Program LATTICE for Calculation of Parameters of Targets with Heterogeneous (Lattice) Structure
Bznuni, S A; Soloviev, A G; Sosnin, A N
2002-01-01
Program LATTICE, with which help it is possible to describe lattice structure for the program complex CASCAD, is created in the C++ language. It is shown that for model-based electronuclear system on a basis of molten salt reactor with graphite moderator at transition from homogeneous structure to heterogeneous at preservation of a chemical compound there is a growth of k_{eff} by approximately 6 %.
Lattice stretching bistability and dynamic heterogeneity
DEFF Research Database (Denmark)
Christiansen, Peter Leth; Savin, A. V.; Zolotaryuk, A. V.
2012-01-01
between the bistable ground states. However, the key point of the model is the appearance of a heterogenous structure, when the second-neighbor coupling is sufficiently weak. In this case, a part of the chain has short bonds with a single-well potential, whereas the complementary part admits strongly...
Nucleon structure from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Dinter, Simon
2012-11-13
In this thesis we compute within lattice QCD observables related to the structure of the nucleon. One part of this thesis is concerned with moments of parton distribution functions (PDFs). Those moments are essential elements for the understanding of nucleon structure and can be extracted from a global analysis of deep inelastic scattering experiments. On the theoretical side they can be computed non-perturbatively by means of lattice QCD. However, since the time lattice calculations of moments of PDFs are available, there is a tension between these lattice calculations and the results from a global analysis of experimental data. We examine whether systematic effects are responsible for this tension, and study particularly intensively the effects of excited states by a dedicated high precision computation. Moreover, we carry out a first computation with four dynamical flavors. Another aspect of this thesis is a feasibility study of a lattice QCD computation of the scalar quark content of the nucleon, which is an important element in the cross-section of a heavy particle with the nucleon mediated by a scalar particle (e.g. Higgs particle) and can therefore have an impact on Dark Matter searches. Existing lattice QCD calculations of this quantity usually have a large error and thus a low significance for phenomenological applications. We use a variance-reduction technique for quark-disconnected diagrams to obtain a precise result. Furthermore, we introduce a new stochastic method for the calculation of connected 3-point correlation functions, which are needed to compute nucleon structure observables, as an alternative to the usual sequential propagator method. In an explorative study we check whether this new method is competitive to the standard one. We use Wilson twisted mass fermions at maximal twist in all our calculations, such that all observables considered here have only O(a{sup 2}) discretization effects.
Hadron structure from lattice QCD
Constantinou, Martha
2017-09-01
More than 99 per cent of the mass of the visible world resides in hadrons which are bound states of quarks and gluons, the fundamental constituents of Quantum Chromodynamics (QCD). The proton is at the heart of the hadronic matter and is an ideal laboratory for studying the QCD dynamics. Lattice QCD (LQCD) is a powerful non-perturbative tool for the ab inition calculation of hadron observables that are well determined experimentally, or not easily accessible in experiment. Progress in the simulation of LQCD has been impressive, mainly due to improvements in the algorithms, development of new techniques and increase in computational power, that have enabled simulations to be carried out at parameters very close to their physical values. In this talk I will present recent developments in hadron structure focusing on achievements in the evaluation of nucleon quantities, such as the nucleon charges, form factors, and gluonic contributions, in view of simulations close or at the physical value of the pion mass. I will also discuss the enormous efforts towards a new direct approach to compute quark parton distributions functions on the lattice. Work partly supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, within the framework of the TMD Topical Collaboration.
Localized structures in Kagome lattices
Energy Technology Data Exchange (ETDEWEB)
Saxena, Avadh B [Los Alamos National Laboratory; Bishop, Alan R [Los Alamos National Laboratory; Law, K J H [UNIV OF MASSACHUSETTS; Kevrekidis, P G [UNIV OF MASSACHUSETTS
2009-01-01
We investigate the existence and stability of gap vortices and multi-pole gap solitons in a Kagome lattice with a defocusing nonlinearity both in a discrete case and in a continuum one with periodic external modulation. In particular, predictions are made based on expansion around a simple and analytically tractable anti-continuum (zero coupling) limit. These predictions are then confirmed for a continuum model of an optically-induced Kagome lattice in a photorefractive crystal obtained by a continuous transformation of a honeycomb lattice.
Sagar, Vidya R; Prasad, Raghu BK
2009-01-01
In this paper, numerical modelling of fracture in concrete using two-dimensional lattice model is presented and also a few issues related to lattice modelling technique applicable to concrete fracture are reviewed. A comparison is made with acoustic emission (AE) events with the number of fractured elements. To implement the heterogeneity of the plain concrete, two methods namely, by generating grain structure of the concrete using Fuller's distribution and the concrete material properties ar...
Titanium-silicon carbide composite lattice structures
Moongkhamklang, Pimsiree
Sandwich panel structures with stiff, strong face sheets and lightweight cellular cores are widely used for weight sensitive, bending dominated loading applications. The flexural stiffness and strength of a sandwich panel is determined by the stiffness, strength, thickness, and separation of the face sheets, and by the compressive and shear stiffness and strength of the cellular core. Panel performance can be therefore optimized using cores with high specific stiffness and strength. The specific stiffness and strength of all cellular materials depends upon the specific elastic modulus and strength of the material used to make the structure. The stiffest and strongest cores for ambient temperature applications utilize carbon fiber reinforced polymer (CFRP) honeycombs and lattice structures. Few options exist for lightweight sandwich panels intended for high temperature uses. High temperature alloys such as Ti-6A1-4V can be applied to SiC monofilaments to create very high specific modulus and strength fibers. These are interesting candidates for the cores of elevated temperature sandwich structures such as the skins of hypersonic vehicles. This dissertation explores the potential of sandwich panel concepts that utilize millimeter scale titanium matrix composite (TMC) lattice structures. A method has been developed for fabricating millimeter cell size cellular lattice structures with the square or diamond collinear truss topologies from 240 mum diameter Ti-6A1-4V coated SiC monofilaments (TMC monofilaments). Lattices with relative densities in the range 10% to 20% were manufactured and tested in compression and shear. Given the very high compressive strength of the TMC monofilaments, the compressive strengths of both the square and diamond lattices were dominated by elastic buckling of the constituent struts. However, under shear loading, some of the constituent struts of the lattices are subjected to tensile stresses and failure is then set by tensile failure of the
Pion structure from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Javadi Motaghi, Narjes
2015-05-12
In this thesis we use lattice QCD to compute the second Mellin moments of pion generalized parton distributions and pion electromagnetic form factors. For our calculations we are able to analyze a large set of gauge configurations with 2 dynamical flavours using non-perturbatively the improved Wilson-Sheikholeslami-Wohlert fermionic action pion masses ranging down to 151 MeV. By employing improved smearing we were able to suppress excited state contamination. However, our data in the physical quark mass limit show that some excited state contamination remains. We show the non-zero sink momentum is optimal for the computation of the electromagnetic form factors and generalized form factors at finite momenta.
Modelling heterogeneity of concrete using 2D lattice network for ...
Indian Academy of Sciences (India)
attention in theoretical physics. But the basic idea related to lattice model is an .... region (middle 1/3rd span of the TPB specimen) where the fracture is expected. The rest of the region of the TPB ..... Figure 7. Representing beam with lattice members (L = length of the beam, S = span of the beam and d = depth of the beam).
Modelling heterogeneity of concrete using 2D lattice network for ...
Indian Academy of Sciences (India)
In this paper, numerical modelling of fracture in concrete using two-dimensional lattice model is presented and also a few issues related to lattice modelling technique applicable to concrete fracture are reviewed. A comparison is made with acoustic emission (AE) events with the number of fractured elements. To implement ...
Lattice QCD Calculation of Nucleon Structure
Energy Technology Data Exchange (ETDEWEB)
Liu, Keh-Fei [University of Kentucky, Lexington, KY (United States). Dept. of Physics and Astronomy; Draper, Terrence [University of Kentucky, Lexington, KY (United States). Dept. of Physics and Astronomy
2016-08-30
It is emphasized in the 2015 NSAC Long Range Plan that "understanding the structure of hadrons in terms of QCD's quarks and gluons is one of the central goals of modern nuclear physics." Over the last three decades, lattice QCD has developed into a powerful tool for ab initio calculations of strong-interaction physics. Up until now, it is the only theoretical approach to solving QCD with controlled statistical and systematic errors. Since 1985, we have proposed and carried out first-principles calculations of nucleon structure and hadron spectroscopy using lattice QCD which entails both algorithmic development and large-scale computer simulation. We started out by calculating the nucleon form factors -- electromagnetic, axial-vector, πNN, and scalar form factors, the quark spin contribution to the proton spin, the strangeness magnetic moment, the quark orbital angular momentum, the quark momentum fraction, and the quark and glue decomposition of the proton momentum and angular momentum. The first round of calculations were done with Wilson fermions in the `quenched' approximation where the dynamical effects of the quarks in the sea are not taken into account in the Monte Carlo simulation to generate the background gauge configurations. Beginning in 2000, we have started implementing the overlap fermion formulation into the spectroscopy and structure calculations. This is mainly because the overlap fermion honors chiral symmetry as in the continuum. It is going to be more and more important to take the symmetry into account as the simulations move closer to the physical point where the u and d quark masses are as light as a few MeV only. We began with lattices which have quark masses in the sea corresponding to a pion mass at ~ 300 MeV and obtained the strange form factors, charm and strange quark masses, the charmonium spectrum and the D_{s} meson decay constant f_{Ds}, the strangeness and charmness, the meson mass
Lattice Boltzmann Model for Electronic Structure Simulations
Mendoza, M; Succi, S
2015-01-01
Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a suitable single-particle kinetic equation. By using a discrete version of this new formalism, the exchange and correlation energies of simple atoms and the geometrical configuration of the methane molecule were calculated accurately. Here, we discuss the main ideas behind the lattice kinetic approach to electronic structure computations, offer some considerations for prospective extensions, and also show additional numerical results, namely the geometrical configuration of the water molecule.
Thin-walled reinforcement lattice structure for hollow CMC buckets
Energy Technology Data Exchange (ETDEWEB)
de Diego, Peter
2017-06-27
A hollow ceramic matrix composite (CMC) turbine bucket with an internal reinforcement lattice structure has improved vibration properties and stiffness. The lattice structure is formed of thin-walled plies made of CMC. The wall structures are arranged and located according to high stress areas within the hollow bucket. After the melt infiltration process, the mandrels melt away, leaving the wall structure to become the internal lattice reinforcement structure of the bucket.
The Developement of A Lattice Structured Database
DEFF Research Database (Denmark)
Bruun, Hans
to a given set of inserted terms, that is the smallest lattice where the inserted terms preserve their value compared to the value in the initial algebra/lattice. The database is the dual representation of this most disjoint lattice. We develop algorithms to construct and make queries to the database....
Lattice structures integration with conventional topology optimization
Calabrese, M.; Primo, T.; Del Prete, A.
2017-10-01
Additive manufacturing (AM) processes enable the production of functional parts with complex geometries, multi-materials as well as individualized mass production. Another significant benefit of AM is the ability to produce optimized geometries with near perfect strength to weight ratios. For several years now, the topology optimization techniques assist the designers in order to develop components that have a good material distribution in order to reduce the weight ensuring the request stiffness. Therefore, the topology optimization generates concepts based on the subtractive approach and usually these geometries require a further post processing in order to obtain a geometry "ready to produce" that represents a compromise between the topologic result and the manufacturing constraints. The advent of the AM opens new scenarios in terms of definition of innovative geometries that are not feasible with the conventional processes (such as lattice structures). In order to exploit the AM capabilities, new topology optimization tools are emerging that allow to define innovative concepts that could reach structural performance greater than the result obtainable with conventional topology optimization. In this paper the Authors have studied a new concept design and the performance improvement, of PIN installation equipment, used for thin-walled aerospace workpiece, in order to solve critical dimensioning issues, due to the overcoming of the allowable range tolerances (strain and displacement). Topology optimization has been applied in order to define a new concept design able to satisfy the functionality requirements. Moreover, it has been conducted a study to evaluate the possible advantages offered by the integration of the lattice structure in the topology design in order to improve the performance in terms of weight and structural characteristics.
[Lattice structure antacids and antacid mixtures].
Miederer, S E; Schmidt, C
1987-08-01
In the last years the importance of the evaluation of antacid compounds according to their neutralizing capacity decreased. Clinical investigations have shown that antacid mixtures of aluminum-magnesium hydroxide healed gastric an duodenal ulcers (neutralizing capacity 100-150 mmol/day) as well as H2 receptor antagonists and better than a placebo. By this the necessary daily dosage could be reduced essentially. This paper presents studies showing that lattice like structured antacids (e.g. Magaldrate) healed gastric and duodenal ulcers (neutralizing capacity 100-350 mmol/day) as well as Ranitidine (150 mg b.d.). Maintenance therapy should be evaluated critically because sufficient data are not available and mineral metabolism is changed significantly by extremely small dosages of aluminium-magnesium hydroxide antacids even in patients with normal kidney function.
Chaos in the band structure of a soft Sinai lattice
Porter, Max D.; Barr, Aaron; Barr, Ariel; Reichl, L. E.
2017-05-01
We study the effect of broken spatial and dynamical symmetries on the band structure of two lattices with unit cells that are soft versions of the classic Sinai billiard. We find significant signatures of chaos in the band structure of these lattices, in energy regimes where the underlying classical unit cell undergoes a transition to chaos. Broken dynamical symmetries and the presence of chaos can diminish the feasibility of changing and controlling band structure in a wide variety of two-dimensional lattice-based devices, including two-dimensional solids, optical lattices, and photonic crystals.
Determining the Mechanical Properties of Lattice Block Structures
Wilmoth, Nathan
2013-01-01
Lattice block structures and shape memory alloys possess several traits ideal for solving intriguing new engineering problems in industries such as aerospace, military, and transportation. Recent testing at the NASA Glenn Research Center has investigated the material properties of lattice block structures cast from a conventional aerospace titanium alloy as well as lattice block structures cast from nickel-titanium shape memory alloy. The lattice block structures for both materials were sectioned into smaller subelements for tension and compression testing. The results from the cast conventional titanium material showed that the expected mechanical properties were maintained. The shape memory alloy material was found to be extremely brittle from the casting process and only compression testing was completed. Future shape memory alloy lattice block structures will utilize an adjusted material composition that will provide a better quality casting. The testing effort resulted in baseline mechanical property data from the conventional titanium material for comparison to shape memory alloy materials once suitable castings are available.
Pawlak algebra and approximate structure on fuzzy lattice.
Zhuang, Ying; Liu, Wenqi; Wu, Chin-Chia; Li, Jinhai
2014-01-01
The aim of this paper is to investigate the general approximation structure, weak approximation operators, and Pawlak algebra in the framework of fuzzy lattice, lattice topology, and auxiliary ordering. First, we prove that the weak approximation operator space forms a complete distributive lattice. Then we study the properties of transitive closure of approximation operators and apply them to rough set theory. We also investigate molecule Pawlak algebra and obtain some related properties.
Directory of Open Access Journals (Sweden)
Martin Gregory T
2004-11-01
Full Text Available Abstract Background Investigation of bioheat transfer problems requires the evaluation of temporal and spatial distributions of temperature. This class of problems has been traditionally addressed using the Pennes bioheat equation. Transport of heat by conduction, and by temperature-dependent, spatially heterogeneous blood perfusion is modeled here using a transport lattice approach. Methods We represent heat transport processes by using a lattice that represents the Pennes bioheat equation in perfused tissues, and diffusion in nonperfused regions. The three layer skin model has a nonperfused viable epidermis, and deeper regions of dermis and subcutaneous tissue with perfusion that is constant or temperature-dependent. Two cases are considered: (1 surface contact heating and (2 spatially distributed heating. The model is relevant to the prediction of the transient and steady state temperature rise for different methods of power deposition within the skin. Accumulated thermal damage is estimated by using an Arrhenius type rate equation at locations where viable tissue temperature exceeds 42°C. Prediction of spatial temperature distributions is also illustrated with a two-dimensional model of skin created from a histological image. Results The transport lattice approach was validated by comparison with an analytical solution for a slab with homogeneous thermal properties and spatially distributed uniform sink held at constant temperatures at the ends. For typical transcutaneous blood gas sensing conditions the estimated damage is small, even with prolonged skin contact to a 45°C surface. Spatial heterogeneity in skin thermal properties leads to a non-uniform temperature distribution during a 10 GHz electromagnetic field exposure. A realistic two-dimensional model of the skin shows that tissue heterogeneity does not lead to a significant local temperature increase when heated by a hot wire tip. Conclusions The heat transport system model of the
Skyrmion lattice structural transition in MnSi.
Nakajima, Taro; Oike, Hiroshi; Kikkawa, Akiko; Gilbert, Elliot P; Booth, Norman; Kakurai, Kazuhisa; Taguchi, Yasujiro; Tokura, Yoshinori; Kagawa, Fumitaka; Arima, Taka-Hisa
2017-06-01
Magnetic skyrmions exhibit particle-like properties owing to the topology of their swirling spin texture, providing opportunities to study crystallization of topological particles. However, they mostly end up with a triangular lattice, and thus, the packing degree of freedom in the skyrmion particles has been overlooked so far. We report a structural transition of the skyrmion lattice in MnSi. By use of small-angle neutron scattering, we explore a metastable skyrmion state spreading over a wide temperature and magnetic field region, after thermal quenching. The quenched skyrmions undergo a triangular-to-square lattice transition with decreasing magnetic field at low temperatures. Our study suggests that various skyrmion lattices can emerge at low temperatures, where the skyrmions exhibit distinct topological nature and high sensitivity to the local magnetic anisotropy arising from the underlying chemical lattice.
Designing lattice structures with maximal nearest-neighbor entanglement
Energy Technology Data Exchange (ETDEWEB)
Navarro-Munoz, J C; Lopez-Sandoval, R [Instituto Potosino de Investigacion CientIfica y Tecnologica, Camino a la presa San Jose 2055, 78216 San Luis Potosi (Mexico); Garcia, M E [Theoretische Physik, FB 18, Universitaet Kassel and Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), Heinrich-Plett-Str.40, 34132 Kassel (Germany)
2009-08-07
In this paper, we study the numerical optimization of nearest-neighbor concurrence of bipartite one- and two-dimensional lattices, as well as non-bipartite two-dimensional lattices. These systems are described in the framework of a tight-binding Hamiltonian while the optimization of concurrence was performed using genetic algorithms. Our results show that the concurrence of the optimized lattice structures is considerably higher than that of non-optimized systems. In the case of one-dimensional chains, the concurrence increases dramatically when the system begins to dimerize, i.e., it undergoes a structural phase transition (Peierls distortion). This result is consistent with the idea that entanglement is maximal or shows a singularity near quantum phase transitions. Moreover, the optimization of concurrence in two-dimensional bipartite and non-bipartite lattices is achieved when the structures break into smaller subsystems, which are arranged in geometrically distinguishable configurations.
Ab initio Hadron structure from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
J.D. Bratt; R.G. Edwards; M. Engelhardt; G.T. Fleming; Ph. Hägler; B. Musch; J.W. Negele; K. Orginos; A.V. Pochinsky; D.B. Renner; D.G. Richards; W. Schroers
2007-06-01
Early scattering experiments revealed that the proton was not a point particle but a bound state of many quarks and gluons. Deep inelastic scattering (DIS) experiments have accurately determined the probability of struck quarks carrying a fraction of the proton's momentum. The current generation of experiments and Lattice QCD calculations will provide detailed multi-dimensional pictures of the distributions of quarks and gluons inside the proton.
Detection of structural heterogeneity of glass melts
DEFF Research Database (Denmark)
Yue, Yuanzheng
2004-01-01
The structural heterogeneity of both supercooled liquid and molten states of silicate has been studied using calorimetric method. The objects of this study are basaltic glasses and liquids. Two experimental approaches are taken to detect the structural heterogeneity of the liquids. One is the hyp......The structural heterogeneity of both supercooled liquid and molten states of silicate has been studied using calorimetric method. The objects of this study are basaltic glasses and liquids. Two experimental approaches are taken to detect the structural heterogeneity of the liquids. One...... is discussed. The ordered structure of glass melts above the liquidus temperature is indirectly characterized by use of X-ray diffraction method. The new approaches are of importance for monitoring the glass melting and forming process and for improving the physical properties of glasses and glass fibers....
Grayscale lattice Boltzmann model for multiphase heterogeneous flow through porous media.
Pereira, Gerald G
2016-06-01
The grayscale lattice Boltzmann (LB) model has been recently developed to model single-phase fluid flow through heterogeneous porous media. Flow is allowed in each voxel but the degree of flow depends on that voxel's resistivity to fluid motion. Here we extend the grayscale LB model to multiphase, immiscible flow. The new model is outlined and then applied to a number of test cases, which show good agreement with theory. This method is subsequently used to model the important case where each voxel may have a different resistance to each particular fluid that is passing through it. Finally, the method is applied to model fluid flow through real porous media to demonstrate its capability. Both the capillary and viscous flow regimes are recovered in these simulations.
Multiscale Lattice Boltzmann method for flow simulations in highly heterogenous porous media
Li, Jun
2013-01-01
A lattice Boltzmann method (LBM) for flow simulations in highly heterogeneous porous media at both pore and Darcy scales is proposed in the paper. In the pore scale simulations, flow of two phases (e.g., oil and gas) or two immiscible fluids (e.g., water and oil) are modeled using cohesive or repulsive forces, respectively. The relative permeability can be computed using pore-scale simulations and seamlessly applied for intermediate and Darcy-scale simulations. A multiscale LBM that can reduce the computational complexity of existing LBM and transfer the information between different scales is implemented. The results of coarse-grid, reduced-order, simulations agree very well with the averaged results obtained using fine grid.
Nucleon structure functions from lattice operator product expansion
Energy Technology Data Exchange (ETDEWEB)
Chambers, A.J.; Somfleth, K.; Young, R.D.; Zanotti, J.M. [Adelaide Univ., SA (Australia). CSSM, Dept. of Physics; Horsley, R. [Edinburgh Univ. (United Kingdom). School of Physics and Astronomy; Nakamura, Y. [RIKEN Advanced Institute for Computational Science, Kobe (Japan); Perlt, H.; Schiller, A. [Leipzig Univ. (Germany). Inst. fuer Theoretische Physik; Rakow, P.E.L. [Liverpool Univ. (United Kingdom). Theoretical Physics Div.; Schierholz, G. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
2017-03-15
Deep-inelastic scattering, in the laboratory and on the lattice, is most instructive for understanding how the nucleon is built from quarks and gluons. The long-term goal is to compute the associated structure functions from first principles. So far this has been limited to model calculations. In this Letter we propose a new method to compute the structure functions directly from the virtual, all-encompassing Compton amplitude, utilizing the operator product expansion. This overcomes issues of renormalization and operator mixing, which so far have hindered lattice calculations of power corrections and higher moments.
Shock wave structure in heterogeneous reactive media
Energy Technology Data Exchange (ETDEWEB)
Baer, M.R.
1997-06-01
Continuum mixture theory and mesoscale modeling are applied to describe the behavior of shock-loaded heterogeneous media. One-dimensional simulations of gas-gun experiments demonstrate that the wave features are well described by mixture theory, including reflected wave behavior and conditions where significant reaction is initiated. Detailed wave fields are resolved in numerical simulations of impact on a lattice of discrete explosive {open_quotes}crystals{close_quotes}. It is shown that rapid distortion first occurs at material contact points; the nature of the dispersive fields includes large amplitude fluctuations of stress over several particle pathlengths. Localization of energy causes {open_quotes}hot-spots{close_quotes} due to shock focusing and plastic work as material flows into interstitial regions.
STRUCTURAL DEGRADATION OF HETEROGENEOUS WELDED JOINTS
Directory of Open Access Journals (Sweden)
Eva Schmidová
2012-10-01
Full Text Available Developing the techniques of welding materials with higher dynamic strength onto the rolling surfaces of rails is one of the options for increasing their operational endurance. The subject of this paper is an analysis of heterogeneous weld joints experimentally manufactured by welding medium-carbon austenitic steels onto high-carbon unalloyed pearlitic steels. The analyses focus on examinations of the marginal mixing of the materials at the fusion line and the circumstances under which intercrystalline cracks form in the weld deposit layers. Structural analyses, chemical microanalyses and a hardness assessment were performed in order to identify the corresponding structural changes. The proportion of zonal vs. interdendritic segregation of the alloying elements in the degradation of the welded joint was distinguished. We described the nature of the structural heterogeneities produced, locally connected with the martensitic transformation. The chemical heterogeneity leading to the formation of martensite at grain boundaries was identified as the limiting effect.
Structural degradation of heterogeneous welded joints
Directory of Open Access Journals (Sweden)
Eva Schmidová
2012-09-01
Full Text Available Developing the techniques of welding materials with higher dynamic strength onto the rolling surfaces of rails is one of the options for increasing their operational endurance. The subject of this paper is an analyses of heterogeneous weld interfaces experimentally manufactured by welding medium-carbon austenitic steels onto high-carbon unalloyed pearlitic steels. The analyses focus on examinations of the marginal mixing of the materials at the weld interface and the circumstances under which intercrystalline cracks form in the weld deposit layers. Structural analyses, chemical microanalyses and a hardness assessment were performed in order to identify the corresponding structural changes. The proportion of zonal vs. interdendritic segregation of the alloying elements in the degradation of the welded joint was distinguished. We described the nature of the structural heterogeneities produced, locally connected with the martensitic transformation. The chemical heterogeneity leading to the formation of martensite at grain boundaries was identified as the limiting effect.
Flavivirus structural heterogeneity: implications for cell entry.
Rey, Félix A; Stiasny, Karin; Heinz, Franz X
2017-06-01
The explosive spread of Zika virus is the most recent example of the threat imposed to human health by flaviviruses. High-resolution structures are available for several of these arthropod-borne viruses, revealing alternative icosahedral organizations of immature and mature virions. Incomplete proteolytic maturation, however, results in a cloud of highly heterogeneous mosaic particles. This heterogeneity is further expanded by a dynamic behavior of the viral envelope glycoproteins. The ensemble of heterogeneous and dynamic infectious particles circulating in infected hosts offers a range of alternative possible receptor interaction sites at their surfaces, potentially contributing to the broad flavivirus host-range and variation in tissue tropism. The potential synergy between heterogeneous particles in the circulating cloud thus provides an additional dimension to understand the unanticipated properties of Zika virus in its recent outbreaks. Copyright © 2017 Elsevier B.V. All rights reserved.
DESIGN AND NUMERICAL VALIDATION OF A LATTICE FUSELAGE STRUCTURE CONCEPT
Niemann, Steffen; Kolesnikov, Boris; Hühne, Christian; Ludwig, Thomas
2013-01-01
This paper reports on results of a conceptual design phase of a collaborative research programme (EU-ALaSCA) aimed at the development of manufacture-optimized lattice fuselage structures satisfying fundamental requirements of airworthiness. An alternative fuselage structure design concept was developed for a single aisle, short and mid-range aircraft. The primary structure consists of inner and outer helical stringers with small angle to the axial direction, forming a grid arrangement, a...
Some recent work on lattice structures for digital signal processing
Indian Academy of Sciences (India)
Abstract. This paper is concerned with a review of some recent work on derivation and synthesis of lattice structures for digital signal processing (DSP). ... (SFS), Aurobindo Marg, New Delhi 110 016, India Formerly with the Department of Electrical Engineering, Indian Institute of Technology Delhi, New Delhi 110 016, India ...
Quaternionic Lattice Structures for Four-Channel Paraunitary Filter Banks
Directory of Open Access Journals (Sweden)
Parfieniuk Marek
2007-01-01
Full Text Available A novel approach to the design and implementation of four-channel paraunitary filter banks is presented. It utilizes hypercomplex number theory, which has not yet been employed in these areas. Namely, quaternion multipliers are presented as alternative paraunitary building blocks, which can be regarded as generalizations of Givens (planar rotations. The corresponding quaternionic lattice structures maintain losslessness regardless of coefficient quantization and can be viewed as extensions of the classic two-band lattice developed by Vaidyanathan and Hoang. Moreover, the proposed approach enables a straightforward expression of the one-regularity conditions. They are stated in terms of the lattice coefficients, and thus can be easily satisfied even in finite-precision arithmetic.
Titanium alloy lattice structures with millimeter scale cell sizes
Energy Technology Data Exchange (ETDEWEB)
Moongkhamklang, Pimsiree; Wadley, Haydn N.G. [Department of Materials Science and Engineering, University of Virginia Charlottesville, VA 22904-4745 (United States)
2010-11-15
Titanium sandwich panels with cellular cores of a uniform 1-5 mm diameter open cell size are well suited for impact energy absorption and cross flow heat exchange applications. Periodic cellular structures (lattices) made from high specific strength, high temperature alloys are preferred for these multifunctional uses. A diffusion bonding method has been applied here to make cellular lattice structures from a Ti-6A1-4V alloy. To illustrate the approach, lattice structures with both square and diamond collinear topologies, a 2 mm open cell size, and a relative density of 15% were made from 254 {mu}m diameter titanium alloy wires. These structures were found to have a compressive strength of 40 {+-} 5 MPa that was controlled by plastic yield followed by buckling of the struts. The cellular structures have been brazed to titanium alloy face sheets to create sandwich panel structures that appear well suited for multifunctional applications up to 420 C. (Copyright copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Upscaled Lattice Boltzmann Method for Simulations of Flows in Heterogeneous Porous Media
Li, Jun
2017-02-16
An upscaled Lattice Boltzmann Method (LBM) for flow simulations in heterogeneous porous media at the Darcy scale is proposed in this paper. In the Darcy-scale simulations, the Shan-Chen force model is used to simplify the algorithm. The proposed upscaled LBM uses coarser grids to represent the average effects of the fine-grid simulations. In the upscaled LBM, each coarse grid represents a subdomain of the fine-grid discretization and the effective permeability with the reduced-order models is proposed as we coarsen the grid. The effective permeability is computed using solutions of local problems (e.g., by performing local LBM simulations on the fine grids using the original permeability distribution) and used on the coarse grids in the upscaled simulations. The upscaled LBM that can reduce the computational cost of existing LBM and transfer the information between different scales is implemented. The results of coarse-grid, reduced-order, simulations agree very well with averaged results obtained using a fine grid.
Upscaled Lattice Boltzmann Method for Simulations of Flows in Heterogeneous Porous Media
Directory of Open Access Journals (Sweden)
Jun Li
2017-01-01
Full Text Available An upscaled Lattice Boltzmann Method (LBM for flow simulations in heterogeneous porous media at the Darcy scale is proposed in this paper. In the Darcy-scale simulations, the Shan-Chen force model is used to simplify the algorithm. The proposed upscaled LBM uses coarser grids to represent the average effects of the fine-grid simulations. In the upscaled LBM, each coarse grid represents a subdomain of the fine-grid discretization and the effective permeability with the reduced-order models is proposed as we coarsen the grid. The effective permeability is computed using solutions of local problems (e.g., by performing local LBM simulations on the fine grids using the original permeability distribution and used on the coarse grids in the upscaled simulations. The upscaled LBM that can reduce the computational cost of existing LBM and transfer the information between different scales is implemented. The results of coarse-grid, reduced-order, simulations agree very well with averaged results obtained using a fine grid.
Lattice Modeling of Early-Age Behavior of Structural Concrete
Pan, Yaming; Prado, Armando; Porras, Rocío; Hafez, Omar M.; Bolander, John E.
2017-01-01
The susceptibility of structural concrete to early-age cracking depends on material composition, methods of processing, structural boundary conditions, and a variety of environmental factors. Computational modeling offers a means for identifying primary factors and strategies for reducing cracking potential. Herein, lattice models are shown to be adept at simulating the thermal-hygral-mechanical phenomena that influence early-age cracking. In particular, this paper presents a lattice-based approach that utilizes a model of cementitious materials hydration to control the development of concrete properties, including stiffness, strength, and creep resistance. The approach is validated and used to simulate early-age cracking in concrete bridge decks. Structural configuration plays a key role in determining the magnitude and distribution of stresses caused by volume instabilities of the concrete material. Under restrained conditions, both thermal and hygral effects are found to be primary contributors to cracking potential. PMID:28772590
Resolution of structural heterogeneity in dynamic crystallography.
Ren, Zhong; Chan, Peter W Y; Moffat, Keith; Pai, Emil F; Royer, William E; Šrajer, Vukica; Yang, Xiaojing
2013-06-01
Dynamic behavior of proteins is critical to their function. X-ray crystallography, a powerful yet mostly static technique, faces inherent challenges in acquiring dynamic information despite decades of effort. Dynamic `structural changes' are often indirectly inferred from `structural differences' by comparing related static structures. In contrast, the direct observation of dynamic structural changes requires the initiation of a biochemical reaction or process in a crystal. Both the direct and the indirect approaches share a common challenge in analysis: how to interpret the structural heterogeneity intrinsic to all dynamic processes. This paper presents a real-space approach to this challenge, in which a suite of analytical methods and tools to identify and refine the mixed structural species present in multiple crystallographic data sets have been developed. These methods have been applied to representative scenarios in dynamic crystallography, and reveal structural information that is otherwise difficult to interpret or inaccessible using conventional methods.
Capturing Structural Heterogeneity in Chromatin Fibers.
Ekundayo, Babatunde; Richmond, Timothy J; Schalch, Thomas
2017-10-13
Chromatin fiber organization is implicated in processes such as transcription, DNA repair and chromosome segregation, but how nucleosomes interact to form higher-order structure remains poorly understood. We solved two crystal structures of tetranucleosomes with approximately 11-bp DNA linker length at 5.8 and 6.7 Å resolution. Minimal intramolecular nucleosome-nucleosome interactions result in a fiber model resembling a flat ribbon that is compatible with a two-start helical architecture, and that exposes histone and DNA surfaces to the environment. The differences in the two structures combined with electron microscopy reveal heterogeneous structural states, and we used site-specific chemical crosslinking to assess the diversity of nucleosome-nucleosome interactions through identification of structure-sensitive crosslink sites that provide a means to characterize fibers in solution. The chromatin fiber architectures observed here provide a basis for understanding heterogeneous chromatin higher-order structures as they occur in a genomic context. Copyright © 2017 Elsevier Ltd. All rights reserved.
Applications of lattice method in the simulation of crack path in heterogeneous materials
Directory of Open Access Journals (Sweden)
L. E. Kosteski
2015-10-01
Full Text Available The simulation of critical and subcritical crack propagation in heterogeneous materials is not a simple problem in computational mechanics. These topics can be studied with different theoretical tools. In the crack propagation problem it is necessary to lead on the interface between the continuum and the discontinuity, and this region has different characteristics when we change the scale level point of view. In this context, this work applies a version of the lattice discrete element method (LDEM in the study of such matters. This approach lets us to discretize the continuum with a regular tridimensional truss where the elements have an equivalent stiffness consistent with the material one wishes to model. The masses are lumped in the nodes and an uni-axial bilinear relation, inspired in the Hilleborg constitutive law, is assumed for the elements. The random characteristics of the material are introduced in the model considering the material toughness as a random field with defined statistical properties. It is important to highlight that the energy balance consistence is maintained during all the process. The spatial discretization lets us arrive to a motion equation that can be solved using an explicit scheme of integration on time. Two examples are shown in the present paper; one of them illustrates the possibilities of this method in simulating critical crack propagation in a solid mechanics problem: a simple geometry of grade material. In the second example, a simulation of subcritical crack growth is presented, when a pre-fissured quasi-brittle body is submitted to cyclic loading. In this second example, a strategy to measure crack advance in the model is proposed. Finally, obtained results and the performance of the model are discussed.
Nucleon Structure and Hyperon Form Factors from Lattice QCD.
Energy Technology Data Exchange (ETDEWEB)
Lin,H.W.
2007-06-11
In this work, I report the latest lattice QCD calculations of nucleon and hyperon structure from chiral fermions in 2+1-flavor dynamical simulations. All calculations are done with a chirally symmetric fermion action, domain-wall fermions, for valence quarks. I begin with the latest lattice results on the nucleon structure, focusing on results from RBC/UKQCD using 2+1-flavor chiral fermion actions. We find the chiral-extrapolated axial coupling constant at physical pion mass point. to be 1.23(5), consistent with experimental value. The renormalization constants for the structure functions are obtained from RI/MOM-scheme non-perturbative renormalization. We find first moments of the polarized and unpolarized nucleon structure functions at zero transfer momentum to be 0.133(13) and 0.203(23) respectively, using continuum chiral extrapolation. These are consistent with the experimental values, unlike previous calculations which have been 50% larger. We also have a prediction for the transversity, which we find to be 0.56(4). The twist-3 matrix element is consistent with zero which agrees with the prediction of the Wandzura-Wilczek relation. In the second half of this work, I report an indirect dynamical estimation of the strangeness proton magnetic moments using mixed actions. With the analysis of hyperon form factors and using charge symmetry, the strangeness of proton is found to be -0.066(2G), consistent with the Adelaide-JLab Collaboration's result. The hyperon {Sigma} and {Xi} axial coupling constants are also performed for the first time in a lattice calculation, g{sub {Sigma}{Sigma}} = 0.441(14) and g{sub {Xi}{Xi}} = -0.277(11).
Nucleon Structure and hyperon form factors from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Lin, Huey-Wen
2007-06-11
In this work, I report the latest lattice QCD calculations of nucleon and hyperon structure from chiral fermions in 2+1-flavor dynamical simulations. All calculations are done with a chirally symmetric fermion action, domain-wall fermions, for valence quarks. I begin with the latest lattice results on the nucleon structure, focusing on results from RBC/UKQCD using 2+1-flavor chiral fermion actions. We find the chiral-extrapolated axial coupling constant at physical pion mass point to be 1.23(5), consistant with experimental value. The renormalization constants for the structure functions are obtained from RI/MOM-scheme non-perturbative renormalization. We find first moments of the polarized and unpolarized nucleon structure functions at zero transfer momentum to be 0.133(13) and 0.203(23) respectively, using continuum chiral extrapolation. These are consistent with the experimental values, unlike previous calculations which have been 50% larger. We also have a prediction for the transversity, which we find to be 0.56(4). The twist-3 matrix element is consistent with zero which agrees with the prediction of the Wandzura-Wilczek relation. In the second half of this work, I report an indirect dynamical estimation of the strangeness proton magnetic moments using mixed actions. With the analysis of hyperon form factors and using charge symmetry, the strangeness of proton is found to be -0.066(26), consistent with the Adelaide-JLab Collaboration's result. The hyperon Sigma and Xi axial coupling constants are also performed for the first time in a lattice calculation, g_SigmaSigma = 0.441(14) and g_XiXi = -0.277(11).
One-dimensional map lattices: Synchronization, bifurcations, and chaotic structures
DEFF Research Database (Denmark)
Belykh, Vladimir N.; Mosekilde, Erik
1996-01-01
The paper presents a qualitative analysis of coupled map lattices (CMLs) for the case of arbitrary nonlinearity of the local map and with space-shift as well as diffusion coupling. The effect of synchronization where, independently of the initial conditions, all elements of a CML acquire uniform...... dynamics is investigated and stable chaotic time behaviors, steady structures, and traveling waves are described. Finally, the bifurcations occurring under the transition from spatiotemporal chaos to chaotic synchronization and the peculiarities of CMLs with specific symmetries are discussed....
Growth, structure and lattice dynamics of rare earth silicide nanostructures
Energy Technology Data Exchange (ETDEWEB)
Seiler, Anja
2015-07-13
In the present thesis the epitaxial growth, crystal structure, stoichiometry, thermal stability and lattice dynamics of self-organized EuSi{sub 2} and DySi{sub 2} films, nanoislands and nanowires are investigated. The rare earth silicide (RESi) nanostructures have attracted considerable interest due to their high conductivity, very low Schottky barrier heights, remarkable chemical stability, self-organization in high area density and defects-free nano-objects with tunable size and shape, and the direct integration into the Si technology. The extensive research is driven by the continuous downscaling of the CMOS electronics that require new approaches in the devices architecture and circuits interconnects. Although RESi nanostructures attracted a lot of interest already several years ago and a lot of research has been done in this field, the lattice dynamics of these materials are still unknown. Recent developments at third generation synchrotron radiation sources have brought their performance to a stage where phonon spectroscopy of nanostructures and thin layers became feasible using nuclear inelastic X-ray scattering. This novel experimental technique is based on the process of phonon-assisted nuclear resonant absorption/emission of X-rays from the nuclei of Moessbauer-active isotopes. The method provides direct access to the phonon density of states (DOS) of the investigated element. Together with the ab initio calculations it was possible to get a comprehensive understanding of the lattice dynamics. EuSi{sub 2} films and nanoislands and DySi{sub 2} films, nanoislands and nanowires have been grown on the vicinal Si(001) surface by molecular beam epitaxy. While DySi{sub 2} was grown following known growth procedures, the growth conditions for EuSi{sub 2} had to be established first. EuSi{sub 2} was grown at two different growth conditions to study the influence of crystal structure and morphology upon different growth temperatures. The structure has been
Dependency Parsing with Lattice Structures for Resource-Poor Languages
Sudprasert, Sutee; Kawtrakul, Asanee; Boitet, Christian; Berment, Vincent
In this paper, we present a new dependency parsing method for languages which have very small annotated corpus and for which methods of segmentation and morphological analysis producing a unique (automatically disambiguated) result are very unreliable. Our method works on a morphosyntactic lattice factorizing all possible segmentation and part-of-speech tagging results. The quality of the input to syntactic analysis is hence much better than that of an unreliable unique sequence of lemmatized and tagged words. We propose an adaptation of Eisner's algorithm for finding the k-best dependency trees in a morphosyntactic lattice structure encoding multiple results of morphosyntactic analysis. Moreover, we present how to use Dependency Insertion Grammar in order to adjust the scores and filter out invalid trees, the use of language model to rescore the parse trees and the k-best extension of our parsing model. The highest parsing accuracy reported in this paper is 74.32% which represents a 6.31% improvement compared to the model taking the input from the unreliable morphosyntactic analysis tools.
Phase structure of lattice N=4 super Yang-Mills
DEFF Research Database (Denmark)
Catterall, Simon; Damgaard, Poul H.; DeGrand, Thomas
2012-01-01
We make a first study of the phase diagram of four-dimensional N = 4 super Yang-Mills theory regulated on a space-time lattice. The lattice formulation we employ is both gauge invariant and retains at all lattice spacings one exactly preserved supersymmetry charge. Our numerical results are consi......We make a first study of the phase diagram of four-dimensional N = 4 super Yang-Mills theory regulated on a space-time lattice. The lattice formulation we employ is both gauge invariant and retains at all lattice spacings one exactly preserved supersymmetry charge. Our numerical results...... are consistent with the existence of a single deconfined phase at all observed values of the bare coupling....
Structure and optical behaviour of cholesteric soliton lattices
Sunil Kumar, P. B.; G.Ranganath
1993-01-01
We consider the elastic instability of a ferrocholesteric induced by a field. In a magnetic field acting perpendicular to twist axis, at low fields we get, a 2 π soliton lattice. Above a threshold field, this will become unstable leading to a π soliton lattice for positive diamagnetic anisotropy [ χa>0] and a N-W soliton lattice χa < 0. We have also studied the optical reflection in such soliton lattices. At fields close to the nematic cholesteric transition point the higher order reflections...
Geometric Lattice Structure of Covering-Based Rough Sets through Matroids
Directory of Open Access Journals (Sweden)
Aiping Huang
2012-01-01
relationship among them. First, a geometric lattice structure of covering-based rough sets is established through the transversal matroid induced by a covering. Then its characteristics, such as atoms, modular elements, and modular pairs, are studied. We also construct a one-to-one correspondence between this type of geometric lattices and transversal matroids in the context of covering-based rough sets. Second, we present three sufficient and necessary conditions for two types of covering upper approximation operators to be closure operators of matroids. We also represent two types of matroids through closure axioms and then obtain two geometric lattice structures of covering-based rough sets. Third, we study the relationship among these three geometric lattice structures. Some core concepts such as reducible elements in covering-based rough sets are investigated with geometric lattices. In a word, this work points out an interesting view, namely, geometric lattice, to study covering-based rough sets.
Structural properties of the lattice heavy quark effective theory
Energy Technology Data Exchange (ETDEWEB)
Mandula, J.E. [Department of Energy, Washington, DC (United States). Div. of High Energy Physics; Ogilvie, M.C. [Department of Physics, Washington University, St. Louis, MO 63130 (United States)
1995-04-01
We discuss two related aspects of the lattice version of the heavy quark effective theory (HQET). They are the effects of heavy quark modes with large momenta, near the boundary of the Brillouin zone, and the renormalization of the lattice HQET. We argue that even though large momentum modes are present, their contributions to heavy-light bound states and perturbative loop integrals are dynamically suppressed and vanish in the continuum limit. We also discuss a new feature of the renormalization of the lattice HQET not present in the continuum theory, namely that the classical velocity is finitely renormalized. ((orig.)).
Structural Properties of the Lattice Heavy Quark Effective Theory
Mandula, Jeffrey E.; Ogilvie, Michael C.
1995-04-01
We discuss two related aspects of the lattice version of the heavy quark effective theory (HQET). They are the effects of heavy quark modes with large momenta, near the boundary of the Brillouin zone, and the renormalization of the lattice HQET. We argue that even though large momentum modes are present, their contributions to heavy-light bound states and perturbative loop integrals are dynamically suppressed and vanish in the continuum limit. We also discuss a new feature of the renormalization of the lattice HQET not present in the continuum theory, namely that the classical velocity is finitely renormalized.
Chiral Effective Theory Methods and their Application to the Structure of Hadrons from Lattice QCD
Shanahan, P E
2016-01-01
For many years chiral effective theory (ChEFT) has enabled and supported lattice QCD calculations of hadron observables by allowing systematic effects from unphysical lattice parameters to be controlled. In the modern era of precision lattice simulations approaching the physical point, ChEFT techniques remain valuable tools. In this review we discuss the modern uses of ChEFT applied to lattice studies of hadron structure in the context of recent determinations of important and topical quantities. We consider muon g-2, strangeness in the nucleon, the proton radius, nucleon polarizabilities, and sigma terms relevant to the prediction of dark-matter-hadron interaction cross-sections, among others.
Laubie, Hadrien; Radjaï, Farhang; Pellenq, Roland; Ulm, Franz-Josef
2017-08-01
Fracture of heterogeneous materials has emerged as a critical issue in many engineering applications, ranging from subsurface energy to biomedical applications, and requires a rational framework that allows linking local fracture processes with global fracture descriptors such as the energy release rate, fracture energy and fracture toughness. This is achieved here by means of a local and a global potential-of-mean-force (PMF) inspired Lattice Element Method (LEM) approach. In the local approach, fracture-strength criteria derived from the effective interaction potentials between mass points are shown to exhibit a scaling commensurable with the energy dissipation of fracture processes. In the global PMF-approach, fracture is considered as a sequence of equilibrium states associated with minimum potential energy states analogous to Griffith's approach. It is found that this global approach has much in common with a Grand Canonical Monte Carlo (GCMC) approach, in which mass points are randomly removed following a maximum dissipation criterion until the energy release rate reaches the fracture energy. The duality of the two approaches is illustrated through the application of the PMF-inspired LEM for fracture propagation in a homogeneous linear elastic solid using different means of evaluating the energy release rate. Finally, by application of the method to a textbook example of fracture propagation in a heterogeneous material, it is shown that the proposed PMF-inspired LEM approach captures some well-known toughening mechanisms related to fracture energy contrast, elasticity contrast and crack deflection in the considered two-phase layered composite material.
Directory of Open Access Journals (Sweden)
Jing Chenchen
2017-01-01
Full Text Available Lattice structure with high strength and low mass using selective laser melting (SLM has been a hot topic. However, there are some problems in the fabrication of lattice structure by SLM. Rod unit is the basic component of lattice structure and its performance affects the whole structure. It is necessary to investigate the influence of selective laser melting on rod unit’s mechanical properties. A series of rod units with different inclination angle and diameter were fabricated by SLM in this research. And the mechanical properties of these units were measured by tensile test. The results show that the rod units with different diameters and inclination angles have good mechanical properties and show no difference. It is a good news for lattice structure designing for there is no necessary to consider the mechanical properties’ anisotropy of rod units.
Chen, Yuntian; Zhang, Yan; Femius Koenderink, A
2017-09-04
We study semi-analytically the light emission and absorption properties of arbitrary stratified photonic structures with embedded two-dimensional magnetoelectric point scattering lattices, as used in recent plasmon-enhanced LEDs and solar cells. By employing dyadic Green's function for the layered structure in combination with the Ewald lattice summation to deal with the particle lattice, we develop an efficient method to study the coupling between planar 2D scattering lattices of plasmonic, or metamaterial point particles, coupled to layered structures. Using the 'array scanning method' we deal with localized sources. Firstly, we apply our method to light emission enhancement of dipole emitters in slab waveguides, mediated by plasmonic lattices. We benchmark the array scanning method against a reciprocity-based approach to find that the calculated radiative rate enhancement in k-space below the light cone shows excellent agreement. Secondly, we apply our method to study absorption-enhancement in thin-film solar cells mediated by periodic Ag nanoparticle arrays. Lastly, we study the emission distribution in k-space of a coupled waveguide-lattice system. In particular, we explore the dark mode excitation on the plasmonic lattice using the so-called array scanning method. Our method could be useful for simulating a broad range of complex nanophotonic structures, i.e., metasurfaces, plasmon-enhanced light emitting systems and photovoltaics.
Generating a hexagonal lattice wave-field with a gradient basis structure
Kumar, Manish
2016-01-01
We present a new, single step approach for generating a hexagonal lattice wave-field with a gradient local basis structure. We incorporate this by coherently superposing two (or more) hexagonal lattice wave-fields which differ in their basis structures. The basis of the resultant lattice wave-field is highly dependent on the relative strengths of constituent wave-fields and a desired spatial modulation of basis structure is thus obtained by controlling the spatial modulation of relative strengths of constituent wave-fields. The experimental realization of gradient lattice is achieved by using a phase only spatial light modulator (SLM) in an optical 4f Fourier filter setup where the SLM is displayed with numerically calculated gradient phase mask. The presented method is wavelength independent and is completely scalable making it very promising for micro-fabrication of corresponding structures.
Heterogeneous batch structures in throughput scheduling
Weeda, P.J.; Weeda, P.J.
1993-01-01
Recently a few papers appeared on throughput scheduling, dealing with the relationship between batch structure and process structure in discrete batch production, while maximizing time-constrained throughput. Results have been concentrated on the class of homogeneous batch structures, i.e. batch
Three-Dimensional Lattice Structure Formed in a Binary System with DNA Nanoparticles
Kawasaki, Keno; Katsuno, Hiroyasu; Sato, Masahide
2017-06-01
Keeping the formation of lattice structures by nanoparticles covered with DNA in mind, we carry out Brownian dynamics simulations and study three-dimensional lattice structures formed by two species of particles. In our previous study [H. Katsuno, Y. Maegawa, and M. Sato, J. Phys. Soc. Jpn. 85, 074605 (2016)], we used the Lennard-Jones potential and studied two-dimensional structures formed in a binary system. When the interaction length between the different species, σ', is shorter than that between the same species, σ, the lattice structure changes with the ratio σ'/σ. In this paper, we use the same potential and study the formation of three-dimensional structures. With decreasing ratio σ'/σ, the mixture of the face-centered-cubic (fcc) structure and hexagonal-close-packed (hcp) structure is changed to the body-centered-cubic (bcc) structure and the NaCl structure.
Evolutionary game dynamics in populations with heterogenous structures.
Directory of Open Access Journals (Sweden)
Wes Maciejewski
2014-04-01
Full Text Available Evolutionary graph theory is a well established framework for modelling the evolution of social behaviours in structured populations. An emerging consensus in this field is that graphs that exhibit heterogeneity in the number of connections between individuals are more conducive to the spread of cooperative behaviours. In this article we show that such a conclusion largely depends on the individual-level interactions that take place. In particular, averaging payoffs garnered through game interactions rather than accumulating the payoffs can altogether remove the cooperative advantage of heterogeneous graphs while such a difference does not affect the outcome on homogeneous structures. In addition, the rate at which game interactions occur can alter the evolutionary outcome. Less interactions allow heterogeneous graphs to support more cooperation than homogeneous graphs, while higher rates of interactions make homogeneous and heterogeneous graphs virtually indistinguishable in their ability to support cooperation. Most importantly, we show that common measures of evolutionary advantage used in homogeneous populations, such as a comparison of the fixation probability of a rare mutant to that of the resident type, are no longer valid in heterogeneous populations. Heterogeneity causes a bias in where mutations occur in the population which affects the mutant's fixation probability. We derive the appropriate measures for heterogeneous populations that account for this bias.
Digitally reconfigurable complex 2D Dual lattice structure by optical phase engineering
Kumar, Manish
2015-01-01
We present a method to combine two periodic lattice wave-fields to generate a complex dual lattice wave-field which could be employed for microfabrication of corresponding 2D dual lattice structures. Since the addition of two periodic lattice wave-fields is coherent in nature the resultant dual lattice structure is highly dependent on the relative phase difference between constituent wave-fields. We show that it is possible to have control over the dual lattice pattern by precisely controlling this relative phase difference. This control is enabled by making use of digitally addressable phase only spatial light modulator (SLM). We provide the computational method for calculation of corresponding phase mask to be displayed on the SLM and also verify the results experimentally by employing a simple 4f Fourier filter based geometry. The method is completely scalable and reconfigurable in terms of the choice of periodic lattice wave-fields and has the potential to form gradient phase masks which could be useful f...
Emergent dynamic structures and statistical law in spherical lattice gas automata.
Yao, Zhenwei
2017-12-01
Various lattice gas automata have been proposed in the past decades to simulate physics and address a host of problems on collective dynamics arising in diverse fields. In this work, we employ the lattice gas model defined on the sphere to investigate the curvature-driven dynamic structures and analyze the statistical behaviors in equilibrium. Under the simple propagation and collision rules, we show that the uniform collective movement of the particles on the sphere is geometrically frustrated, leading to several nonequilibrium dynamic structures not found in the planar lattice, such as the emergent bubble and vortex structures. With the accumulation of the collision effect, the system ultimately reaches equilibrium in the sense that the distribution of the coarse-grained speed approaches the two-dimensional Maxwell-Boltzmann distribution despite the population fluctuations in the coarse-grained cells. The emergent regularity in the statistical behavior of the system is rationalized by mapping our system to a generalized random walk model. This work demonstrates the capability of the spherical lattice gas automaton in revealing the lattice-guided dynamic structures and simulating the equilibrium physics. It suggests the promising possibility of using lattice gas automata defined on various curved surfaces to explore geometrically driven nonequilibrium physics.
Emergent dynamic structures and statistical law in spherical lattice gas automata
Yao, Zhenwei
2017-12-01
Various lattice gas automata have been proposed in the past decades to simulate physics and address a host of problems on collective dynamics arising in diverse fields. In this work, we employ the lattice gas model defined on the sphere to investigate the curvature-driven dynamic structures and analyze the statistical behaviors in equilibrium. Under the simple propagation and collision rules, we show that the uniform collective movement of the particles on the sphere is geometrically frustrated, leading to several nonequilibrium dynamic structures not found in the planar lattice, such as the emergent bubble and vortex structures. With the accumulation of the collision effect, the system ultimately reaches equilibrium in the sense that the distribution of the coarse-grained speed approaches the two-dimensional Maxwell-Boltzmann distribution despite the population fluctuations in the coarse-grained cells. The emergent regularity in the statistical behavior of the system is rationalized by mapping our system to a generalized random walk model. This work demonstrates the capability of the spherical lattice gas automaton in revealing the lattice-guided dynamic structures and simulating the equilibrium physics. It suggests the promising possibility of using lattice gas automata defined on various curved surfaces to explore geometrically driven nonequilibrium physics.
Additive-manufactured sandwich lattice structures: A numerical and experimental investigation
Fergani, Omar; Tronvoll, Sigmund; Brøtan, Vegard; Welo, Torgeir; Sørby, Knut
2017-10-01
The utilization of additive-manufactured lattice structures in engineered products is becoming more and more common as the competitiveness of AM as a production technology has increased during the past several years. Lattice structures may enable important weight reductions as well as open opportunities to build products with customized functional properties, thanks to the flexibility of AM for producing complex geometrical configurations. One of the most critical aspects related to taking AM into new application areas—such as safety critical products—is currently the limited understanding of the mechanical behavior of sandwich-based lattice structure mechanical under static and dynamic loading. In this study, we evaluate manufacturability of lattice structures and the impact of AM processing parameters on the structural behavior of this type of sandwich structures. For this purpose, we conducted static compression testing for a variety of geometry and manufacturing parameters. Further, the study discusses a numerical model capable of predicting the behavior of different lattice structure. A reasonably good correlation between the experimental and numerical results was observed.
Combining Deterministic structures and stochastic heterogeneity for transport modeling
Zech, Alraune; Attinger, Sabine; Dietrich, Peter; Teutsch, Georg
2017-04-01
Contaminant transport in highly heterogeneous aquifers is extremely challenging and subject of current scientific debate. Tracer plumes often show non-symmetric but highly skewed plume shapes. Predicting such transport behavior using the classical advection-dispersion-equation (ADE) in combination with a stochastic description of aquifer properties requires a dense measurement network. This is in contrast to the available information for most aquifers. A new conceptual aquifer structure model is presented which combines large-scale deterministic information and the stochastic approach for incorporating sub-scale heterogeneity. The conceptual model is designed to allow for a goal-oriented, site specific transport analysis making use of as few data as possible. Thereby the basic idea is to reproduce highly skewed tracer plumes in heterogeneous media by incorporating deterministic contrasts and effects of connectivity instead of using unimodal heterogeneous models with high variances. The conceptual model consists of deterministic blocks of mean hydraulic conductivity which might be measured by pumping tests indicating values differing in orders of magnitudes. A sub-scale heterogeneity is introduced within every block. This heterogeneity can be modeled as bimodal or log-normal distributed. The impact of input parameters, structure and conductivity contrasts is investigated in a systematic manor. Furthermore, some first successful implementation of the model was achieved for the well known MADE site.
Imaging the mode structure of a kagome lattice of superconducting resonators with a scanning defect
Underwood, Devin; Shanks, Will; Li, Andy C. Y.; Koch, Jens; Houck, Andrew
2014-03-01
It has been theoretically shown that a lattice of coupled electromagnetic cavities each strongly coupled to a two-level system exhibit quantum phase transitions of polaritons. Such a system consists of a lattice of coupled sites each described by the Jaynes-Cummings Hamiltonian. The circuit quantum electrodynamics architecture is a natural choice for such experiments because of the ease of fabrication, and the easily obtainable strong coupling limit. In these systems an important first step is to build and understand a large photonic lattice of microwave resonators without qubits. Here we present measurements of the mode structure of microwave photons in an array of 49 niobium CPW resonators that are capacitively coupled to form a kagome lattice. Our method for extracting the mode structure is a piece of sapphire mounted to a three-axis positioning stage that we bring into contact with each resonator. This scanning defect locally perturbs each lattice site and the shifted transmission spectrum can then be used as a metric to extract the internal mode structure. When compared to calculations from a tight binding Hamiltonian, measured modes show good agreement. These results demonstrate our ability to fabricate and understand large lattices of microwave resonators. NSFGRF
Structural signatures of dynamic heterogeneities in monolayers of colloidal ellipsoids.
Zheng, Zhongyu; Ni, Ran; Wang, Feng; Dijkstra, Marjolein; Wang, Yuren; Han, Yilong
2014-05-08
When a liquid is supercooled towards the glass transition, its dynamics drastically slows down, whereas its static structure remains relatively unchanged. Finding a structural signature of the dynamic slowing down is a major challenge, yet it is often too subtle to be uncovered. Here we discover the structural signatures for both translational and rotational dynamics in monolayers of colloidal ellipsoids by video microscopy experiments and computer simulations. The correlation lengths of the dynamic slowest-moving clusters, the static glassy clusters, the static local structural entropy and the dynamic heterogeneity follow the same power-law divergence, suggesting that the kinetic slowing down is caused by a decrease in the structural entropy and an increase in the size of the glassy cluster. Ellipsoids with different aspect ratios exhibit single- or double-step glass transitions with distinct dynamic heterogeneities. These findings demonstrate that the particle shape anisotropy has important effects on the structure and dynamics of the glass.
Direct observation of Σ7 domain boundary core structure in magnetic skyrmion lattice.
Matsumoto, Takao; So, Yeong-Gi; Kohno, Yuji; Sawada, Hidetaka; Ikuhara, Yuichi; Shibata, Naoya
2016-02-01
Skyrmions are topologically protected nanoscale magnetic spin entities in helical magnets. They behave like particles and tend to form hexagonal close-packed lattices, like atoms, as their stable structure. Domain boundaries in skyrmion lattices are considered to be important as they affect the dynamic properties of magnetic skyrmions. However, little is known about the fine structure of such skyrmion domain boundaries. We use differential phase contrast scanning transmission electron microscopy to directly visualize skyrmion domain boundaries in FeGe1-x Si x induced by the influence of an "edge" of a crystal grain. Similar to hexagonal close-packed atomic lattices, we find the formation of skyrmion "Σ7" domain boundary, whose orientation relationship is predicted by the coincidence site lattice theory to be geometrically stable. On the contrary, the skyrmion domain boundary core structure shows a very different structure relaxation mode. Individual skyrmions can flexibly change their size and shape to accommodate local coordination changes and free volumes formed at the domain boundary cores. Although atomic rearrangement is a common structural relaxation mode in crystalline grain boundaries, skyrmions show very unique and thus different responses to such local lattice disorders.
TEM nano-Moiré evaluation for an invisible lattice structure near the grain interface.
Zhang, Hongye; Wen, Huihui; Liu, Zhanwei; Zhang, Qi; Xie, Huimin
2017-10-26
Moiré technique is a powerful, important and effective tool for scientific research, from the nano-scale to the macro-scale, which is essentially the interference between two or more periodic structures with a similar frequency. In this study, an inverse transmission electron microscopy (TEM) nano-Moiré method has been proposed, for the first time, to reconstruct an invisible lattice structure near the grain interface, where only one kind of lattice structure and Moiré fringe were visible in a high resolution TEM (HRTEM) image simultaneously. The inversion process was performed in detail. Three rules were put forward to ensure the uniqueness of the inversion result. The HRTEM image of a top-coat/thermally grown oxide interface in a thermal barrier coating (TBC) structure was observed with coexisting visible lattice and Moiré fringes. Using the inverse TEM nano-Moiré method, the invisible lower layer lattice was inversed and a 3-dimensional structure near the interface was also reconstructed to some degree. The real strain field of oriented invisible and visible lattices and the relative strain field of the Moiré fringe in the grain and near the grain boundary were obtained simultaneously through the subset geometric phase analysis method. The possible failure mechanism and position of the TBC spallation from the nano-scale to the micro-scale were discussed.
Transverse spin structure of the nucleon from lattice QCD simulations
Energy Technology Data Exchange (ETDEWEB)
Goeckeler, M.; Schaefer, A. [Regensburg Univ. (Germany). Inst. fuer Physik 1 - Theoretische Physik; Haegeler, P. [Technische Univ. Muenchen, Garching (Germany). Inst. fuer Theoretische Physik; Horsley, R.; Zanotti, J.M. [Edinburgh Univ. (United Kingdom). School of Physics; Nakamura, Y.; Pleiter, D. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Rakow, P.E.L. [Liverpool Univ. (United Kingdom). Theoretical Physics Division, Dept. of Mathematical Sciences; Schierholz, G. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)]|[Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Stueben, H. [Konrad-Zuse-Zentrum fuer Informationstechnik Berlin (ZIB) (Germany)
2006-12-15
We present the first calculation in lattice QCD of the lowest two moments of transverse spin densities of quarks in the nucleon. They encode correlations between quark spin and orbital angular momentum. Our dynamical simulations are based on two flavors of clover-improved Wilson fermions and Wilson gluons. We find significant contributions from certain quark helicity flip generalized parton distributions, leading to strongly distorted densities of transversely polarized quarks in the nucleon. In particular, based on our results and recent arguments by Burkardt [Phys. Rev. D 72 (2005) 094020], we predict that the Boer-Mulders-function h{sub 1} {sup perpendicular} {sup to}, describing correlations of transverse quark spin and intrinsic transverse momentum of quarks, is large and negative for both up and down quarks. (orig.)
DEFF Research Database (Denmark)
Mahshid, Rasoul; Hansen, Hans Nørgaard; Loft Højbjerre, Klaus
2016-01-01
Additive manufacturing is rapidly developing and gaining popularity for direct metal fabrication systems like selective laser melting (SLM). The technology has shown significant improvement for high-quality fabrication of lightweight design-efficient structures such as conformal cooling channels...... in injection molding tools and lattice structures. This research examines the effect of cellular lattice structures on the strength of workpieces additively manufactured from ultra high-strength steel powder. Two commercial SLM machines are used to fabricate cellular samples based on four architectures— solid...
Impact of structural heterogeneity in solar absorber layers (Conference Presentation)
Toney, Michael
2016-09-01
Impact of structural heterogeneity in solar absorber layers Michael F Toney SLAC National Accelerator Laboratory Structural and morphological heterogeneity is common in thin film and emerging solar cell absorber layers, including organic photovoltaic bulk heterojunctions (OPV BHJs), hybrid organic-inorganic perovskites (HOIP), and Cu2ZnSn(S,Se)4 (CZTSSe), and has a significant impact on the (opto)electronic heterogeneity and hence absorber properties. In this talk I will use X-ray based methods, including scattering and spectroscopies, to characterize and quantify the heterogeneity in OPV BHJs and HOIP absorber layers. The BHJ films are blends of the small molecule X2 and [6,6]-phenyl C71 butyric acid methyl ester (PC71BM) where it has been established that there are three distinct region of the films - pure PC71BM, pure X2 and intimately mixed X2:PC71BM. This talk will show how the absolute concentration of the mixed phase can be used to explain the large PC71BM:X2 composition range where good performance is observed [1]. The talk will also show that spin cast CH3NH3PbI3 films consistent of both crystalline and amorphous regions, which can explain previous heterogeneity in the PL imaging [2]. [1] Huang et al., Adv. Energy Mater. 4, 1301886 (2014). [2] deQuilettes et al., Science 348, 683 (2015).
Aging and Heterogeneity: Genetics, Social Structure, and Personality.
Light, John M.; And Others
1996-01-01
Suggests that the heterogeneity of human personality characteristics increases with age. Examines reasons for this phenomenon in terms of individual differentiation, social structure/allocation, and behavioral genetics. Develops a model synthesizing various study designs that prevent variation and covariation errors from occurring in life course…
A Few Discrete Lattice Systems and Their Hamiltonian Structures, Conservation Laws
Guo, Xiu-Rong; Zhang, Yu-Feng; Zhang, Xiang-Zhi; Yue, Rong
2017-04-01
With the help of three shift operators and r-matrix theory, a few discrete lattice systems are obtained which can be reduced to the well-known Toda lattice equation with a constraint whose Hamiltonian structures are generated by Poisson tensors of some induced Lie–Poisson bracket. The recursion operators of these lattice systems are constructed starting from Lax representations. Finally, reducing the given shift operators to get a simpler one and its expanding shift operators, we produce a lattice system with three vector fields whose recursion operator is given. Furthermore, we reduce the lattice system with three vector fields to get a lattice system whose Lax pair and conservation laws are obtained, respectively. Supported by the National Natural Science Foundation of China under Grant No. 11371361, the Innovation Team of Jiangsu Province Hosted by China University of Mining and Technology (2014), the the Key Discipline Construction by China University of Mining and Technology under Grant No. XZD201602, the Shandong Provincial Natural Science Foundation, China under Grant Nos. ZR2016AM31, ZR2016AQ19, ZR2015EM042, the Development of Science and Technology Plan Projects of TaiAn City under Grant No. 2015NS1048, National Social Science Foundation of China under Grant No. 13BJY026, and A Project of Shandong Province Higher Educational Science and Technology Program under Grant No. J14LI58
Direct observation of structural heterogeneity in a beta-sheet.
Cremeens, Matthew E; Zimmermann, Jörg; Yu, Wayne; Dawson, Philip E; Romesberg, Floyd E
2009-04-29
Structural heterogeneity is thought to be inherent in many proteins and may be important for their folding and/or function. However, it is difficult to detect by conventional methods. Carbon-deuterium bonds are environmentally sensitive, nonperturbative probes of protein environments whose observation and characterization are facilitated by their unique stretching absorption frequency in an otherwise unobscured region of the IR spectrum. We demonstrate that deuterium atoms incorporated at C(alpha) backbone positions (C(alpha)-D bonds) are sensitive to the local backbone structure and thus may be used not only to detect structural heterogeneity but also to help characterize it structurally. Density functional theory calculations are used to predict that C(alpha)-D bonds of glycine are sensitive to their local structure, with the absorptions red-shifted for an extended beta-sheet relative to gamma- and alpha-helix-like turns. These predictions are confirmed using the N-terminal Src homology 3 (nSH3) domain from the human CrkII adaptor protein, whose function as a signaling domain may require structural heterogeneity. Four nSH3 variants were synthesized in which individual glycine residues were site-specifically modified with C(alpha)D(2) glycine residues. Not only were the C(alpha)-D bonds incorporated within the beta-sheet of nSH3 more red-shifted than those incorporated within loops, but the data also reveal that nSH3 populates at least two discrete beta-sheet core structures. Moreover, the data suggest that the folded core of nSH3 may be less ordered than previously believed and also that the unfolded state may be more ordered than previously thought, and both of these factors may influence the folding and function of these important signaling domains. The C-D-based IR technique should be generally useful in the characterization of structure and heterogeneity of both folded and unfolded states.
Azimzade, Youness; Mashaghi, Alireza
2017-12-01
Efficient search acts as a strong selective force in biological systems ranging from cellular populations to predator-prey systems. The search processes commonly involve finding a stationary or mobile target within a heterogeneously structured environment where obstacles limit migration. An open generic question is whether random or directionally biased motions or a combination of both provide an optimal search efficiency and how that depends on the motility and density of targets and obstacles. To address this question, we develop a simple model that involves a random walker searching for its targets in a heterogeneous medium of bond percolation square lattice and used mean first passage time (〈T 〉 ) as an indication of average search time. Our analysis reveals a dual effect of directional bias on the minimum value of 〈T 〉 . For a homogeneous medium, directionality always decreases 〈T 〉 and a pure directional migration (a ballistic motion) serves as the optimized strategy, while for a heterogeneous environment, we find that the optimized strategy involves a combination of directed and random migrations. The relative contribution of these modes is determined by the density of obstacles and motility of targets. Existence of randomness and motility of targets add to the efficiency of search. Our study reveals generic and simple rules that govern search efficiency. Our findings might find application in a number of areas including immunology, cell biology, ecology, and robotics.
Probing the structure of heterogeneous diluted materials by diffraction tomography.
Bleuet, Pierre; Welcomme, Eléonore; Dooryhée, Eric; Susini, Jean; Hodeau, Jean-Louis; Walter, Philippe
2008-06-01
The advent of nanosciences calls for the development of local structural probes, in particular to characterize ill-ordered or heterogeneous materials. Furthermore, because materials properties are often related to their heterogeneity and the hierarchical arrangement of their structure, different structural probes covering a wide range of scales are required. X-ray diffraction is one of the prime structural methods but suffers from a relatively poor detection limit, whereas transmission electron analysis involves destructive sample preparation. Here we show the potential of coupling pencil-beam tomography with X-ray diffraction to examine unidentified phases in nanomaterials and polycrystalline materials. The demonstration is carried out on a high-pressure pellet containing several carbon phases and on a heterogeneous powder containing chalcedony and iron pigments. The present method enables a non-invasive structural refinement with a weight sensitivity of one part per thousand. It enables the extraction of the scattering patterns of amorphous and crystalline compounds with similar atomic densities and compositions. Furthermore, such a diffraction-tomography experiment can be carried out simultaneously with X-ray fluorescence, Compton and absorption tomographies, enabling a multimodal analysis of prime importance in materials science, chemistry, geology, environmental science, medical science, palaeontology and cultural heritage.
Birkhoff, Garrett
1940-01-01
Since its original publication in 1940, this book has been revised and modernized several times, most notably in 1948 (second edition) and in 1967 (third edition). The material is organized into four main parts: general notions and concepts of lattice theory (Chapters I-V), universal algebra (Chapters VI-VII), applications of lattice theory to various areas of mathematics (Chapters VIII-XII), and mathematical structures that can be developed using lattices (Chapters XIII-XVII). At the end of the book there is a list of 166 unsolved problems in lattice theory, many of which still remain open. I
Page 1 Average lattices and aperiodic structures 793 The ...
Indian Academy of Sciences (India)
filling set. Nevertheless, it is seen that one does not require displacement of scatterers from a normal crystal structure to form a quasicrystalline distribution. Accordingly a quasicrystal can result as a special collection of incomplete icosahedra from its parent crystal structure without displacing scatterers. Since the icosahedra.
Directory of Open Access Journals (Sweden)
Shinji Miyata
2018-02-01
Full Text Available Aggrecan, a chondroitin sulfate (CS proteoglycan, forms lattice-like extracellular matrix structures called perineuronal nets (PNNs. Neocortical PNNs primarily ensheath parvalbumin-expressing inhibitory neurons (parvalbumin, PV cells late in brain development. Emerging evidence indicates that PNNs promote the maturation of PV cells by enhancing the incorporation of homeobox protein Otx2 and regulating experience-dependent neural plasticity. Wisteria floribunda agglutinin (WFA, an N-acetylgalactosamine-specific plant lectin, binds to the CS chains of aggrecan and has been widely used to visualize PNNs. Although PNNs show substantial molecular heterogeneity, the importance of this heterogeneity in neural plasticity remains unknown. Here, in addition to WFA lectin, we used the two monoclonal antibodies Cat315 and Cat316, both of which recognize the glycan structures of aggrecan, to investigate the molecular heterogeneity of PNNs. WFA detected the highest number of PNNs in all cortical layers, whereas Cat315 and Cat316 labeled only a subset of PNNs. WFA+, Cat315+, and Cat316+ PNNs showed different laminar distributions in the adult visual cortex. WFA, Cat315 and Cat316 detected distinct, but partially overlapping, populations of PNNs. Based on the reactivities of these probes, we categorized PNNs into four groups. We found that two subpopulation of PNNs, one with higher and one with lower WFA-staining are differentially labeled by Cat316 and Cat315, respectively. CS chains recognized by Cat316 were diminished in mice deficient in an enzyme involved in the initiation of CS-biosynthesis. Furthermore, WFA+ and Cat316+ aggrecan were spatially segregated and formed microdomains in a single PNN. Otx2 co-localized with Cat316+ but not with WFA+ aggrecan in PNNs. Our results suggest that the heterogeneity of PNNs around PV cells may affect the functional maturation of these cells.
Band warping, band non-parabolicity, and Dirac points in electronic and lattice structures
Resca, Lorenzo; Mecholsky, Nicholas A.; Pegg, Ian L.
2017-10-01
We illustrate at a fundamental level the physical and mathematical origins of band warping and band non-parabolicity in electronic and vibrational structures. We point out a robust presence of pairs of topologically induced Dirac points in a primitive-rectangular lattice using a p-type tight-binding approximation. We analyze two-dimensional primitive-rectangular and square Bravais lattices with implications that are expected to generalize to more complex structures. Band warping is shown to arise at the onset of a singular transition to a crystal lattice with a larger symmetry group, which allows the possibility of irreducible representations of higher dimensions, hence band degeneracy, at special symmetry points in reciprocal space. Band warping is incompatible with a multi-dimensional Taylor series expansion, whereas band non-parabolicities are associated with multi-dimensional Taylor series expansions to all orders. Still band non-parabolicities may merge into band warping at the onset of a larger symmetry group. Remarkably, while still maintaining a clear connection with that merging, band non-parabolicities may produce pairs of conical intersections at relatively low-symmetry points. Apparently, such conical intersections are robustly maintained by global topology requirements, rather than any local symmetry protection. For two p-type tight-binding bands, we find such pairs of conical intersections drifting along the edges of restricted Brillouin zones of primitive-rectangular Bravais lattices as lattice constants vary relatively to each other, until these conical intersections merge into degenerate warped bands at high-symmetry points at the onset of a square lattice. The conical intersections that we found appear to have similar topological characteristics as Dirac points extensively studied in graphene and other topological insulators, even though our conical intersections have none of the symmetry complexity and protection afforded by the latter more
Structure and correlations of the flux line lattice in crystalline Nb through the peak effect
DEFF Research Database (Denmark)
Gammel, P.L.; Yaron, U.; Ramirez, Y.P.
1998-01-01
We have measured the structure of the field cooled flux line lattice (FLL) in single crystal Nb using small angle neutron scattering. Augmented by transport and thermodynamic data, a scenario for the dramatic disordering of the FLL near the peak effect emerges. A precursor to the peak effect...
Nuclear Physics from Lattice QCD: The Spectrum, Structure and Interactions of Hadrons
Energy Technology Data Exchange (ETDEWEB)
David Richards; Colin Morningstar; John Negele; Konstantinos Orginos; Martin Savage
2007-02-09
The importance of lattice QCD to our understanding of the structure, spectroscopy, and interaction of hadrons is decribed. Recent accomplishments in each of these areas is outlined, and the opportunities emerging with increasing computational power are identified. Milestones at the 10 Tflops-years, 100 Tflops-years and Petaflops-years scales are presented.
Directory of Open Access Journals (Sweden)
J. Piątkowski
2009-07-01
Full Text Available Adding high-melting point elements (Mo, Nb, Ni, Ti, W to complex silumins results in hardening of the latter ones, owing to the formation of new intermetallic phases of the AlxMey type, with refinement of dendrites in α solution and crystals in β phase. The hardening is also due to the effect of various inoculants. An addition of the inoculant is expected to form substrates, the crystal lattice of which, or some (privileged lattice planes and interatomic spaces should bear a strong resemblance to the crystal nucleus. To verify this statement, using binary phase equilibria systems, the coefficient of crystal lattice matching, being one of the measures of the crystallographic similarity, was calculated. A compatibility of this parameter (up to 20% may decide about the structure compatibility between the substrate and crystal which, in turn, is responsible for the effectiveness of alloy modification. Investigations have proved that, given the temperature range of their formation, the density, the lattice type, and the lattice parameter, some intermetallic phases of the AlxMey type can act as substrates for the crystallisation of aluminium and silicon, and some of the silumin hardening phases.
Lattice-valued convergence ring and its uniform convergence structure
African Journals Online (AJOL)
Considering L a frame, we introduce the notion of stratified L-neighborhood topological ring, produce some characterization theorems including its Luniformizability. With the help of the notions of stratified convergence structures attributed to Gunther J¨ager [10], we introduce and study various subcategories of stratified ...
Nakata, Yoshiki; Yoshida, Masataka; Osawa, Kazuhito; Miyanaga, Noriaki
2017-09-01
Interference of six countering femtosecond (fs) laser beams at a wavelength of 785 nm has been utilized to fabricate nanostructures in a regular hexagonal lattice. A diffractive-optical element for six-beam splitting was introduced to a beam correlation system. The lattice structure was in accordance with the simulated structure based on the principle of superposition of electric fields. The unit structures fabricated on gold thin films were nanobit, nanodrop, and metallic hole array. The height and diameter of a representative nanodrop were 450 and 210 nm, respectively. Molten structures such as nanodrops are believed to have been fabricated via a solid-liquid-solid (SLS) mechanism, as in the case of previous experiments using four beams. In addition, multi-shot processing is examined to fabricate through-holes at lower fluences.
Calorimetric signature of structural heterogeneity in a ternary silicate glass
DEFF Research Database (Denmark)
Zhang, Yanfei; Yang, G.; Yue, Yuanzheng
2013-01-01
We investigate the structural heterogeneity in a silicate glass by hyperquenching–annealing–calorimetry approach. The results show a striking phenomenon: two separated sub-Tg relaxation peaks appear on the calorimetric curve of the hyperquenched CaO–MgO–SiO2 glass, implying the existence of two...... distinct structural domains of higher and lower potential energies, respectively. The higher energy domains in nanoscale are so unstable that they become ordered during hyperquenching. This is verified by the high-resolution transmission electron microscopy image exhibiting nanoordered domains in the glass...
Atomic structure of graphene supported heterogeneous model catalysts
Energy Technology Data Exchange (ETDEWEB)
Franz, Dirk
2017-04-15
Graphene on Ir(111) forms a moire structure with well defined nucleation centres. Therefore it can be utilized to create hexagonal metal cluster lattices with outstanding structural quality. At diffraction experiments these 2D surface lattices cause a coherent superposition of the moire cell structure factor, so that the measured signal intensity scales with the square of coherently scattering unit cells. This artificial signal enhancement enables the opportunity for X-ray diffraction to determine the atomic structure of small nano-objects, which are hardly accessible with any experimental technique. The uniform environment of every metal cluster makes the described metal cluster lattices on graphene/Ir(111) an attractive model system for the investigation of catalytic, magnetic and quantum size properties of ultra-small nano-objects. In this context the use of x-rays provides a maximum of flexibility concerning the possible sample environments (vacuum, selected gases, liquids, sample temperature) and allows in-situ/operando measurements. In the framework of the present thesis the structure of different metal clusters grown by physical vapor deposition in an UHV environment and after gas exposure have been investigated. On the one hand the obtained results will explore many aspects of the atomic structure of these small metal clusters and on the other hand the presented results will proof the capabilities of the described technique (SXRD on cluster lattices). For iridium, platinum, iridium/palladium and platinum/rhodium the growth on graphene/Ir(111) of epitaxial, crystalline clusters with an ordered hexagonal lattice arrangement has been confirmed using SXRD. The clusters nucleate at the hcp sites of the moire cell and bind via rehybridization of the carbon atoms (sp{sup 2} → sp{sup 3}) to the Ir(111) substrate. This causes small displacements of the substrate atoms, which is revealed by the diffraction experiments. All metal clusters exhibit a fcc structure
Cramer, Nick; Swei, Sean Shan-Min; Cheung, Kenny; Teodorescu, Mircea
2015-01-01
This paper presents a modeling and control of aerostructure developed by lattice-based cellular materials/components. The proposed aerostructure concept leverages a building block strategy for lattice-based components which provide great adaptability to varying ight scenarios, the needs of which are essential for in- ight wing shaping control. A decentralized structural control design is proposed that utilizes discrete-time lumped mass transfer matrix method (DT-LM-TMM). The objective is to develop an e ective reduced order model through DT-LM-TMM that can be used to design a decentralized controller for the structural control of a wing. The proposed approach developed in this paper shows that, as far as the performance of overall structural system is concerned, the reduced order model can be as e ective as the full order model in designing an optimal stabilizing controller.
Experimental evidence of large complete bandgaps in zig-zag lattice structures.
Yang, Cheng-Lin; Zhao, Sheng-Dong; Wang, Yue-Sheng
2017-02-01
In this paper, experimental evidence of large complete bandgaps in a kind of light-weighted zig-zag lattice structure (ZLS) is presented. Ultrasonic experiments are conducted on the stainless steel slab designed with ZLS to detect the complete bandgaps. Also, the numerical simulations of the experiments by the finite element method are carried out. For comparison, we conduct the same experiments and numerical simulations on the stainless steel slab with straight lattice structure (SLS). Good agreement is obtained between the experimental and numerical results. The complete bandgaps of ZLS are successfully tested and no complete bandgap is found in SLS. The band structures and vibration modes of both ZLS and SLS are calculated via the finite element method to understand the experimental data. The effects of the geometry parameters of ZLS on the complete bandgaps are discussed in detail. Copyright Â© 2016 Elsevier B.V. All rights reserved.
Directory of Open Access Journals (Sweden)
Kessler Julia
2017-01-01
Full Text Available This scientific survey is about periodic lattice structures which are made by Selective Laser Melting (SLM. Selective laser melting is based on Additive Manufacturing. The increased use and increasing demand of lattice structures in different fields of applications forms the necessity of a closer look on complex structures. Lattice structures can be found in different fields of applications for example in lightweight applications, filters and heat exchangers. Because of the expanding of application areas and thus arising requirements, the quality improvement is indispensable. Additive manufacturing and especially the SLM process enable the manufacturing of highly complex shapes and structures. Further it allows the integration of lightweight structures within to be manufactured applications. These high performance structures and applications need specific boundary and process conditions [1-3]. The main aim of this survey is an extraction of important parameters concerning the shape of lattices. A first focus will be on mechanical properties and the therefore necessary tensile tests.
Traveling waves and spreading speed on a lattice model with age structure
Directory of Open Access Journals (Sweden)
Zongyi Wang
2012-09-01
Full Text Available In this article, we study a lattice differential model for a single species with distributed age-structure in an infinite patchy environment. Using method of approaches by Diekmann and Thieme, we develop a comparison principle and construct a suitable sub-solution to the given model, and show that there exists a spreading speed of the system which in fact coincides with the minimal wave speed.
Topological Privacy: Lattice Structures and Information Bubbles for Inference and Obfuscation
2016-12-19
NAME(S) AND ADDRESS(ES). Enter the name and address of the organization(s) financially responsible for and monitoring the work. 10. SPONSOR/MONITOR’S...release. Topological Privacy: Lattice Structures and Information Bubbles for Inference and Obfuscation Final Report to AFOSR Award FA9550-14-1-0012...44 10.7 Hidden Holes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45 10.8 Bubbles
Electronic structure, lattice energies and Born exponents for alkali halides from first principles
Directory of Open Access Journals (Sweden)
C. R. Gopikrishnan
2012-03-01
Full Text Available First principles calculations based on DFT have been performed on crystals of halides (X = F, Cl, Br and I of alkali metals (M = Li, Na, K, Rb and Cs. The calculated lattice energies (U0 are in good agreement with the experimental lattice enthalpies. A new exact formalism is proposed to determine the Born exponent (n for ionic solids. The values of the Born exponent calculated through this ab-initio technique is in good agreement with previous empirically derived results. Band Structure calculations reveal that these compounds are wide-gap insulators that explains their optical transparency. Projected density of states (PDOS calculations reveal that alkali halides with small cations and large anions, have small band gaps due to charge transfer from X → M. This explains the onset of covalency in ionic solids, which is popularly known as the Fajans Rule.
Structural heterogeneity of terminal glycans in Campylobacter jejuni lipooligosaccharides.
Semchenko, Evgeny A; Day, Christopher J; Moutin, Marc; Wilson, Jennifer C; Tiralongo, Joe; Korolik, Victoria
2012-01-01
Lipooligosaccharides of the gastrointestinal pathogen Campylobacter jejuni are regarded as a major virulence factor and are implicated in the production of cross-reactive antibodies against host gangliosides, which leads to the development of autoimmune neuropathies such as Guillain-Barré and Fisher Syndromes. C. jejuni strains are known to produce diverse LOS structures encoded by more than 19 types of LOS biosynthesis clusters. This study demonstrates that the final C. jejuni LOS structure cannot always be predicted from the genetic composition of the LOS biosynthesis cluster, as determined by novel lectin array analysis of the terminal LOS glycans. The differences were shown to be partially facilitated by the differential on/off status of three genes wlaN, cst and cj1144-45. The on/off status of these genes was also analysed in C. jejuni strains grown in vitro and in vivo, isolated directly from the host animal without passaging, using immunoseparation. Importantly, C. jejuni strains 331, 421 and 520 encoding cluster type C were shown to produce different LOS, mimicking asialo GM(1), asialo GM(2) and a heterogeneous mix of gangliosides and other glycoconjugates respectively. In addition, individual C. jejuni colonies were shown to consistently produce heterogeneous LOS structures, irrespective of the cluster type and the status of phase variable genes. Furthermore we describe C. jejuni strains (351 and 375) with LOS clusters that do not match any of the previously described LOS clusters, yet are able to produce LOS with asialo GM(2)-like mimicries. The LOS biosynthesis clusters of these strains are likely to contain genes that code for LOS biosynthesis machinery previously not identified, yet capable of synthesising LOS mimicking gangliosides.
Structural heterogeneity of terminal glycans in Campylobacter jejuni lipooligosaccharides.
Directory of Open Access Journals (Sweden)
Evgeny A Semchenko
Full Text Available Lipooligosaccharides of the gastrointestinal pathogen Campylobacter jejuni are regarded as a major virulence factor and are implicated in the production of cross-reactive antibodies against host gangliosides, which leads to the development of autoimmune neuropathies such as Guillain-Barré and Fisher Syndromes. C. jejuni strains are known to produce diverse LOS structures encoded by more than 19 types of LOS biosynthesis clusters. This study demonstrates that the final C. jejuni LOS structure cannot always be predicted from the genetic composition of the LOS biosynthesis cluster, as determined by novel lectin array analysis of the terminal LOS glycans. The differences were shown to be partially facilitated by the differential on/off status of three genes wlaN, cst and cj1144-45. The on/off status of these genes was also analysed in C. jejuni strains grown in vitro and in vivo, isolated directly from the host animal without passaging, using immunoseparation. Importantly, C. jejuni strains 331, 421 and 520 encoding cluster type C were shown to produce different LOS, mimicking asialo GM(1, asialo GM(2 and a heterogeneous mix of gangliosides and other glycoconjugates respectively. In addition, individual C. jejuni colonies were shown to consistently produce heterogeneous LOS structures, irrespective of the cluster type and the status of phase variable genes. Furthermore we describe C. jejuni strains (351 and 375 with LOS clusters that do not match any of the previously described LOS clusters, yet are able to produce LOS with asialo GM(2-like mimicries. The LOS biosynthesis clusters of these strains are likely to contain genes that code for LOS biosynthesis machinery previously not identified, yet capable of synthesising LOS mimicking gangliosides.
Tanaka, Keita; Katsuno, Hiroyasu; Sato, Masahide
2017-07-01
Keeping two-dimensional lattice structures formed by nanoparticles covered with DNA in mind, we carry out Brownian dynamics simulations to study the effect of interaction strength on a two-dimensional lattice structure formed in a binary system. In our previous study [H. Katsuno, Y. Maegawa, and M. Sato, J. Phys. Soc. Jpn. 85, 074605 (2016)], we carried out simulations using the Lennard-Jones potential, in which the difference in interaction length was taken into account. When the interaction length between different species, σ‧, is smaller than that between the same species, σ, various lattice structures were formed with changing the ratio σ‧/σ. In this paper, taking the difference in the interaction strength into account, we study the effect of the difference in interaction strength on the two-dimensional lattice structure.
Ultimate Seismic Resistance Capacity for Long Span Lattice Structures under Vertical Ground Motions
Directory of Open Access Journals (Sweden)
Yoshiya Taniguchi
2013-01-01
Full Text Available Seismic resistance capacities of frame structures have been discussed with equilibrium of energies among many researchers. The early one is the limit design presented by Housner, 1956; that is, frame structures should possess the plastic deformation ability equivalent to an earthquake input energy given by a velocity response spectrum. On such studies of response estimation by the energy equilibrium, the potential energy has been generally abandoned, since the effect of self-weight or fixed loads on the potential energy is negligible, while ordinary buildings usually sway in the horizontal direction. However, it could be said that the effect of gravity has to be considered for long span structures since the mass might be concerned with the vertical response. In this paper, as for ultimate seismic resistance capacity of long span structures, an estimation method considering the potential energy is discussed as for plane lattice beams and double-layer cylindrical lattice roofs. The method presented can be done with the information of static nonlinear behavior, natural periods, and velocity response spectrum of seismic motions; that is, any complicated nonlinear time history analysis is not required. The value estimated can be modified with the properties of strain energy absorption and the safety static factor.
De Novo generation of molecular structures using optimization to select graphs on a given lattice
DEFF Research Database (Denmark)
Bywater, R.P.; Poulsen, Thomas Agersten; Røgen, Peter
2004-01-01
model, used in medicinal chemistry to guide de novo design or selection of suitable structures from compound databases. We propose here a method that efficiently links up a selected number of required atom positions while at the same time directing the emergent molecular skeleton to avoid forbidden...... positions. The linkage process takes place on a lattice whose unit step length and overall geometry is designed to match typical architectures of organic molecules. We use an optimization method to select from the many different graphs possible. The approach is demonstrated in an example where crystal......A recurrent problem in organic chemistry is the generation of new molecular structures that conform to some predetermined set of structural constraints that are imposed in an endeavor to build certain required properties into the newly generated structure. An example of this is the pharmacophore...
DEFF Research Database (Denmark)
Zhang, H.W.; Luo, Z.P.; Hansen, Niels
2015-01-01
The structural heterogeneity of a polycrystalline Ni subjected to dynamic plastic deformation to a strain of 2.3 was characterized, and its influence on the structural coarsening behaviour during post annealing was investigated. Structural heterogeneity on the large scale manifests itself...... orientation. In contrast HMRs contain both low and high angle boundaries (>15o) and the texture is mixed with close to the compression axis. During annealing, LMRs coarsen uniformly and recrystallization nucleation is difficult to form. In HMRs, the structural evolution is heterogeneous...... and recrystallization nuclei are readily formed. The importance of structural heterogeneity during structural design for high performance nanostructure was highlighted....
Nucleon structure from Lattice QCD using a nearly physical pion mass
Energy Technology Data Exchange (ETDEWEB)
Green, J.R. [Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Institut für Kernphysik, Johannes Gutenberg-Universität Mainz, D-55099 Mainz (Germany); Engelhardt, M. [Department of Physics, New Mexico State University, Las Cruces, NM 88003 (United States); Krieg, S. [Bergische Universität Wuppertal, D-42119 Wuppertal (Germany); IAS, Jülich Supercomputing Centre, Forschungszentrum Jülich, D-52425 Jülich (Germany); Negele, J.W.; Pochinsky, A.V. [Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Syritsyn, S.N., E-mail: ssyritsyn@quark.phy.bnl.gov [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); RIKEN/BNL Research Center, Brookhaven National Laboratory, Upton, NY 11973 (United States)
2014-06-27
We report the first Lattice QCD calculation using the almost physical pion mass m{sub π}=149 MeV that agrees with experiment for four fundamental isovector observables characterizing the gross structure of the nucleon: the Dirac and Pauli radii, the magnetic moment, and the quark momentum fraction. The key to this success is the combination of using a nearly physical pion mass and excluding the contributions of excited states. An analogous calculation of the nucleon axial charge governing beta decay has inconsistencies indicating a source of bias at low pion masses not present for the other observables and yields a result that disagrees with experiment.
Ariono, D.; Khoiruddin; Subagjo; Wenten, I. G.
2017-02-01
Generally, commercially available ion-exchange membrane (IEM) can be classified into homogeneous and heterogeneous membranes. The classification is based on degree of heterogeneity in membrane structure. It is well known that the heterogeneity greatly affects the properties of IEM, such as conductivity, permselectivity, chemical and mechanical stability. The heterogeneity also influences ionic and electrical current transfer behavior of IEM-based processes during their operation. Therefore, understanding the role of heterogeneity in IEM properties is important to provide preliminary information on their operability and applicability. In this paper, the heterogeneity and its effect on IEM properties are reviewed. Some models for describing the heterogeneity of IEM and methods for characterizing the degree of heterogeneity are discussed. In addition, the influence of heterogeneity on the performance of IEM-based processes and their electrochemical behavior are described.
High-Q lattice mode matched structural resonances in terahertz metasurfaces
Energy Technology Data Exchange (ETDEWEB)
Xu, Ningning; Zhang, Weili, E-mail: weili.zhang@okstate.edu [School of Electrical and Computer Engineering, Oklahoma State University, Stillwater, Oklahoma 74078 (United States); Singh, Ranjan, E-mail: ranjans@ntu.edu.sg [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Centre for Disruptive Photonic Technologies, The Photonics Institute, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore)
2016-07-11
The quality (Q) factor of metamaterial resonances is limited by the radiative and non-radiative losses. At terahertz frequencies, the dominant loss channel is radiative in nature since the non-radiative losses are low due to high conductivity of metals. Radiative losses could be suppressed by engineering the meta-atom structure. However, such suppression usually occurs at the fundamental resonance mode which is typically a closed mode resonance such as an inductive-capacitive resonance or a Fano resonance. Here, we report an order of magnitude enhancement in Q factor of all the structural eigenresonances of a split-ring resonator fueled by the lattice mode matching. We match the fundamental order diffractive mode to each of the odd and even eigenresonances, thus leading to a tremendous line-narrowing of all the resonances. Such precise tailoring and control of the structural resonances in a metasurface lattice could have potential applications in low-loss devices, sensing, and design of high-Q metamaterial cavities.
Measurement of deforming mode of lattice truss structures under impact loading
Directory of Open Access Journals (Sweden)
Zhao H.
2012-08-01
Full Text Available Lattice truss structures, which are used as a core material in sandwich panels, were widely investigated experimentally and theoretically. However, explanation of the deforming mechanism using reliable experimental results is almost rarely reported, particularly for the dynamic deforming mechanism. The present work aimed at the measurement of the deforming mode of lattice truss structures. Indeed, quasi-static and Split Hopkinson Pressure Bar (SHPB tests have been performed on the tetrahedral truss cores structures made of Aluminum 3003-O. Global values such as crushing forces and displacements between the loading platens are obtained. However, in order to understand the deforming mechanism and to explain the observed impact strength enhancement observed in the experiments, images of the truss core element during the tests are recorded. A method based on the edge detection algorithm is developed and applied to these images. The deforming profiles of one beam are extracted and it allows for calculating the length of beam. It is found that these lengths diminish to a critical value (due to compression and remain constant afterwards (because of significant bending. The comparison between quasi-static and impact tests shows that the beam were much more compressed under impact loading, which could be understood as the lateral inertia effect in dynamic bucking. Therefore, the impact strength enhancement of tetrahedral truss core sandwich panel can be explained by the delayed buckling of beam under impact (more compression reached, together with the strain hardening of base material.
Measurement of deforming mode of lattice truss structures under impact loading
Liu, J.; Pattofatto, S.; Zhao, H.
2012-08-01
Lattice truss structures, which are used as a core material in sandwich panels, were widely investigated experimentally and theoretically. However, explanation of the deforming mechanism using reliable experimental results is almost rarely reported, particularly for the dynamic deforming mechanism. The present work aimed at the measurement of the deforming mode of lattice truss structures. Indeed, quasi-static and Split Hopkinson Pressure Bar (SHPB) tests have been performed on the tetrahedral truss cores structures made of Aluminum 3003-O. Global values such as crushing forces and displacements between the loading platens are obtained. However, in order to understand the deforming mechanism and to explain the observed impact strength enhancement observed in the experiments, images of the truss core element during the tests are recorded. A method based on the edge detection algorithm is developed and applied to these images. The deforming profiles of one beam are extracted and it allows for calculating the length of beam. It is found that these lengths diminish to a critical value (due to compression) and remain constant afterwards (because of significant bending). The comparison between quasi-static and impact tests shows that the beam were much more compressed under impact loading, which could be understood as the lateral inertia effect in dynamic bucking. Therefore, the impact strength enhancement of tetrahedral truss core sandwich panel can be explained by the delayed buckling of beam under impact (more compression reached), together with the strain hardening of base material.
Energy Technology Data Exchange (ETDEWEB)
Kumar, Manish, E-mail: manishk@physics.iitd.ac.in; Joseph, Joby, E-mail: joby@physics.iitd.ac.in [Photonics Research Laboratory, Department of Physics, Indian Institute of Technology Delhi, New Delhi 110016 (India)
2014-08-04
We propose a simple and straightforward method to generate spatially variant lattice structures by optical interference lithography method. Using this method, it is possible to independently vary the orientation and period of the two-dimensional lattice. The method consists of two steps which are: numerical synthesis of corresponding phase mask by employing a two-dimensional integrated gradient calculations and experimental implementation of synthesized phase mask by making use of a phase only spatial light modulator in an optical 4f Fourier filtering setup. As a working example, we provide the experimental fabrication of a spatially variant square lattice structure which has the possibility to guide a Gaussian beam through a 90° bend by photonic crystal self-collimation phenomena. The method is digitally reconfigurable, is completely scalable, and could be extended to other kind of lattices as well.
Kumar, Manish
2016-01-01
We propose a simple and straightforward method to generate a spatially variant lattice structures by optical interference lithography method. Using this method, it is possible to independently vary the orientation and period of the two-dimensional lattice. The method consists of two steps which are: numerical synthesis of corresponding phase mask by employing a two-dimensional integrated gradient calculations and experimental implementation of synthesized phase mask by making use of a phase only spatial light modulator in an optical 4f Fourier filtering setup. As a working example, we provide the experimental fabrication of a spatially variant square lattice structure which has the possibility to guide a Gaussian beam through a 90{\\deg} bend by photonic crystal self-collimation phenomena. The method is digitally reconfigurable, is completely scalable and could be extended to other kind of lattices as well.
Sakakida, Keishiro; Shimahara, Hiroshi
2017-12-01
Motivated by recently discovered organic antiferromagnets, we examine an extended triangular lattice that consists of two types of triangles of bonds with exchange coupling constants Jℓ and J'ℓ (ℓ= 1, 2, and 3), respectively. The simplified system with Jℓ = J'ℓ > 0 is the spatially completely anisotropic triangular lattice (SCATL) antiferromagnet examined previously. The extended system, which we call an extended SCATL (ESCATL), has two different spatial anisotropy parameters J3/J2 and J'3/J'2 when J1 = J'1 is assumed. We derive classical phase diagrams and spin structures. It is found that the ESCATL antiferromagnet exhibits two up-up-down-down (uudd) phases when the imbalance of the anisotropy parameters is significant, in addition to the three Néel phases that occur in the SCATL. When the model parameters vary, these collinear phases are continuously connected by the spiral-spin phase. Using the available model parameters for the organic compounds λ-(BETS)2XCl4 (X = Fe and Ga), we examine the stabilities of the spin structures of the independent π-electron system, which is considered to primarily sustain the magnetic order, where BETS represents bis(ethylenedithio)tetraselenafulvalene. It is found that one of the uudd phases has an energy close to the ground-state energy for λ-(BETS)2FeCl4. We discuss the relevance of the magnetic anion FeCl4 and the quantum fluctuation to the magnetism of these compounds. When J'3 = 0, the system is reduced to a trellis lattice antiferromagnet. The system exhibits a stripe spiral-spin phase, which comprises one-dimensional spiral-spin states stacked alternately.
Heterogeneous Structure and Seismicity beneath the Tokyo Metropolitan Area
Nakagawa, S.; Kato, A.; Sakai, S.; Nanjo, K.; Panayotopoulos, Y.; Kurashimo, E.; Obara, K.; Kasahara, K.; Aketagawa, T.; Kimura, H.; Hirata, N.
2010-12-01
Beneath the Tokyo metropolitan area, the Philippine Sea Plate (PSP) subducts and causes damaged mega-thrust earthquakes. Sato et al. (2005) revealed the geometry of upper surface of PSP, and Hagiwara et al. (2006) estimated the velocity structure beneath Boso peninsula. However, these results are not sufficient for the assessment of the entire picture of the seismic hazards beneath the Tokyo metropolitan area including those due to an intra-slab M7+ earthquake. So, we launched the Special Project for Earthquake Disaster Mitigation in the Tokyo Metropolitan area (Hirata et al., 2009). Proving the more detailed geometry and physical properties (e.g. velocities, densities, attenuation) and stress field within PSP is very important to attain this issue. The core item of this project is a dense seismic array called Metropolitan Seismic Observation network (MeSO-net) for making observations in the metropolitan area (Sakai and Hirata, 2009; Kasahara et al., 2009). We deployed the 249 seismic stations with a spacing of 5 km. Some parts of stations construct 5 linear arrays at interval of 2 km such as Tsukuba-Fujisawa (TF) array, etc. The TF array runs from northeast to southwest through the center of Tokyo. In this study, we applied the tomography method to image the heterogeneous structure under the Tokyo metropolitan area. We selected events from the Japan Meteorological Agency (JMA) unified earthquake list. All data of MeSO-net were edited into event data by the selected JMA unified earthquake list. We picked the P and S wave arrival times. The total number of stations and events are 421 and 1,256, respectively. Then, we applied the double-difference tomography method (Zhang and Thurber, 2003) to this dataset and estimated the fine-scale velocity structure. The grid nodes locate 10 km interval in parallel with the array, 20 km interval in perpendicular to the array; and on depth direction, 5 km interval to a depth of less than 50 km and 10 km interval at a depth of more
[Structure and heterogeneity of urban vegetation landscape in Shenyang].
He, Xingyuan; Chen, Wei; Xu, Wenduo; Liu, Changfu; Li, Haimei; Sun, Yu; Zhang, Yue
2003-12-01
Studies on the structure and heterogeneity of urban vegetation landscape in Shenyang city showed that the most vegetation patches were in the street corner, accounted for more than 50% of the total vegetation patch, and their area was only 4.45% of the total vegetation area. In terms of the size of the patches, the average area of shelter vegetation and park vegetation was 66.97 hm2 and 59.31 hm2, respectively, while that of street corner vegetation and garden vegetation was 0.71 hm2 and 0.38 hm2, respectively. Street corner vegetation had the highest index of landscape diversity, while park vegetation had the lowest one. In the seven districts of Shenyang city, all types of vegetation had a small landscape dominance and evenness, but patch vegetation had a more than 10 times of landscape dominance than corridor vegetation, indicating that there was somewhat imbalance in the allocation of different vegetation patch types. It's suggested that the quantity of patch vegetation should be increased, and the public vegetation should be distributed evenly. Increasing vegetation corridor is also important because it can link the downtown area to the suburb natural vegetation ecosystems. For example, the South Canal Belt Park of Shenyang is a good vegetation corridor, which can beautify Shenyang city, discharge sewage, drain flood, and improve microclimate.
Networks and Models with Heterogeneous Population Structure in Epidemiology
Kao, R. R.
Heterogeneous population structure can have a profound effect on infectious disease dynamics, and is particularly important when investigating “tactical” disease control questions. At times, the nature of the network involved in the transmission of the pathogen (bacteria, virus, macro-parasite, etc.) appears to be clear; however, the nature of the network involved is dependent on the scale (e.g. within-host, between-host, or between-population), the nature of the contact, which ranges from the highly specific (e.g. sexual acts or needle sharing at the person-to-person level) to almost completely non-specific (e.g. aerosol transmission, often over long distances as can occur with the highly infectious livestock pathogen foot-and-mouth disease virus—FMDv—at the farm-to-farm level, e.g. Schley et al. in J. R. Soc. Interface 6:455-462, 2008), and the timescale of interest (e.g. at the scale of the individual, the typical infectious period of the host). Theoretical approaches to examining the implications of particular network structures on disease transmission have provided critical insight; however, a greater challenge is the integration of network approaches with data on real population structures. In this chapter, some concepts in disease modelling will be introduced, the relevance of selected network phenomena discussed, and then results from real data and their relationship to network analyses summarised. These include examinations of the patterns of air traffic and its relation to the spread of SARS in 2003 (Colizza et al. in BMC Med., 2007; Hufnagel et al. in Proc. Natl. Acad. Sci. USA 101:15124-15129, 2004), the use of the extensively documented Great Britain livestock movements network (Green et al. in J. Theor. Biol. 239:289-297, 2008; Robinson et al. in J. R. Soc. Interface 4:669-674, 2007; Vernon and Keeling in Proc. R. Soc. Lond. B, Biol. Sci. 276:469-476, 2009) and the growing interest in combining contact structure data with phylogenetics to
Directory of Open Access Journals (Sweden)
Xun Zhang
2014-01-01
Full Text Available Optimal sensor placement is a key issue in the structural health monitoring of large-scale structures. However, some aspects in existing approaches require improvement, such as the empirical and unreliable selection of mode and sensor numbers and time-consuming computation. A novel improved particle swarm optimization (IPSO algorithm is proposed to address these problems. The approach firstly employs the cumulative effective modal mass participation ratio to select mode number. Three strategies are then adopted to improve the PSO algorithm. Finally, the IPSO algorithm is utilized to determine the optimal sensors number and configurations. A case study of a latticed shell model is implemented to verify the feasibility of the proposed algorithm and four different PSO algorithms. The effective independence method is also taken as a contrast experiment. The comparison results show that the optimal placement schemes obtained by the PSO algorithms are valid, and the proposed IPSO algorithm has better enhancement in convergence speed and precision.
Energy Technology Data Exchange (ETDEWEB)
BLUM, T.; BOER, D.; CREUTZ, M.; OHTA, S.; ORGINOS, K.
2002-03-18
The RIKEN BNL Research Center workshop on ''Hadron Structure from Lattice QCD'' was held at BNL during March 11-15, 2002. Hadron structure has been the subject of many theoretical and experimental investigations, with significant success in understanding the building blocks of matter. The nonperturbative nature of QCD, however, has always been an obstacle to deepening our understanding of hadronic physics. Lattice QCD provides the tool to overcome these difficulties and hence a link can be established between the fundamental theory of QCD and hadron phenomenology. Due to the steady progress in improving lattice calculations over the years, comparison with experimentally measured hadronic quantities has become important. In this respect the workshop was especially timely. By providing an opportunity for experts from the lattice and hadron structure communities to present their latest results, the workshop enhanced the exchange of knowledge and ideas. With a total of 32 registered participants and 26 talks, the interest of a growing community is clearly exemplified. At the workshop Schierholz and Negele presented the current status of lattice computations of hadron structure. Substantial progress has been made during recent years now that the quenched results are well under control and the first dynamical results have appeared. In both the dynamical and the quenched simulations the lattice results, extrapolated to lighter quark masses, seem to disagree with experiment. Melnitchouk presented a possible explanation (chiral logs) for this disagreement. It became clear from these discussions that lattice computations at significantly lighter quark masses need to be performed.
Zakomirnyi, Vadim I.; Rasskazov, Ilia L.; Gerasimov, Valeriy S.; Ershov, Alexander E.; Polyutov, Sergey P.; Karpov, Sergei V.
2017-09-01
Regular arrays of plasmonic nanoparticles have brought significant attention over the last decade due to their ability to support localized surface plasmons (LSPs) and exhibit diffractive grating behavior simultaneously. For a specific set of parameters (i.e., period, particle shape, size, and material), it is possible to generate super-narrow surface lattice resonances (SLRs) that are caused by interference of the LSP and the grating Rayleigh anomaly. In this letter, we propose plasmonic structures based on regular 2D arrays of TiN nanodisks to generate high-Q SLRs in an important telecommunication range, which is quite difficult to achieve with conventional plasmonic materials. The position of the SLR peak can be tailored within the whole telecommunication bandwidth (from ≈ 1.26 μm to ≈ 1.62 μm) by varying the lattice period, while the Q-factor is controlled by changing nanodisk sizes. We show that the Q-factor of SLRs can reach a value of 2 × 103, which is the highest reported Q-factor for SLRs at telecommunication wavelengths so far. Tunability of optical properties, refractory behavior, and low-cost fabrication of TiN nanoparticles paves the way for manufacturing cheap nanostructures with extremely stable and adjustable electromagnetic response at telecommunication wavelengths for a large number of applications.
Tang, Qing; Lee, Yongjin; Li, Dai-Ying; Choi, Woojun; Liu, C W; Lee, Dongil; Jiang, De-En
2017-07-19
Copper electrocatalysts can reduce CO2 to hydrocarbons at high overpotentials. However, a mechanistic understanding of CO2 reduction on nanostructured Cu catalysts has been lacking. Herein we show that the structurally precise ligand-protected Cu-hydride nanoclusters, such as Cu32H20L12 (L is a dithiophosphate ligand), offer unique selectivity for electrocatalytic CO2 reduction at low overpotentials. Our density functional theory (DFT) calculations predict that the presence of the negatively charged hydrides in the copper cluster plays a critical role in determining the selectivity of the reduction product, yielding HCOOH over CO with a lower overpotential. The HCOOH formation proceeds via the lattice-hydride mechanism: first, surface hydrides reduce CO2 to HCOOH product, and then the hydride vacancies are readily regenerated by the electrochemical proton reduction. DFT calculations further predict that hydrogen evolution is less competitive than HCOOH formation at the low overpotential. Confirming the predictions, electrochemical tests of CO2 reduction on the Cu32H20L12 cluster demonstrate that HCOOH is indeed the main product at low overpotential, while H2 production dominates at higher overpotential. The unique selectivity afforded by the lattice-hydride mechanism opens the door for further fundamental and applied studies of electrocatalytic CO2 reduction by copper-hydride nanoclusters and other metal nanoclusters that contain hydrides.
Study of concrete strength heterogeneity in monolithic structures
Baiburin A.K.; Pogorelov S.N.
2012-01-01
The problem of the concrete strength heterogeneity in monolithic constructions is considered in this article.The factors, influencing on the heterogeneity are analyzed. The study results of the strength distribution over the area of the monolithic walls, floors and columns height are given. The features of the standard methods of the strength control are analyzed.The recommendations on the accounting of the established laws during the concrete strength control are given.
DEFF Research Database (Denmark)
Yue, Yuanzheng; Zhang, Yanfei
Structural heterogeneity plays a crucial role in determining functionality of glasses. In this work we have found that the sub-Tg enthalpy relaxation pattern in a hyperquenched glass is highly sensitive to structural heterogeneity. As a consequence, the former can be used as an effective approach...... we chose the glass compositions with very different glass stabilities to crystallization. By using hyperquenching-annealing-calorimetry approach, we have observed that the pattern of calorimetric response below Tg dramatically varies with glass composition. The variations are attributed to different...... to detect and quantify the structural heterogeneity in glass-forming liquids. However, the chemical nature of structural heterogeneity should be revealed by other means such as high resolution microscopic and spectroscopic methods. To study the impact of the structural heterogeneity on the sub-Tg relaxation...
Intracluster atomic and electronic structural heterogeneities in supported nanoscale metal catalysts
Elsen, A.; Jung, U.; Vila, F.; Li, Y.; Safonova, O.V.; Thomas, R.; Tromp, M.; Rehr, J.J.; Nuzzo, R.G.; Frenkel, A.I.
2015-01-01
This work reveals and quantifies the inherent intracluster heterogeneity in the atomic structure and charge distribution present in supported metal catalysts. The results demonstrate that these distributions are pronounced and strongly coupled to both structural and dynamic perturbations. They also
The Role of Habitat Heterogeneity in Structuring Mangrove Bird Assemblages
Directory of Open Access Journals (Sweden)
Jayasilan Mohd-Azlan
2015-04-01
Full Text Available Mangrove habitats are under severe land use pressure throughout the world and Australia is no exception. Here we describe the heterogeneity of mangrove habitat and its relationship with mangrove bird diversity. We examined the role of mangrove habitat complexity in determining the richness of avian mangrove dependent species (MDS and interior species, overall bird species richness and density. High species richness (overall and MDS and density in the mangroves was associated with plant species richness, the density of the understory and food resource distribution. Furthermore, habitat heterogeneity rather than patch area per se was a more important predictor of species richness in the mangroves. These findings stress the importance of habitat diversity and quality to the diversity and density of birds in mangroves. Thus, habitat heterogeneity within mangroves is a crucial patch characteristic, independent of mangrove patch size, for maintaining diverse avian species assemblages.
Energy Technology Data Exchange (ETDEWEB)
Liu, G. K.; Zhuang, H.-Z.; Beitz, J. V.
2000-11-03
The lattice structure, phonon density of states, and infrared spectrum for crystalline zircon, ZrSiO{sub 4}, have been studied using a molecular dynamics (MD) simulation method that utilizes the Born-Mayer-Huggins and Coulomb pair potentials and the Stillinger-Weber three-body potential. A lattice block of ZrSiO{sub 4}, which contains 343 unit cells with dimensions of 4.6249 x 4.6249 x 4.1874 nm{sub 3} and containing 8232 ions, was considered in our calculations. The simulated lattice structure agreed with that determined from x-ray and neutron diffraction experiments. The vibrational modes and absorption spectrum were calculated based on the simulated lattice and compared with infrared absorption spectra. Characteristic lines in infrared spectra obtained from previous experiments on natural and synthetic zircon were assigned to specific bond structures by interactive MD simulations with variation of selected potential parameters. It is shown that the O-Si-O three-body correlations in the SiO{sub 4} tetrahedron significantly influence the spectrum. It is demonstrated that the oxygen ions that are parallel and perpendicular to the c-axis in the SiO{sub 4} tetrahedron are inequivalent and make different contributions to the vibration spectrum. The energy distribution among 24 atoms in a unit cell in the 1011-cm{sup {minus}1} vibrational mode is shown in Fig. 1. Comparison between the simulated infrared absorption spectrum and that from experiments on synthetic zircon is shown in Fig. 2. The interactive method of fitting simulated results to those determined from experiments may be used as a tool for studying nanostructure and thermodynamics properties of materials. The model potentials for the ZrSiO{sub 4} lattice are refined and further applied to MD simulation of lattice disordering and line broadening that are induced by radiation damage processes and amorphization. We have further simulated alpha-decay-induced damage and dynamical recovery in the lattice of Zr
Front propagation in a regular vortex lattice: Dependence on the vortex structure
Beauvier, E.; Bodea, S.; Pocheau, A.
2017-11-01
We investigate the dependence on the vortex structure of the propagation of fronts in stirred flows. For this, we consider a regular set of vortices whose structure is changed by varying both their boundary conditions and their aspect ratios. These configurations are investigated experimentally in autocatalytic solutions stirred by electroconvective flows and numerically from kinematic simulations based on the determination of the dominant Fourier mode of the vortex stream function in each of them. For free lateral boundary conditions, i.e., in an extended vortex lattice, it is found that both the flow structure and the front propagation negligibly depend on vortex aspect ratios. For rigid lateral boundary conditions, i.e., in a vortex chain, vortices involve a slight dependence on their aspect ratios which surprisingly yields a noticeable decrease of the enhancement of front velocity by flow advection. These different behaviors reveal a sensitivity of the mean front velocity on the flow subscales. It emphasizes the intrinsic multiscale nature of front propagation in stirred flows and the need to take into account not only the intensity of vortex flows but also their inner structure to determine front propagation at a large scale. Differences between experiments and simulations suggest the occurrence of secondary flows in vortex chains at large velocity and large aspect ratios.
Thermal and structural study on the lattice compound 1,4-diammoniumbutane bis(theophyllinate)
Energy Technology Data Exchange (ETDEWEB)
Ban, Margit; Madarasz, Janos; Bombicz, Petra; Pokol, Gyoergy; Gal, Sandor
2004-10-01
Crystalline title compound (1) prepared from aqueous solution of theophylline and 1,4-diaminobutane has been structurally and thermally characterized. Both the two-step TG decomposition curve and elemental analysis of the hexagonal crystals show that it consists of theophylline and 1,4-diaminobutane in 2:1 molar ratio. Actually, presence of one type of both theophyllinate anions and 1,4-diammoniumbutane dication have been indicated by FTIR spectroscopy. The molecular structure of lattice compound (1) has been determined by single crystal X-ray diffraction, where the hydrogen positions have been obtained from differential Fourier maps. It has confirmed that the crystal is really built up from these ionic constituents bound together with an extensive net of hydrogen bonds. The coupled TG-FTIR analysis of the evolved gases has revealed that the diamine is released as a whole molecule in the first decomposition step. Clathrate 1 and the proton migration in it might serve as a structural model of solid aminophylline whose crystal structure is still unknown.
Magnetic structure and lattice contraction in Mn3NiN
Wu, Meimei; Wang, Cong; Sun, Ying; Chu, Lihua; Yan, Jun; Chen, Dongfeng; Huang, Qingzhen; Lynn, Jeffrey W.
2013-09-01
The nuclear and magnetic structures of the cubic antiperovskite compound Mn3NiN are studied using neutron powder diffraction as a function of temperature and applied magnetic field. On cooling in zero field from the paramagnetic state, an anomalous lattice expansion abruptly occurs as the long range antiferromagnetic order first develops below TN = 262 K. The magnetic structure has lower symmetry than the crystal and can be conveniently described by a rhombohedral R-3 symmetry with dimension of √2ac × √2ac × √3ac, where ac is the chemical unit cell. In this description, the magnetic moment of the Mn is restricted to the a-b plane, but continuously rotates from 90° to around 38° as the temperature decreases to ≈120 K, below which the spin directions remain fixed. The combined magnetic and structural transition exhibits a very large magnetovolume effect with an entropy change of ΔS ≈ 54 J/kg K, but the application of a 6 T magnetic field has little effect on the magnetic structure or entropy change. The crystallographic results indicate that the properties can be tailored by small changes in the composition and site vacancies, and the results enrich the understanding of the magnetostrictive effects in antiperovskites.
Electronic transport on the spatial structure of the protein: Three-dimensional lattice model
Energy Technology Data Exchange (ETDEWEB)
Sarmento, R.G. [Departamento de Ciências Biológicas, Universidade Federal do Piauí, 64800-000 Floriano, PI (Brazil); Frazão, N.F. [Centro de Educação e Saúde, Universidade Federal de Campina Grande, 581750-000 Cuité, PB (Brazil); Macedo-Filho, A., E-mail: amfilho@gmail.com [Campus Prof. Antonio Geovanne Alves de Sousa, Universidade Estadual do Piauí, 64260-000 Piripiri, PI (Brazil)
2017-01-30
Highlights: • The electronic transport on the structure of the three-dimensional lattice model of the protein is studied. • The signing of the current–voltage is directly affected by permutations of the weak bonds in the structure. • Semiconductor behave of the proteins suggest a potential application in the development of novel biosensors. - Abstract: We report a numerical analysis of the electronic transport in protein chain consisting of thirty-six standard amino acids. The protein chains studied have three-dimensional structure, which can present itself in three distinct conformations and the difference consist in the presence or absence of thirteen hydrogen-bondings. Our theoretical method uses an electronic tight-binding Hamiltonian model, appropriate to describe the protein segments modeled by the amino acid chain. We note that the presence and the permutations between weak bonds in the structure of proteins are directly related to the signing of the current–voltage. Furthermore, the electronic transport depends on the effect of temperature. In addition, we have found a semiconductor behave in the models investigated and it suggest a potential application in the development of novel biosensors for molecular diagnostics.
Current-Driven Motion of Domain Boundaries between Skyrmion Lattice and Helical Magnetic Structure.
Shibata, Kiyou; Tanigaki, Toshiaki; Akashi, Tetsuya; Shinada, Hiroyuki; Harada, Ken; Niitsu, Kodai; Shindo, Daisuke; Kanazawa, Naoya; Tokura, Yoshinori; Arima, Taka-Hisa
2018-02-14
To utilize magnetic skyrmions, nanoscale vortex-like magnetic structures, experimental elucidation of their dynamics against current application in various circumstances such as in confined structure and mixture of different magnetic phases is indispensable. Here, we investigate the current-induced dynamics of the coexistence state of magnetic skyrmions and helical magnetic structure in a thin plate of B20-type helimagnet FeGe in terms of in situ real-space observation using Lorentz transmission electron microscopy. Current pulses with various heights and widths were applied, and the change of the magnetic domain distribution was analyzed using a machine-learning technique. The observed average driving direction of the two-magnetic-state domain boundary is opposite to the applied electric current, indicating ferromagnetic s-d exchange coupling in the spin-transfer torque mechanism. The evaluated driving distance tends to increase with increasing the pulse duration time, current density (>1 × 10 9 A/m 2 ), and sample temperature, providing valuable information about hitherto unknown current-induced dynamics of the skyrmion-lattice ensemble.
The effect of high pressure on the lattice structure and dynamics of phenacenes
Capitani, F.; Höppner, M.; Malavasi, L.; Marini, C.; Dore, P.; Boeri, L.; Postorino, Paolo
2017-10-01
We studied the effect of high pressure on three phenacenes, aromatic molecules with a zig-zag configuration of the benzene rings. The lattice structure and vibrational dynamics of crystalline phenanthrene (C14H10, three benzene rings), chrysene (C18H12, four), and picene (C22H14, five) were investigated by means of X-ray diffraction and Raman measurements. Raman spectra were compared with theoretical ones obtained from ab-initio Density Functional Theory calculations. Experimental and theoretical results allowed to identify the onset of a structural transition in phenanthrene at 7.8 GPa under hydrostatic conditions and at 5.7 GPa under non-hydrostatic conditions. We found that this transition is related to a reorientantion of the molecules in the ab plane. On the contrary, chrysene and picene do not undergo any phase transition in the investigated pressure range, thus suggesting that molecular size plays an important role in the occurence of pressure induced structural modifications in aromatic compounds.
New integrable lattice hierarchies
Energy Technology Data Exchange (ETDEWEB)
Pickering, Andrew [Area de Matematica Aplicada, ESCET, Universidad Rey Juan Carlos, c/ Tulipan s/n, 28933 Mostoles, Madrid (Spain); Zhu Zuonong [Departamento de Matematicas, Universidad de Salamanca, Plaza de la Merced 1, 37008 Salamanca (Spain) and Department of Mathematics, Shanghai Jiao Tong University, Shanghai 200030 (China)]. E-mail: znzhu2@yahoo.com.cn
2006-01-23
In this Letter we give a new integrable four-field lattice hierarchy, associated to a new discrete spectral problem. We obtain our hierarchy as the compatibility condition of this spectral problem and an associated equation, constructed herein, for the time-evolution of eigenfunctions. We consider reductions of our hierarchy, which also of course admit discrete zero curvature representations, in detail. We find that our hierarchy includes many well-known integrable hierarchies as special cases, including the Toda lattice hierarchy, the modified Toda lattice hierarchy, the relativistic Toda lattice hierarchy, and the Volterra lattice hierarchy. We also obtain here a new integrable two-field lattice hierarchy, to which we give the name of Suris lattice hierarchy, since the first equation of this hierarchy has previously been given by Suris. The Hamiltonian structure of the Suris lattice hierarchy is obtained by means of a trace identity formula.
Structure and Reversibility of 2D von Neumann Cellular Automata Over Triangular Lattice
Uguz, Selman; Redjepov, Shovkat; Acar, Ecem; Akin, Hasan
2017-06-01
Even though the fundamental main structure of cellular automata (CA) is a discrete special model, the global behaviors at many iterative times and on big scales could be a close, nearly a continuous, model system. CA theory is a very rich and useful phenomena of dynamical model that focuses on the local information being relayed to the neighboring cells to produce CA global behaviors. The mathematical points of the basic model imply the computable values of the mathematical structure of CA. After modeling the CA structure, an important problem is to be able to move forwards and backwards on CA to understand their behaviors in more elegant ways. A possible case is when CA is to be a reversible one. In this paper, we investigate the structure and the reversibility of two-dimensional (2D) finite, linear, triangular von Neumann CA with null boundary case. It is considered on ternary field ℤ3 (i.e. 3-state). We obtain their transition rule matrices for each special case. For given special triangular information (transition) rule matrices, we prove which triangular linear 2D von Neumann CAs are reversible or not. It is known that the reversibility cases of 2D CA are generally a much challenged problem. In the present study, the reversibility problem of 2D triangular, linear von Neumann CA with null boundary is resolved completely over ternary field. As far as we know, there is no structure and reversibility study of von Neumann 2D linear CA on triangular lattice in the literature. Due to the main CA structures being sufficiently simple to investigate in mathematical ways, and also very complex to obtain in chaotic systems, it is believed that the present construction can be applied to many areas related to these CA using any other transition rules.
Jenett, Benjamin; Calisch, Sam; Cellucci, Daniel; Cramer, Nick; Gershenfeld, Neil; Swei, Sean; Cheung, Kenneth C
2017-03-01
We describe an approach for the discrete and reversible assembly of tunable and actively deformable structures using modular building block parts for robotic applications. The primary technical challenge addressed by this work is the use of this method to design and fabricate low density, highly compliant robotic structures with spatially tuned stiffness. This approach offers a number of potential advantages over more conventional methods for constructing compliant robots. The discrete assembly reduces manufacturing complexity, as relatively simple parts can be batch-produced and joined to make complex structures. Global mechanical properties can be tuned based on sub-part ordering and geometry, because local stiffness and density can be independently set to a wide range of values and varied spatially. The structure's intrinsic modularity can significantly simplify analysis and simulation. Simple analytical models for the behavior of each building block type can be calibrated with empirical testing and synthesized into a highly accurate and computationally efficient model of the full compliant system. As a case study, we describe a modular and reversibly assembled wing that performs continuous span-wise twist deformation. It exhibits high performance aerodynamic characteristics, is lightweight and simple to fabricate and repair. The wing is constructed from discrete lattice elements, wherein the geometric and mechanical attributes of the building blocks determine the global mechanical properties of the wing. We describe the mechanical design and structural performance of the digital morphing wing, including their relationship to wind tunnel tests that suggest the ability to increase roll efficiency compared to a conventional rigid aileron system. We focus here on describing the approach to design, modeling, and construction as a generalizable approach for robotics that require very lightweight, tunable, and actively deformable structures.
Correlation between Local Structure Order and Spatial Heterogeneity in a Metallic Glass
Zhu, Fan; Hirata, Akihiko; Liu, Pan; Song, Shuangxi; Tian, Yuan; Han, Jiuhui; Fujita, Takeshi; Chen, Mingwei
2017-11-01
Although nanoscale spatial heterogeneity of metallic glasses has been demonstrated by extensive experimental and theoretical investigations, the nature of spatial heterogeneity remains poorly known owing to the absence of a structural depiction of the inhomogeneity from experimental insight. Here we report the experimental characterization of the spatial heterogeneity of a metallic glass by utilizing state-of-the-art angstrom-beam electron diffraction and scanning transmission electron microscopy. The subnanoscale electron diffraction reveals that the nanoscale spatial heterogeneity and corresponding density fluctuation have a close correlation with the local structure variation from icosahedronlike to tetragonal crystal-like order. The structural insights of spatial heterogeneity have important implications in understanding the properties and dynamics of metallic glasses.
Lattice Instability and Competing Spin Structures in the Double Perovskite Insulator Sr2FeOsO6
Paul, Avijit Kumar; Reehuis, Manfred; Ksenofontov, Vadim; Yan, Binghai; Hoser, Andreas; Többens, Daniel M.; Abdala, Paula M.; Adler, Peter; Jansen, Martin; Felser, Claudia
2013-10-01
The semiconductor Sr2FeOsO6, depending on temperature, adopts two types of spin structures that differ in the spin sequence of ferrimagnetic iron-osmium layers along the tetragonal c axis. Neutron powder diffraction experiments, Fe57 Mössbauer spectra, and density functional theory calculations suggest that this behavior arises because a lattice instability resulting in alternating iron-osmium distances fine-tunes the balance of competing exchange interactions. Thus, Sr2FeOsO6 is an example of a double perovskite, in which the electronic phases are controlled by the interplay of spin, orbital, and lattice degrees of freedom.
Donovan, G M
2017-12-21
Asthma is a disease involving both airway remodelling (e.g. thickening of the airway wall) and acute, reversible airway narrowing driven by airway smooth muscle contraction. Both of these processes are known to be heterogeneous, and in this study we consider a new theoretical model which considers the interactions of both mechanisms: structural heterogeneity (variation in airway remodelling) and dynamic heterogeneity (emergent variation in airway narrowing and flow). By integrating both types of inter-airway heterogeneity in a full human lung geometry, we are able to draw several insights regarding the mechanisms underlying observed ventilation heterogeneity. We show that: (1) bimodal ventilation distributions are driven by paradoxical contraction/dilation patterns for airways of all sizes; (2) structural heterogeneity differences between asthmatic and control subjects significantly influences resulting lung function, and observed ventilation heterogeneity patterns; and (3) individual airway dilation probabilities are uncorrelated with prior airway remodelling of that airway. Copyright © 2017 Elsevier Ltd. All rights reserved.
Heterogeneous micro-structure of percolation in sparse networks
Kühn, Reimer; Rogers, Tim
2017-06-01
We examine the heterogeneous responses of individual nodes in sparse networks to the random removal of a fraction of edges. Using the message-passing formulation of percolation, we discover considerable variation across the network in the probability of a particular node to remain part of the giant component, and in the expected size of small clusters containing that node. In the vicinity of the percolation threshold, weakly non-linear analysis reveals that node-to-node heterogeneity is captured by the recently introduced notion of non-backtracking centrality. We supplement these results for fixed finite networks by a population dynamics approach to analyse random graph models in the infinite system size limit, also providing closed-form approximations for the large mean degree limit of Erdős-Rényi random graphs. Interpreted in terms of the application of percolation to real-world processes, our results shed light on the heterogeneous exposure of different nodes to cascading failures, epidemic spread, and information flow.
A comparison of VRML and animation of rotation for teaching 3-dimensional crystal lattice structures
Sauls, Barbara Lynn
Chemistry students often have difficulty visualizing abstract concepts of molecules and atoms, which may lead to misconceptions. The three-dimensionality of these structures presents a challenge to educators. Typical methods of teaching include text with two-dimensional graphics and structural models. Improved methods to allow visualization of 3D structures may improve learning of these concepts. This research compared the use of Virtual Reality Modeling Language (VRML) and animation of rotation for teaching three-dimensional structures. VRML allows full control of objects by altering angle, size, rotation, and provides the ability to zoom into and through objects. Animations may only be stopped, restarted and replayed. A web-based lesson teaching basic concepts of crystals, which requires comprehension of their three-dimensional structure was given to 100 freshmen chemistry students. Students were stratified by gender then randomly to one of two lessons, which were identical except for the multimedia method used to show the lattices and unit cells. One method required exploration of the structures using VRML, the other provided animations of the same structures rotating. The students worked through an examination as the lesson progressed. A Welch t' test was used to compare differences between groups. No significant difference in mean achievement was found between the two methods, between genders, or within gender. There was no significant difference in mean total SAT in the animation and VRML group. Total time on task had no significant difference nor did enjoyment of the lesson. Students, however, spent 14% less time maneuvering VRML structures than viewing the animations of rotation. Neither method proved superior for presenting three-dimensional information. The students spent less time maneuvering the VRML structures with no difference in mean score so the use of VRML may be more efficient. The investigator noted some manipulation difficulties using VRML to
A lattice Boltzmann model for substrates with regularly structured surface roughness
Yagub, A.; Farhat, H.; Kondaraju, S.; Singh, T.
2015-11-01
Superhydrophobic surface characteristics are important in many industrial applications, ranging from the textile to the military. It was observed that surfaces fabricated with nano/micro roughness can manipulate the droplet contact angle, thus providing an opportunity to control the droplet wetting characteristics. The Shan and Chen (SC) lattice Boltzmann model (LBM) is a good numerical tool, which holds strong potentials to qualify for simulating droplets wettability. This is due to its realistic nature of droplet contact angle (CA) prediction on flat smooth surfaces. But SC-LBM was not able to replicate the CA on rough surfaces because it lacks a real representation of the physics at work under these conditions. By using a correction factor to influence the interfacial tension within the asperities, the physical forces acting on the droplet at its contact lines were mimicked. This approach allowed the model to replicate some experimentally confirmed Wenzel and Cassie wetting cases. Regular roughness structures with different spacing were used to validate the study using the classical Wenzel and Cassie equations. The present work highlights the strength and weakness of the SC model and attempts to qualitatively conform it to the fundamental physics, which causes a change in the droplet apparent contact angle, when placed on nano/micro structured surfaces.
Park, Hyun Soon; Yu, Xiuzhen; Aizawa, Shinji; Tanigaki, Toshiaki; Akashi, Tetsuya; Takahashi, Yoshio; Matsuda, Tsuyoshi; Kanazawa, Naoya; Onose, Yoshinori; Shindo, Daisuke; Tonomura, Akira; Tokura, Yoshinori
2014-05-01
Skyrmions are nanoscale spin textures that are viewed as promising candidates as information carriers in future spintronic devices. Skyrmions have been observed using neutron scattering and microscopy techniques. Real-space imaging using electrons is a straightforward way to interpret spin configurations by detecting the phase shifts due to electromagnetic fields. Here, we report the first observation by electron holography of the magnetic flux and the three-dimensional spin configuration of a skyrmion lattice in Fe(0.5)Co(0.5)Si thin samples. The magnetic flux inside and outside a skyrmion was directly visualized and the handedness of the magnetic flux flow was found to be dependent on the direction of the applied magnetic field. The electron phase shifts φ in the helical and skyrmion phases were determined using samples with a stepped thickness t (from 55 nm to 510 nm), revealing a linear relationship (φ = 0.00173 t). The phase measurements were used to estimate the three-dimensional structures of both the helical and skyrmion phases, demonstrating that electron holography is a useful tool for studying complex magnetic structures and for three-dimensional, real-space mapping of magnetic fields.
Effect of chromium substitution on crystal and lattice structure of soft manganese zinc ferrites
Yadav, Anand; Varshney, Dinesh
2017-05-01
Chromium-doped manganese-zinc ferrite samples were prepared by solid-state reaction route to probe the effect of chromium ion on the crystal and lattice structure of mixed manganese-zinc ferrite. X-ray diffraction patterns reveal that Mn0.5Zn0.5-xCrxFe2O4 (x = 0.0, 0.1, 0.2, 0.3, 0.4 and 0.5) ferrite has polycrystalline cubic spinel structure with some secondary phase of α-Fe2O3. The Raman spectra reveal four Raman active phonon modes in the measurement range of 200-750 cm-1 with small shift in Raman modes towards higher wave number. The average particle size for Mn0.5Zn0.5Fe2O4 is found to be 37.28 nm which reduces to 33.64 nm for Mn0.5Cr0.5Fe2O4. As the ion doping of chromium increases, the modes of vibration are found to shift towards higher wavelength and blueshift is attributed to the higher ionic radii of Cr2+ as compared to Zn2+.
MONTE CARLO SIMULATIONS OF THE ADSORPTION OF DIMERS ON STRUCTURED HETEROGENEOUS SURFACES
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Abreu C.R.A.
2001-01-01
Full Text Available The effect of surface topography upon the adsorption of dimer molecules is analyzed by means of grand canonical ensemble Monte Carlo simulations. Heterogeneous surfaces were assumed to consist of a square lattice containing active sites with two different energies. These were distributed in three different configurations: a random distribution of isolated sites; a random distribution of grains with four high-energy sites; and a random distribution of grains with nine high-energy sites. For the random distribution of isolated sites, the results are in good agreement with the molecular simulations performed by Nitta et al. (1997. In general, the comparison with theoretical models shows that the Nitta et al. (1984 isotherm presents good predictions of dimer adsorption both on homogeneous and heterogeneous surfaces with sites having small differences in characteristic energies. The molecular simulation results also show that the energy topology of the solid surfaces plays an important role in the adsorption of dimers on solids with large differences in site energies. For these cases, the Nitta et al. model does not describe well the data on dimer adsorption on random heterogeneous surfaces (grains with one acid site, but does describe reasonably well the adsorption of dimers on more patchwise heterogeneous surfaces (grains with nine acid sites.
Extinction and the associative structure of heterogeneous instrumental chains.
Thrailkill, Eric A; Bouton, Mark E
2016-09-01
Drug abuse, overeating, and smoking are all examples of instrumental behaviors that often involve chains or sequences of behavior. A behavior chain is minimally composed of a procurement response that is required in order for a subsequent consumption response to be reinforced. Despite the translational importance of behavior chains, few studies have attempted to understand what binds them together and takes them apart. This article surveys the development of the heterogeneous instrumental chain method and introduces recent findings that have used extinction to analyze the associative content of (what is learned in) the chain. Chained responses that are occasion-set by their own discriminative stimuli may be directly associated; extinction of the procurement response weakens its associated consumption response, and extinction of the consumption response weakens its associated procurement response. Extinction itself involves learning to inhibit the response. Extinguished chained responses are subject to renewal when they are tested either back in the acquisition context or in a new context. In addition, a consumption response that is extinguished outside its chain is renewed when returned to the context of the preceding response in the chain. Research on heterogeneous behavior chains can provide important insights into an important but often overlooked aspect of instrumental learning. Copyright © 2016 Elsevier Inc. All rights reserved.
Structure optimisation by thermal cycling for the hydrophobic-polar lattice model of protein folding
Günther, Florian; Möbius, Arnulf; Schreiber, Michael
2017-03-01
The function of a protein depends strongly on its spatial structure. Therefore the transition from an unfolded stage to the functional fold is one of the most important problems in computational molecular biology. Since the corresponding free energy landscapes exhibit huge numbers of local minima, the search for the lowest-energy configurations is very demanding. Because of that, efficient heuristic algorithms are of high value. In the present work, we investigate whether and how the thermal cycling (TC) approach can be applied to the hydrophobic-polar (HP) lattice model of protein folding. Evaluating the efficiency of TC for a set of two- and three-dimensional examples, we compare the performance of this strategy with that of multi-start local search (MSLS) procedures and that of simulated annealing (SA). For this aim, we incorporated several simple but rather efficient modifications into the standard procedures: in particular, a strong improvement was achieved by also allowing energy conserving state modifications. Furthermore, the consideration of ensembles instead of single samples was found to greatly improve the efficiency of TC. In the framework of different benchmarks, for all considered HP sequences, we found TC to be far superior to SA, and to be faster than Wang-Landau sampling.
Bueno-Orovio, Alfonso; Kay, David; Grau, Vicente; Rodriguez, Blanca; Burrage, Kevin
2014-08-06
Impulse propagation in biological tissues is known to be modulated by structural heterogeneity. In cardiac muscle, improved understanding on how this heterogeneity influences electrical spread is key to advancing our interpretation of dispersion of repolarization. We propose fractional diffusion models as a novel mathematical description of structurally heterogeneous excitable media, as a means of representing the modulation of the total electric field by the secondary electrical sources associated with tissue inhomogeneities. Our results, analysed against in vivo human recordings and experimental data of different animal species, indicate that structural heterogeneity underlies relevant characteristics of cardiac electrical propagation at tissue level. These include conduction effects on action potential (AP) morphology, the shortening of AP duration along the activation pathway and the progressive modulation by premature beats of spatial patterns of dispersion of repolarization. The proposed approach may also have important implications in other research fields involving excitable complex media.
Polarized Raman study on the lattice structure of BiFeO3 films prepared by pulsed laser deposition
Yang, Yang
2014-11-01
Polarized Raman spectroscopy was used to study the lattice structure of BiFeO3 films on different substrates prepared by pulsed laser deposition. Interestingly, the Raman spectra of BiFeO3 films exhibit distinct polarization dependences. The symmetries of the fundamental Raman modes in 50-700 cm-1 were identified based on group theory. The symmetries of the high order Raman modes in 900-1500 cm-1 of BiFeO3 are determined for the first time, which can provide strong clarifications to the symmetry of the fundamental peaks in 400-700 cm-1 in return. Moreover, the lattice structures of BiFeO3 films are identified consequently on the basis of Raman spectroscopy. BiFeO3 films on SrRuO3 coated SrTiO3 (0 0 1) substrate, CaRuO3 coated SrTiO3 (0 0 1) substrate and tin-doped indium oxide substrate are found to be in the rhombohedral structure, while BiFeO3 film on SrRuO3 coated Nb: SrTiO3 (0 0 1) substrate is in the monoclinic structure. Our results suggest that polarized Raman spectroscopy would be a feasible tool to study the lattice structure of BiFeO3 films.
Limei Tian; Jin, E.; Ziyuan Li; Haoran Mei; Yinci Wang; Yangeng Shang
2015-01-01
Studies have shown that the structure of dolphin skin controls fluid media dynamically. Gaining inspiration from this phenomenon, a kind of bionic structural heterogeneous composite material was designed. The bionic structural heterogeneous composite material is composed of two materials: a rigid metal base layer with bionic structures and an elastic polymer surface layer with the corresponding mirror structures. The fluid control mechanism of the bionic structural heterogeneous composite mat...
Ginzburg, Irina; Silva, Goncalo; Talon, Laurent
2015-02-01
This work focuses on the numerical solution of the Stokes-Brinkman equation for a voxel-type porous-media grid, resolved by one to eight spacings per permeability contrast of 1 to 10 orders in magnitude. It is first analytically demonstrated that the lattice Boltzmann method (LBM) and the linear-finite-element method (FEM) both suffer from the viscosity correction induced by the linear variation of the resistance with the velocity. This numerical artefact may lead to an apparent negative viscosity in low-permeable blocks, inducing spurious velocity oscillations. The two-relaxation-times (TRT) LBM may control this effect thanks to free-tunable two-rates combination Λ. Moreover, the Brinkman-force-based BF-TRT schemes may maintain the nondimensional Darcy group and produce viscosity-independent permeability provided that the spatial distribution of Λ is fixed independently of the kinematic viscosity. Such a property is lost not only in the BF-BGK scheme but also by "partial bounce-back" TRT gray models, as shown in this work. Further, we propose a consistent and improved IBF-TRT model which vanishes viscosity correction via simple specific adjusting of the viscous-mode relaxation rate to local permeability value. This prevents the model from velocity fluctuations and, in parallel, improves for effective permeability measurements, from porous channel to multidimensions. The framework of our exact analysis employs a symbolic approach developed for both LBM and FEM in single and stratified, unconfined, and bounded channels. It shows that even with similar bulk discretization, BF, IBF, and FEM may manifest quite different velocity profiles on the coarse grids due to their intrinsic contrasts in the setting of interface continuity and no-slip conditions. While FEM enforces them on the grid vertexes, the LBM prescribes them implicitly. We derive effective LBM continuity conditions and show that the heterogeneous viscosity correction impacts them, a property also shared
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Ігор Федорович Ткаченко
2017-06-01
Full Text Available Theoretical analysis of the dislocation subgrain boundary (DSB influence on the microstructure formation at the equilibrium heterogeneous polymorphic phase transformations in polycrystalline alloys has been carried out. Based on the dislocation structure of the DSB and its tendency of reaching equilibrium, evolution of the internal state for the various types of DSB (twisting and tilting and corresponding elastic strain fields has been considered. Redistribution is shown to develop during the transformation of the crystal elastic energy from the twist to the tilt DSB formed, respectively, by screw and edge dislocations. Localization of the elastic energy on the tilt DSB in the equilibrium crystal state is shown due to the dislocation reactions development between screw dislocations within the corresponding mutually crossing arrays. Taking into account the crystalline lattice elastic distortions around solute atoms and interaction of the atoms with grain boundaries (GB, the analogous chemical element space distributions are shown to appear on DSB and GB. Forming of structure components of specific morphology resulting from the distributions is shown. The possibility to form homogeneous space distributions of atoms as well as dispersed structural constituents under optimal thermal treatment has been stated. Metallographic investigations were conducted using alloy steels of various chemical compositions. Main conclusions of the theoretical analysis have been confirmed by the experimental results
Kumar, Dablu; Ranjan, Rakesh
2018-03-01
12-Core 5-LP mode homogeneous multicore fibers have been proposed for analysis of inter-core crosstalk and dispersion, with four different lattice structures (circular, 2-ring, square lattice, and triangular lattice) having cladding diameter of 200 μm and a fixed cladding thickness of 35 μm. The core-to-core crosstalk impact has been studied numerically with respect to bending radius, core pitch, transmission distance, wavelength, and core diameter for all 5-LP modes. In anticipation of further reduction in crosstalk levels, the trench-assisted cores have been incorporated for all respective designs. Ultra-low crosstalk (-138 dB/100 km) has been achieved through the triangular lattice arrangement, with trench depth Δ2 = -1.40% for fundamental (LP01) mode. It has been noted that the impact of mode polarization on crosstalk behavior is minor, with difference in crosstalk levels between two polarized spatial modes as ≤0.2 dB. Moreover, the optimized cladding diameter has been obtained for all 5-LP modes for a target value of crosstalk of -50 dB/100 km, with all the core arrangements. The dispersion characteristic has also been analyzed with respect to wavelength, which is nearly 2.5 ps/nm km at operating wavelength 1550 nm. The relative core multiplicity factor (RCMF) for the proposed design is obtained as 64.
Structural signatures of dynamic heterogeneities in monolayers of colloidal ellipsoids
Zheng, Zhongyu; Ni, Ran|info:eu-repo/dai/nl/314569227; Wang, Feng; Dijkstra, Marjolein|info:eu-repo/dai/nl/123538807; Wang, Yuren; Han, Yilong
2014-01-01
When a liquid is supercooled towards the glass transition, its dynamics drastically slows down, whereas its static structure remains relatively unchanged. Finding a structural signature of the dynamic slowing down is a major challenge, yet it is often too subtle to be uncovered. Here we discover the
Cryo-electron Microscopy Analysis of Structurally Heterogeneous Macromolecular Complexes.
Jonić, Slavica
2016-01-01
Cryo-electron microscopy (cryo-EM) has for a long time been a technique of choice for determining structure of large and flexible macromolecular complexes that were difficult to study by other experimental techniques such as X-ray crystallography or nuclear magnetic resonance. However, a fast development of instruments and software for cryo-EM in the last decade has allowed that a large range of complexes can be studied by cryo-EM, and that their structures can be obtained at near-atomic resolution, including the structures of small complexes (e.g., membrane proteins) whose size was earlier an obstacle to cryo-EM. Image analysis to identify multiple coexisting structures in the same specimen (multiconformation reconstruction) is now routinely done both to solve structures at near-atomic resolution and to study conformational dynamics. Methods for multiconformation reconstruction and latest examples of their applications are the focus of this review.
Saib, S.; Bouarissa, N.
2017-10-01
In this study we report on the influence of hydrostatic pressure on structural, elastic, lattice dynamical and thermal properties of Li2S in the anti-fluorite structure using ab initio pseudopotential approach based on the density functional perturbation theory. Our results are found to be in good agreement with those existing in the literature. The present phonon dispersion spectra, dielectric constants and Born effective charges may be seen as the first investigation for the material under load. The pressure dependence of all features of interest has been examined and discussed. Besides, the temperature dependence of the lattice parameter and bulk modulus is predicted. The generalized elastic stability criteria showed that the material of interest is mechanically unstable for pressures beyond 55 GPa.
The Investigation of Structure Heterogeneous Joint Welds in Pipelines
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Lyubimova Lyudmila
2016-01-01
Full Text Available Welding joints of dissimilar steels don’t withstand design life. One of the important causes of premature destructions can be the acceleration of steel structural degradation due to cyclic mechanical and thermal gradients. Two zones of tube from steel 12H18N9T, exhibiting the structural instability at early stages of the decomposition of a supersaturated solid austenite solution, were subjected to investigation. Methods of x-ray spectral and structure analysis, micro hardnessmetry were applied for the research. Made the following conclusions, inside and outside tube wall surfaces of hazardous zones in welding joint have different technological and resource characteristics. The microhardness very sensitive to changes of metal structure and can be regarded as integral characteristic of strength and ductility. The welding processes are responsible for the further fibering of tube wall structure, they impact to the characteristics of hot-resistance and long-term strength due to development of ring cracks in the welding joint of pipeline. The monitoring of microhardness and structural phase conversions can be used for control by changes of mechanical properties in result of post welding and reductive heat treatment of welding joints.
Energy Technology Data Exchange (ETDEWEB)
Zargarian, A.; Esfahanian, M. [Department of Mechanical Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Kadkhodapour, J., E-mail: j.kad@srttu.edu [Department of Mechanical Engineering, Shahid Rajaee Teacher Training University, Tehran (Iran, Islamic Republic of); Institute for Materials Testing, Materials Science and Strength of Materials (IMWF), University of Stuttgart, Stuttgart (Germany); Ziaei-Rad, S. [Department of Mechanical Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)
2016-03-01
In this paper, the effects of cell geometry and relative density on the high-cycle fatigue behavior of Titanium scaffolds produced by selective laser melting and electron beam melting techniques were numerically investigated by finite element analysis. The regular titanium lattice samples with three different unit cell geometries, namely, diamond, rhombic dodecahedron and truncated cuboctahedron, and the relative density range of 0.1–0.3 were analyzed under uniaxial cyclic compressive loading. A failure event based algorithm was employed to simulate fatigue failure in the cellular material. Stress-life approach was used to model fatigue failure of both bulk (struts) and cellular material. The predicted fatigue life and the damage pattern of all three structures were found to be in good agreement with the experimental fatigue investigations published in the literature. The results also showed that the relationship between fatigue strength and cycles to failure obeyed the power law. The coefficient of power function was shown to depend on relative density, geometry and fatigue properties of the bulk material while the exponent was only dependent on the fatigue behavior of the bulk material. The results also indicated the failure surface at an angle of 45° to the loading direction. - Highlights: • Numerical simulation was used to predict fatigue behavior of titanium scaffolds. • Good agreement between numerical and experimental results • S–N curves obeyed the power law. • Fatigue strength of scaffolds was proportional to their Young's modulus. • Failure surface of scaffolds was inclined at an angle of 45° to loading.
Energy Technology Data Exchange (ETDEWEB)
Schaefer, Stefan [DESY (Germany). Neumann Inst. for Computing
2016-11-01
These configurations are currently in use in many on-going projects carried out by researchers throughout Europe. In particular this data will serve as an essential input into the computation of the coupling constant of QCD, where some of the simulations are still on-going. But also projects computing the masses of hadrons and investigating their structure are underway as well as activities in the physics of heavy quarks. As this initial project of gauge field generation has been successful, it is worthwhile to extend the currently available ensembles with further points in parameter space. These will allow to further study and control systematic effects like the ones introduced by the finite volume, the non-physical quark masses and the finite lattice spacing. In particular certain compromises have still been made in the region where pion masses and lattice spacing are both small. This is because physical pion masses require larger lattices to keep the effects of the finite volume under control. At light pion masses, a precise control of the continuum extrapolation is therefore difficult, but certainly a main goal of future simulations. To reach this goal, algorithmic developments as well as faster hardware will be needed.
Wang, Qi Jie; Zhang, Ying; Soh, Yeng Chai
2005-12-01
This paper presents a novel lattice optical delay-line circuit using 3 × 3 directional couplers to implement three-port optical interleaving filters. It is shown that the proposed circuit can deliver three channels of 2pi/3 phase-shifted interleaving transmission spectra if the coupling ratios of the last two directional couplers are selected appropriately. The other performance requirements of an optical interleaver can be achieved by designing the remaining part of the lattice circuit. A recursive synthesis design algorithm is developed to calculate the design parameters of the lattice circuit that will yield the desired filter response. As illustrative examples, interleavers with maximally flat-top passband transmission and with given transmission performance on passband ripples and passband bandwidth, respectively, are designed to verify the effectiveness of the proposed design scheme.
Modulation of the photonic band structure topology of a honeycomb lattice in an atomic vapor
Zhang, Yiqi; Belić, Milivoj R; Wu, Zhenkun; Zhang, Yanpeng
2015-01-01
In an atomic vapor, a honeycomb lattice can be constructed by utilizing the three-beam interference method. In the method, the interference of the three beams splits the dressed energy level periodically, forming a periodic refractive index modulation with the honeycomb profile. The energy band topology of the honeycomb lattice can be modulated by frequency detunings, thereby affecting the appearance (and disappearance) of Dirac points and cones in the momentum space. This effect can be usefully exploited for the generation and manipulation of topological insulators.
Modulation of the photonic band structure topology of a honeycomb lattice in an atomic vapor
Energy Technology Data Exchange (ETDEWEB)
Zhang, Yiqi, E-mail: zhangyiqi@mail.xjtu.edu.cn [Key Laboratory for Physical Electronics and Devices of the Ministry of Education & Shaanxi Key Lab of Information Photonic Technique, Xi’an Jiaotong University, Xi’an 710049 (China); Liu, Xing [Key Laboratory for Physical Electronics and Devices of the Ministry of Education & Shaanxi Key Lab of Information Photonic Technique, Xi’an Jiaotong University, Xi’an 710049 (China); Belić, Milivoj R., E-mail: milivoj.belic@qatar.tamu.edu [Science Program, Texas A& M University at Qatar, P.O. Box 23874 Doha (Qatar); Wu, Zhenkun [Key Laboratory for Physical Electronics and Devices of the Ministry of Education & Shaanxi Key Lab of Information Photonic Technique, Xi’an Jiaotong University, Xi’an 710049 (China); Zhang, Yanpeng, E-mail: ypzhang@mail.xjtu.edu.cn [Key Laboratory for Physical Electronics and Devices of the Ministry of Education & Shaanxi Key Lab of Information Photonic Technique, Xi’an Jiaotong University, Xi’an 710049 (China)
2015-12-15
In an atomic vapor, a honeycomb lattice can be constructed by utilizing the three-beam interference method. In the method, the interference of the three beams splits the dressed energy level periodically, forming a periodic refractive index modulation with the honeycomb profile. The energy band topology of the honeycomb lattice can be modulated by frequency detunings, thereby affecting the appearance (and disappearance) of Dirac points and cones in the momentum space. This effect can be usefully exploited for the generation and manipulation of topological insulators.
Mozafari, Elham; Alling, Björn; Belov, Maxim P.; Abrikosov, Igor A.
2018-01-01
Using the disordered local moments approach in combination with the ab initio molecular dynamics method, we simulate the behavior of a paramagnetic phase of NiO at finite temperatures to investigate the effect of magnetic disorder, thermal expansion, and lattice vibrations on its electronic structure. In addition, we study its lattice dynamics. We verify the reliability of our theoretical scheme via comparison of our results with available experiment and earlier theoretical studies carried out within static approximations. We present the phonon dispersion relations for the paramagnetic rock-salt (B1) phase of NiO and demonstrate that it is dynamically stable. We observe that including the magnetic disorder to simulate the paramagnetic phase has a small yet visible effect on the band gap. The amplitude of the local magnetic moment of Ni ions from our calculations for both antiferromagnetic and paramagnetic phases agree well with other theoretical and experimental values. We demonstrate that the increase of temperature up to 1000 K does not affect the electronic structure strongly. Taking into account the lattice vibrations and thermal expansion at higher temperatures have a major impact on the electronic structure, reducing the band gap from ˜3.5 eV at 600 K to ˜2.5 eV at 2000 K. We conclude that static lattice approximations can be safely employed in simulations of the paramagnetic state of NiO up to relatively high temperatures (˜1000 K), but as we get closer to the melting temperature vibrational effects become quite large and therefore should be included in the calculations.
Flannery, Darragh; O'Donoghue, Cathal
2013-01-01
In this paper we estimate a structural model of higher education participation and labour choices in a static setting that accounts for individual heterogeneity and possible nesting structures in the decision process. We assume that young people that complete upper secondary education are faced with three choices, go to higher education, not go to…
Directory of Open Access Journals (Sweden)
M. AKBARI
2013-12-01
Full Text Available Energy group structure has a significant effect on the results of multigroup transport calculations. It is known that UO2–PUO2 (MOX is a recently developed fuel which consumes recycled plutonium. For such fuel which contains various resonant nuclides, the selection of energy group structure is more crucial comparing to the UO2 fuels. In this paper, in order to improve the accuracy of the integral results in MOX thermal lattices calculated by WIMSD-5B code, a swarm intelligence method is employed to optimize the energy group structure of WIMS library. In this process, the NJOY code system is used to generate the 69 group cross sections of WIMS code for the specified energy structure. In addition, the multiplication factor and spectral indices are compared against the results of continuous energy MCNP-4C code for evaluating the energy group structure. Calculations performed in four different types of H2O moderated UO2–PuO2 (MOX lattices show that the optimized energy structure obtains more accurate results in comparison with the WIMS original structure.
Directory of Open Access Journals (Sweden)
Sanchari Banerjee
2016-07-01
Full Text Available Macromolecular crystals for X-ray diffraction studies are typically grown in vitro from pure and homogeneous samples; however, there are examples of protein crystals that have been identified in vivo. Recent developments in micro-crystallography techniques and the advent of X-ray free-electron lasers have allowed the determination of several protein structures from crystals grown in cellulo. Here, an atomic resolution (1.2 Å crystal structure is reported of heterogeneous milk proteins grown inside a living organism in their functional niche. These in vivo-grown crystals were isolated from the midgut of an embryo within the only known viviparous cockroach, Diploptera punctata. The milk proteins crystallized in space group P1, and a structure was determined by anomalous dispersion from the native S atoms. The data revealed glycosylated proteins that adopt a lipocalin fold, bind lipids and organize to form a tightly packed crystalline lattice. A single crystal is estimated to contain more than three times the energy of an equivalent mass of dairy milk. This unique storage form of nourishment for developing embryos allows access to a constant supply of complete nutrients. Notably, the crystalline cockroach-milk proteins are highly heterogeneous with respect to amino-acid sequence, glycosylation and bound fatty-acid composition. These data present a unique example of protein heterogeneity within a single in vivo-grown crystal of a natural protein in its native environment at atomic resolution.
The analytic structure of lattice models–Why can't we solve most ...
Indian Academy of Sciences (India)
We investigate the solvability of a variety of well-known problems in lattice statistical mechanics. We provide a new numerical procedure which enables one to conjecture whether the solution falls into a class of functions called differentiably finite functions. Almost all solved problems fall into this class. The fact that one can ...
Energy Technology Data Exchange (ETDEWEB)
Shindler, A. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC
2007-07-15
I review the theoretical foundations, properties as well as the simulation results obtained so far of a variant of the Wilson lattice QCD formulation: Wilson twisted mass lattice QCD. Emphasis is put on the discretization errors and on the effects of these discretization errors on the phase structure for Wilson-like fermions in the chiral limit. The possibility to use in lattice simulations different lattice actions for sea and valence quarks to ease the renormalization patterns of phenomenologically relevant local operators, is also discussed. (orig.)
Directory of Open Access Journals (Sweden)
Mayu Miki
2014-05-01
Full Text Available We report on theoretical and experimental investigations of optical wave propagations in two-dimensional photonic lattice structures formed in a holographic polymer-dispersed liquid crystal (HPDLC film. In the theoretical analysis we employed the 2×2 matrix formulation and the statistical thermodynamics model to analyze the formation of anisotropic photonic lattice structures by holographic polymerization. The influence of multiple reflections inside an HPDLC film on the formed refractive index distribution was taken into account in the analysis. In the experiment we fabricated two-dimensional photonic lattice structures in an HPDLC film under three-beam interference holographic polymerization and performed optical measurements of spectral transmittances and wavelength dispersion. We also demonstrated the electrical control capability of the fabricated photonic lattice structure and its dependence on incident wave polarization. These measured results were compared with the calculated ones by means of photonic band and beam propagation calculations.
Miki, Mayu; Ohira, Ryuichiro; Tomita, Yasuo
2014-01-01
We report on theoretical and experimental investigations of optical wave propagations in two-dimensional photonic lattice structures formed in a holographic polymer-dispersed liquid crystal (HPDLC) film. In the theoretical analysis we employed the 2 × 2 matrix formulation and the statistical thermodynamics model to analyze the formation of anisotropic photonic lattice structures by holographic polymerization. The influence of multiple reflections inside an HPDLC film on the formed refractive index distribution was taken into account in the analysis. In the experiment we fabricated two-dimensional photonic lattice structures in an HPDLC film under three-beam interference holographic polymerization and performed optical measurements of spectral transmittances and wavelength dispersion. We also demonstrated the electrical control capability of the fabricated photonic lattice structure and its dependence on incident wave polarization. These measured results were compared with the calculated ones by means of photonic band and beam propagation calculations. PMID:28788643
Miki, Mayu; Ohira, Ryuichiro; Tomita, Yasuo
2014-05-07
We report on theoretical and experimental investigations of optical wave propagations in two-dimensional photonic lattice structures formed in a holographic polymer-dispersed liquid crystal (HPDLC) film. In the theoretical analysis we employed the 2×2 matrix formulation and the statistical thermodynamics model to analyze the formation of anisotropic photonic lattice structures by holographic polymerization. The influence of multiple reflections inside an HPDLC film on the formed refractive index distribution was taken into account in the analysis. In the experiment we fabricated two-dimensional photonic lattice structures in an HPDLC film under three-beam interference holographic polymerization and performed optical measurements of spectral transmittances and wavelength dispersion. We also demonstrated the electrical control capability of the fabricated photonic lattice structure and its dependence on incident wave polarization. These measured results were compared with the calculated ones by means of photonic band and beam propagation calculations.
Active Optical Lattice Filters
Directory of Open Access Journals (Sweden)
Gary Evans
2005-06-01
Full Text Available Optical lattice filter structures including gains are introduced and analyzed. The photonic realization of the active, adaptive lattice filter is described. The algorithms which map between gains space and filter coefficients space are presented and studied. The sensitivities of filter parameters with respect to gains are derived and calculated. An example which is relevant to adaptive signal processing is also provided.
Probing structural heterogeneities and conformational fluctuations of biopolymers
Energy Technology Data Exchange (ETDEWEB)
Laurence, T; Kong, X; Jaeger, M; Weiss, S
2004-12-15
We study protein and nucleic acid structure and dynamics using single-molecule fluorescence resonance energy transfer measurements with alternating-laser excitation. Freely diffusing molecules are sorted into subpopulations based on stoichiometry, detecting donor and acceptor coincidence for periods over 100 {micro}s-1 ms. Faster (< 100 {micro}s) fluctuating distance distributions are studied within these subpopulations using time-resolved single photon counting measurements. We find that short double-stranded DNA (dsDNA) is more flexible than expected from persistence lengths measured on long dsDNA. We find that the electrostatic portion of the persistence length of single-stranded poly-dT varies as the ionic strength (I) to the -1/2 power (I{sup -1/2}). Lastly, we find that the unfolded protein Chymotrypsin Inhibitor 2 (CI2) is unstructured at high denaturant. However, in the presence of folded CI2 (at lower denaturant), unfolded CI2 is more compact and displays larger distance fluctuations, possibly due to unsuccessful attempts to cross the folding barrier.
Adaptations in Electronic Structure Calculations in Heterogeneous Environments
Energy Technology Data Exchange (ETDEWEB)
Talamudupula, Sai [Iowa State Univ., Ames, IA (United States)
2011-01-01
Modern quantum chemistry deals with electronic structure calculations of unprecedented complexity and accuracy. They demand full power of high-performance computing and must be in tune with the given architecture for superior e ciency. To make such applications resourceaware, it is desirable to enable their static and dynamic adaptations using some external software (middleware), which may monitor both system availability and application needs, rather than mix science with system-related calls inside the application. The present work investigates scienti c application interlinking with middleware based on the example of the computational chemistry package GAMESS and middleware NICAN. The existing synchronous model is limited by the possible delays due to the middleware processing time under the sustainable runtime system conditions. Proposed asynchronous and hybrid models aim at overcoming this limitation. When linked with NICAN, the fragment molecular orbital (FMO) method is capable of adapting statically and dynamically its fragment scheduling policy based on the computing platform conditions. Signi cant execution time and throughput gains have been obtained due to such static adaptations when the compute nodes have very di erent core counts. Dynamic adaptations are based on the main memory availability at run time. NICAN prompts FMO to postpone scheduling certain fragments, if there is not enough memory for their immediate execution. Hence, FMO may be able to complete the calculations whereas without such adaptations it aborts.
Energy Technology Data Exchange (ETDEWEB)
Jonkman, Jason [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Damiani, Rick R [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Struve, Achim [University of Applied Sciences Flensburg; Faber, Torsten [University of Applied Sciences Flensburg; Ummenhofer, Thomas [Karlsruhe Institute of Technology
2017-11-07
The call for more cost-effective and environmentally friendly tower concepts is motivated by tower costs [1] and tower CO2-emission contributions [2], which are high relative to the whole wind turbine system. The proposed rotatable tower concept with yaw bearing at the bottom instead of the top of the tower will provide beneficial economic and environmental impacts to the turbine system. This wind alignment capability indicates a load-direction-derived tower design. By combining this approach with a lattice concept, large material and cost savings for the tower can be achieved. This paper presents a way to analyze and verify the proposed design through aero-servo-elastic simulations, which make future certifications of rotatable tower concepts viable. For this reason, the state-of-the-art, open-source lattice-tower finite-element-method (FEM) module SubDyn [10], developed by the National Renewable Energy Laboratory, has been modified to account for arbitrary member cross-sections. Required changes in the beam element stiffness and mass matrix formulation took place according to an energy method [13]. All validated adaptions will be usable within the aero-servo-elastic simulation framework FAST and are also beneficial for other nonrotatable lattice structures.
Heterogeneous lamella structure unites ultrafine-grain strength with coarse-grain ductility.
Wu, Xiaolei; Yang, Muxin; Yuan, Fuping; Wu, Guilin; Wei, Yujie; Huang, Xiaoxu; Zhu, Yuntian
2015-11-24
Grain refinement can make conventional metals several times stronger, but this comes at dramatic loss of ductility. Here we report a heterogeneous lamella structure in Ti produced by asymmetric rolling and partial recrystallization that can produce an unprecedented property combination: as strong as ultrafine-grained metal and at the same time as ductile as conventional coarse-grained metal. It also has higher strain hardening than coarse-grained Ti, which was hitherto believed impossible. The heterogeneous lamella structure is characterized with soft micrograined lamellae embedded in hard ultrafine-grained lamella matrix. The unusual high strength is obtained with the assistance of high back stress developed from heterogeneous yielding, whereas the high ductility is attributed to back-stress hardening and dislocation hardening. The process discovered here is amenable to large-scale industrial production at low cost, and might be applicable to other metal systems.
Heterogeneous seeding of HET-s(218–289) and the mutability of prion structures
Energy Technology Data Exchange (ETDEWEB)
Wan, William; Stubbs, Gerald
2014-02-18
One fundamental property of prions is the formation of strains—prions that have distinct biological effects, despite a common amino acid sequence. The strain phenomenon is thought to be caused by the formation of different molecular structures, each encoding for a particular biological activity. While the precise mechanism of the formation of strains is unknown, they tend to arise following environmental changes, such as passage between different species. One possible mechanism discussed here is heterogeneous seeding; the formation of a prion nucleated by a different molecular structure. While heterogeneous seeding is not the only mechanism of prion mutation, it is consistent with some observations on species adaptation and drug resistance. Heterogeneous seeding provides a useful framework to understand how prions can adapt to new environmental conditions and change biological phenotypes.
Mei, Ren-Wei; Shyy, Wei; Yu, Da-Zhi; Luo, Li-Shi; Rudy, David (Technical Monitor)
2001-01-01
The lattice Boltzmann equation (LBE) is a kinetic formulation which offers an alternative computational method capable of solving fluid dynamics for various systems. Major advantages of the method are owing to the fact that the solution for the particle distribution functions is explicit, easy to implement, and the algorithm is natural to parallelize. In this final report, we summarize the works accomplished in the past three years. Since most works have been published, the technical details can be found in the literature. Brief summary will be provided in this report. In this project, a second-order accurate treatment of boundary condition in the LBE method is developed for a curved boundary and tested successfully in various 2-D and 3-D configurations. To evaluate the aerodynamic force on a body in the context of LBE method, several force evaluation schemes have been investigated. A simple momentum exchange method is shown to give reliable and accurate values for the force on a body in both 2-D and 3-D cases. Various 3-D LBE models have been assessed in terms of efficiency, accuracy, and robustness. In general, accurate 3-D results can be obtained using LBE methods. The 3-D 19-bit model is found to be the best one among the 15-bit, 19-bit, and 27-bit LBE models. To achieve desired grid resolution and to accommodate the far field boundary conditions in aerodynamics computations, a multi-block LBE method is developed by dividing the flow field into various blocks each having constant lattice spacing. Substantial contribution to the LBE method is also made through the development of a new, generalized lattice Boltzmann equation constructed in the moment space in order to improve the computational stability, detailed theoretical analysis on the stability, dispersion, and dissipation characteristics of the LBE method, and computational studies of high Reynolds number flows with singular gradients. Finally, a finite difference-based lattice Boltzmann method is
Effect of pressure and doping on lattice structure of zinc oxide
Energy Technology Data Exchange (ETDEWEB)
Zolfaghari, Mahmoud, E-mail: mzolfaghari@phys.usb.ac.ir
2017-01-15
The semiconductor ZnO belongs to the IIb-VI binary compound. It has a high exciton binding energy of 60 meV. The bonding in these materials is covalent with some ionic character. Induced changes on the physical properties of Mn doped ZnO samples due to different dopant concentrations and pressure were evaluated. The results obtained showed higher solubility limit for Mn doped ZnO due to pressure. The trend of XRD results for higher Mn concentration (9 at%) as pressure increases, was towards doping improvement. The XRD, SEM and UV–vis study of the samples also revealed that there were variations in the lattice parameters, nanoparticle size and bandgap energy of the doped and pressurized doped samples. Further, the directions of variation of bandgap energy values and calculated particle size, as well as SEM values of the doped samples due to pressure variation were found to be the same i.e. all of them together either increase or decrease as pressure varies. However, these variations were found to be opposite to that of lattice constants (all a and most c values) variation for both Mn dopant concentrations (3 at% and 9 at%). These physical variations of unpressurized doped samples can be attributed to the change in the polar bonding of the elemental constitutions in the lattice. While for the pressurized doped samples, the variations attributed to repulsion of lone pairs as well as change in the electronegativity of the system.
Vettegren, V. I.; Ponomarev, A. V.; Sobolev, G. A.; Shcherbakov, I. P.; Mamalimov, R. I.; Kulik, V. B.; Patonin, A. V.
2017-03-01
The structure of a 30 nm thick surface layer of a heterogeneous nanocrystalline solid body (sandstone) before and after the friction was investigated using photoluminescence and Raman spectroscopy. Before the friction, this layer contained nanocrystals of quartz, anatase, feldspar, and montmorillonite. The friction caused a sharp decrease in the concentration of nanocrystals of quartz and feldspar.
A Mixture Innovation Heterogeneous Autoregressive Model for Structural Breaks and Long Memory
DEFF Research Database (Denmark)
Nonejad, Nima
We propose a flexible model to describe nonlinearities and long-range dependence in time series dynamics. Our model is an extension of the heterogeneous autoregressive model. Structural breaks occur through mixture distributions in state innovations of linear Gaussian state space models. Monte Ca...
Huang, H.; Meng, D. Q.; Lai, X. C.; Liu, T. W.; Long, Y.; Hu, Q. M.
2014-08-01
The combined interatomic pair potentials of TiZrNi, including Morse and Inversion Gaussian, are successfully built by the lattice inversion method. Some experimental controversies on atomic occupancies of sites 6-8 in W-TiZrNi are analyzed and settled with these inverted potentials. According to the characteristics of composition and site preference occupancy of W-TiZrNi, two stable structural models of W-TiZrNi are proposed and the possibilities are partly confirmed by experimental data. The stabilities of W-TiZrNi mostly result from the contribution of Zr atoms to the phonon densities of states in lower frequencies.
Lehermeier, Christina; Schön, Chris-Carolin; de Los Campos, Gustavo
2015-09-01
Plant breeding populations exhibit varying levels of structure and admixture; these features are likely to induce heterogeneity of marker effects across subpopulations. Traditionally, structure has been dealt with as a potential confounder, and various methods exist to "correct" for population stratification. However, these methods induce a mean correction that does not account for heterogeneity of marker effects. The animal breeding literature offers a few recent studies that consider modeling genetic heterogeneity in multibreed data, using multivariate models. However, these methods have received little attention in plant breeding where population structure can have different forms. In this article we address the problem of analyzing data from heterogeneous plant breeding populations, using three approaches: (a) a model that ignores population structure [A-genome-based best linear unbiased prediction (A-GBLUP)], (b) a stratified (i.e., within-group) analysis (W-GBLUP), and (c) a multivariate approach that uses multigroup data and accounts for heterogeneity (MG-GBLUP). The performance of the three models was assessed on three different data sets: a diversity panel of rice (Oryza sativa), a maize (Zea mays L.) half-sib panel, and a wheat (Triticum aestivum L.) data set that originated from plant breeding programs. The estimated genomic correlations between subpopulations varied from null to moderate, depending on the genetic distance between subpopulations and traits. Our assessment of prediction accuracy features cases where ignoring population structure leads to a parsimonious more powerful model as well as others where the multivariate and stratified approaches have higher predictive power. In general, the multivariate approach appeared slightly more robust than either the A- or the W-GBLUP. Copyright © 2015 by the Genetics Society of America.
Energy Technology Data Exchange (ETDEWEB)
Das, Sumanta; Maroli, Amit; Singh, Sudhanshu S.; Stannard, Tyler; Xiao, Xianghui; Chawla, Nikhilesh; Neithalath, Narayanan
2016-06-01
This paper presents a microstructure-guided modeling approach to predict the effective elastic response of heterogeneous materials, and demonstrates its application toward two highly heterogeneous, uncon- ventional structural binders, i.e., iron carbonate and fly ash geopolymer. Microstructural information from synchrotron X-ray tomography (XRT) and intrinsic elastic properties of component solid phases from statistical nanoindentation are used as the primary inputs. The virtual periodic 3D microstructure reconstructed using XRT, along with periodic boundary conditions is used as a basis for strain- controlled numerical simulation scheme in the linear elastic range to predict the elastic modulus as well as the stresses in the microstructural phases. The elastic modulus of the composite material predicted from the microstructure-based constitutive modeling approach correlates very well with experimental measurements for both the materials considered. This technique efficiently links the microstructure to mechanical properties of interest and helps develop material design guidelines for novel heterogeneous composites
Kiselev, A. A.; Bachmann, F.; Pedevilla, P.; Cox, S.; Michaelides, A.
2014-12-01
Recently, we have conducted experiments on deposition nucleation and growth of ice on freshly cleaved natural K-feldspar (microcline) crystals exposed to water vapor in the Environmental Scanning Electron Microscope (ESEM, FEI Quanta 650 FEG). Independently adjusting the partial water vapor pressure in the sample chamber and the temperature of the substrate mounted on top of the double-stage Peltier element, deposition ice nucleation, growth, and sublimation can be studied within the temperature range from -5°C to -60°C. By using small crystal size and tilted geometry we have been able to record the video sequences of ice nucleation taking place on both 001 and 010 crystallographic planes simultaneously. Here, we report the following general features of ice nucleation and growth observed in these experiments: Nucleation of ice always starts before the water saturation is reached. Ice was preferentially nucleating on surface defects (steps, cracks, and pits) or on the debris particles scattered over the surface of feldspar crystal. Ice crystals grown via deposition at temperatures above -30°C on any of the feldspar crystal faces have shown the same directional and rotational orientation, with c-axis of ice aligned with the c-axis of microcline unit cell. Below -35°C no preferential orientation has been observed whatsoever. The majority of observed ice crystals exhibit the evaporation groove at the waist of hexagonal prism, indicting the presence of lattice dislocations in the crystal nucleation plane. We discuss a possible mechanism of crystal lattice alignment by considering layer of ordered water on the surface of feldspar crystal forming prior to ice nucleation. Using density functional theory we show how the mineral surface interacts with water, particularly addressing the interaction of surface cations and hydroxyl groups with a water overlayer. We argue that the misalignment of the 001 lattice planes for microcline and ice (inherently following from the
Dynamic behavior of the interface of striplike structures in driven lattice gases
Saracco, Gustavo P.; Albano, Ezequiel V.
2008-09-01
In this work, the dynamic behavior of the interfaces in both the standard and random driven lattice gas models (DLG and RDLG, respectively) is investigated via numerical Monte Carlo simulations in two dimensions. These models consider a lattice gas of density ρ=1/2 with nearest-neighbor attractive interactions between particles under the influence of an external driven field applied along one fixed direction in the case of the DLG model, and a randomly varying direction in the case of the RDLG model. The systems are also in contact with a reservoir at temperature T . Those systems undergo a second-order nonequilibrium phase transition between an ordered state characterized by high-density strips crossing the sample along the driving field, and a quasilattice gas disordered state. For T≲Tc , the average interface width of the strips (W) was measured as a function of the lattice size and the anisotropic shape factor. It was found that the saturation value Wsat2 only depends on the lattice size parallel to the external field axis Ly and exhibits two distinct regimes: Wsat2∝lnLy for low temperatures, that crosses over to Wsat2∝Ly2αI near the critical zone, αI=1/2 being the roughness exponent of the interface. By using the relationship αI=1/(1+ΔI) , the anisotropic exponent for the interface of the DLG model was estimated, giving ΔI≃1 , in agreement with the computed value for anisotropic bulk exponent ΔB in a recently proposed theoretical approach. At the crossover region between both regimes, we observed indications of bulk criticality. The time evolution of W at Tc was also monitored and shows two growing stages: first one observes that W∝lnt for several decades, and in the following times one has W∝tβI , where βI is the dynamic exponent of the interface width. By using this value we estimated the dynamic critical exponent of the correlation length in the perpendicular direction to the external field, giving z⊥I≈4 , which is consistent with
Phase structure of the O(n) model on a random lattice for n > 2
DEFF Research Database (Denmark)
Durhuus, B.; Kristjansen, C.
1997-01-01
We show that coarse graining arguments invented for the analysis of multi-spin systems on a randomly triangulated surface apply also to the O(n) model on a random lattice. These arguments imply that if the model has a critical point with diverging string susceptibility, then either γ = +1...... by (γ̃, γ) = (-1/m, 1/m+1), m = 2, 3, . . . We also show that at the critical points with positive string susceptibility exponent the average number of loops on the surface diverges while the average length of a single loop stays finite....
2014-11-26
Changes of Heterogeneous Catalysts Observed in Real Time: From Catalysis -Induced Fluxionality to Catalytic Cycles” (FA9550-12-1-0204) Robert M. Rioux...report The results from “Dynamic Chemical and Structural Changes of Heterogeneous Catalysts Observed in Real Time: From Catalysis -Induced...AFRL-OSR-VA-TR-2014-0321 Dynamic Chemical and Structural Changes of Heterogeneous Catalysts Robert Rioux PENNSYLVANIA STATE UNIVERSITY Final Report
Fermi Surface and Order Parameter Driven Vortex Lattice Structure Transitions in Twin-Free YBa2Cu3O7
DEFF Research Database (Denmark)
White, J.S.; Hinkov, V.; Heslop, R.W.
2009-01-01
fields. It is separated from a low-field hexagonal phase of different orientation and distortion by a first-order transition at 2.0(2) T that is probably driven by Fermi surface effects. We argue that another first-order transition at 6.7(2) T, into a rhombic structure with a distortion of opposite sign......We report on small-angle neutron scattering studies of the intrinsic vortex lattice (VL) structure in detwinned YBa2Cu3O7 at 2 K, and in fields up to 10.8 T. Because of the suppressed pinning to twin-domain boundaries, a new distorted hexagonal VL structure phase is stabilized at intermediate...
Kotliar, Natasha B.; Wiens, John A.
1990-01-01
We develop a hierarchical model of heterogeneity that provides a framework for classifying patch structure across a range of scales. Patches at lower levels in the hierarchy are more simplistic and correspond to the traditional view of patches. At levels approaching the upper bounds of the hierarchy the internal structure becomes more heterogeneous and boundaries more ambiguous. At each level in the hierarchy, patch structure will be influenced by both contrast among patches as well as the degree of aggregation of patches at lower levels in the hierarchy. We apply this model to foraging theory, but it has wider applications as in the study of habitat selection, population dynamics, and habitat fragmentation. It may also be useful in expanding the realm of landscape ecology beyond the current focus on anthropocentric scales.
Directory of Open Access Journals (Sweden)
Limei Tian
2015-11-01
Full Text Available Studies have shown that the structure of dolphin skin controls fluid media dynamically. Gaining inspiration from this phenomenon, a kind of bionic structural heterogeneous composite material was designed. The bionic structural heterogeneous composite material is composed of two materials: a rigid metal base layer with bionic structures and an elastic polymer surface layer with the corresponding mirror structures. The fluid control mechanism of the bionic structural heterogeneous composite material was investigated using a fluid–solid interaction method in ANSYS Workbench. The results indicated that the bionic structural heterogeneous composite material’s fluid control mechanism is its elastic deformation, which is caused by the coupling action between the elastic surface material and the bionic structure. This deformation can decrease the velocity gradient of the fluid boundary layer through changing the fluid–solid actual contact surface and reduce the frictional force. The bionic structural heterogeneous composite material can also absorb some energy through elastic deformation and avoid energy loss. The bionic structural heterogeneous composite material was applied to the impeller of a centrifugal pump in a contrast experiment, increasing the pump efficiency by 5% without changing the hydraulic model of the impeller. The development of this bionic structural heterogeneous composite material will be straightforward from an engineering point of view, and it will have valuable practical applications.
Maurer, Megan M; Donohoe, Gregory C; Valentine, Stephen J
2015-10-21
Over the last decade, the field of ion mobility-mass spectrometry (IM-MS) has experienced dramatic growth in its application toward ion structure characterization. Enabling advances in instrumentation during this time period include improved conformation resolution and ion sensitivity. Such advances have rendered IM-MS a powerful approach for characterizing samples presenting a diverse array of ion structures. The structural heterogeneity that can be interrogated by IM-MS techniques now ranges from samples containing mixtures of small molecules exhibiting a variety of structural types to those containing very large protein complexes and subcomplexes. In addition to this diversity, IM-MS techniques have been used to probe spontaneous and induced structural transformations occurring in solution or the gas phase. To support these measurement efforts, significant advances have been made in theoretical methods aimed at translating IM-MS data into structural information. These efforts have ranged from providing more reliable trial structures for comparison to the experimental measurements to dramatically reducing the time required to calculate collision cross sections for such structures. In this short review, recent advances in developments in IM-MS instrumentation, techniques, and theory are discussed with regard to their implications for characterization of gas- and solution-phase structural heterogeneity.
Do mantle plumes preserve the heterogeneous structure of their deep-mantle source?
Jones, T. D.; Davies, D. R.; Campbell, I. H.; Wilson, C. R.; Kramer, S. C.
2016-01-01
It has been proposed that the spatial variations recorded in the geochemistry of hotspot lavas, such as the bilateral asymmetry recorded at Hawaii, can be directly mapped as the heterogeneous structure and composition of their deep-mantle source. This would imply that source-region heterogeneities are transported into, and preserved within, a plume conduit, as the plume rises from the deep-mantle to Earth's surface. Previous laboratory and numerical studies, which neglect density and rheological variations between different chemical components, support this view. However, in this paper, we demonstrate that this interpretation cannot be extended to distinct chemical domains that differ from surrounding mantle in their density and viscosity. By numerically simulating thermo-chemical mantle plumes across a broad parameter space, in 2-D and 3-D, we identify two conduit structures: (i) bilaterally asymmetric conduits, which occur exclusively for cases where the chemical effect on buoyancy is negligible, in which the spatial distribution of deep-mantle heterogeneities is preserved during plume ascent; and (ii) concentric conduits, which occur for all other cases, with dense material preferentially sampled within the conduit's centre. In the latter regime, the spatial distribution of geochemical domains in the lowermost mantle is not preserved during plume ascent. Our results imply that the heterogeneous structure and composition of Earth's lowermost mantle can only be mapped from geochemical observations at Earth's surface if chemical heterogeneity is a passive component of lowermost mantle dynamics (i.e. its effect on density is outweighed by, or is secondary to, the effect of temperature). The implications of our results for: (i) why oceanic crust should be the prevalent component of ocean island basalts; and (ii) how we interpret the geochemical evolution of Earth's deep-mantle are also discussed.
Pion Structure in Qcd: from Theory to Lattice to Experimental Data
Bakulev, A. P.; Mikhailov, S. V.; Pimikov, A. V.; Stefanis, N. G.
We describe the present status of the pion distribution amplitude (DA) as it originates from several sources: (i) a nonperturbative approach based on QCD sum rules with nonlocal condensates, (ii) an O(as) QCD analysis of the CLEO data on Fgg*p(Q2) with asymptotic and renormalon models for higher twists and (iii) recent high-precision lattice QCD calculations of the second moment of the pion DA. We show predictions for the pion electromagnetic form factor, obtained in analytic QCD perturbation theory, and compare it with the JLab data on Fp(Q2). We also discuss in this context an improved model for nonlocal condensates in QCD and show its consequences for the pion DA and the gg*p transition form factor. We include a brief analysis of meson-induced massive lepton (muon) Drell-Yan production for the process p-Nm+m-X, considering both an unpolarized nucleon target and longitudinally polarized protons.
Normal linear models with genetically structured residual variance heterogeneity: a case study
DEFF Research Database (Denmark)
Sorensen, Daniel; Waagepetersen, Rasmus Plenge
2003-01-01
Normal mixed models with different levels of heterogeneity in the residual variance are fitted to pig litter size data. Exploratory analysis and model assessment is based on examination of various posterior predictive distributions. Comparisons based on Bayes factors and related criteria favour...... models with a genetically structured residual variance heterogeneity. There is, moreover, strong evidence of a negative correlation between the additive genetic values affecting litter size and those affecting residual variance. The models are also compared according to the purposes for which they might...... be used, such as prediction of 'future' data, inference about response to selection and ranking candidates for selection. A brief discussion is given of some implications for selection of the genetically structured residual variance model....
Electronic structure and magnetism in the layered triangular lattice compound CeAuAl4Ge2
Zhang, S.; Aryal, N.; Huang, K.; Chen, K.-W.; Lai, Y.; Graf, D.; Besara, T.; Siegrist, T.; Manousakis, E.; Baumbach, R. E.
2017-09-01
Results are reported for the f -electron intermetallic CeAuAl4Ge2 , where the atomic arrangement of the cerium ions creates the conditions for possible geometric frustration. The magnetic susceptibility follows a Curie-Weiss temperature dependence at elevated temperatures, revealing that the cerium ions are trivalent. At lower temperatures the crystal electric field splits the Hund's rule multiplet, resulting in a weak low-temperature magnetic exchange interaction and ordering near TM≈1.4 K . This occurs within a metallic Kondo lattice, where electrical resistivity and heat capacity measurements show that the Kondo-driven electronic correlations are negligible. Quantum oscillations are detected in ac-magnetic susceptibility measurements and uncover small charge carrier effective masses. Electronic structure calculations reveal that inclusion of an on-f -site Coulomb repulsion (Hubbard) U results in antiferromagnetic order and causes the f -electron bands to move away from the Fermi level, resulting in electronic behavior that is dominated by the s ,p , and d bands, which are all characterized by light electron masses. Thus, CeAuAl4Ge2 may provide a starting point for investigating geometric magnetic frustration in a cerium lattice without strong Kondo hybridization, where calculations provide useful guidance.
Ward, T. Zac; Herklotz, Andreas; Wong, Anthony; Bennett, Steven; Lauter, Valeria
Low energy helium ion implantation is an effective approach to strain doping materials which allows one to expand the out-of-plane lattice parameter in epitaxial films without vacancy generation or electron/hole doping the system. The ability to control crystal anisotropy and overcome Poisson's drive to conserve volume can thus offer huge dividends in controlling magnetic properties due to magnetostrictive phenomena. We present recent studies on epitaxial FeRh films which demonstrate how controlling crystal symmetry in this important intermetallic material can be used to finely control magnetic properties. We find that the first order magneto-structural phase transition from antiferromagnetic to ferromagnetic can be directly controlled through single axis lattice expansion; this effectively allows us to dictate the transition temperature anywhere between 400K and 150K. Polarized Neutron Reflectometry (PNR) data and scanning Magneto-optic Kerr effect (MOKE) measurements will be presented which demonstrate that this phase control can be confined to a specific region of the film both in depth and/or lateral position. While this holds great promise for magnetocaloric applications, many possibilities remain for devising new functionalities and gaining a deeper understanding of material properties using this technique.
Tammaro, Umberto; Riccardi, Umberto; Romano, Vittorio; Meo, Michele; Capuano, Paolo
2017-04-01
Through a 3D finite element code we simulate, the deformation of Somma-Vesuvius volcano caused by some overpressure sources. Under the assumption of linear elastic isotropic material behavior, the volcano deformation sources are located at various depths and their geometry (shape and lateral extension) is mainly constrained by the results of recent seismic tomography studies. These simulations have the objective to inquire about the influence of topography and structural heterogeneity on ground deformation. Structural heterogeneities have been modeled in terms of dynamical elastic parameters (Young's modulus) accounting for previous seismic tomography and gravity studies. Topography of Somma-Vesuvius is taken into account, using a digital terrain model. The main outcomes of this study is a strong deviation from axially symmetric pattern of the displacement field, which is quietly unaccounted by simplistic Mogi modeling in homogeneous medium with simplified topography. These results demonstrate that real topography and structural heterogeneities are key factors controlling the pattern of ground deformations, i.e. one of the most relevant problem in volcano monitoring. Moreover, an improved knowledge of deformation patterns can significantly help in the location of monitoring sensors as well as in the design of an efficient geodetic network.
Directory of Open Access Journals (Sweden)
Chengyin Liu
2016-11-01
Full Text Available Heterogeneous wireless sensor networks (HWSNs are widely adopted in structural health monitoring systems due to their potential for implementing sophisticated algorithms by integrating a diverse set of devices and improving a network’s sensing performance. However, deploying such a HWSN is still in a challenge due to the heterogeneous nature of the data and the energy constraints of the network. To respond to these challenges, an optimal deployment framework in terms of both modal information quality and energy consumption is proposed in this study. This framework generates a multi-objective function aimed at maximizing the quality of the modal information identified from heterogeneous data while minimizing the consumption of energy within the network at the same time. Particle swarm optimization algorithm is then implemented to seek solutions to the function effectively. After laying out the proposed sensor-optimization framework, a methodology is present to determine the clustering of the sensors to further conserve energy. Finally, a numerical verification is performed on a four-span pre-stressed reinforced concrete box-girder bridge. Results show that a set of strategically positioned heterogeneous sensors can maintain a balanced trade-off between the modal information accuracy and energy consumption. It is also observed that an appropriate cluster-tree network topology can further achieve energy saving in HWSNs.
Liu, Chengyin; Jiang, Zhaoshuo; Wang, Fei; Chen, Hui
2016-11-06
Heterogeneous wireless sensor networks (HWSNs) are widely adopted in structural health monitoring systems due to their potential for implementing sophisticated algorithms by integrating a diverse set of devices and improving a network's sensing performance. However, deploying such a HWSN is still in a challenge due to the heterogeneous nature of the data and the energy constraints of the network. To respond to these challenges, an optimal deployment framework in terms of both modal information quality and energy consumption is proposed in this study. This framework generates a multi-objective function aimed at maximizing the quality of the modal information identified from heterogeneous data while minimizing the consumption of energy within the network at the same time. Particle swarm optimization algorithm is then implemented to seek solutions to the function effectively. After laying out the proposed sensor-optimization framework, a methodology is present to determine the clustering of the sensors to further conserve energy. Finally, a numerical verification is performed on a four-span pre-stressed reinforced concrete box-girder bridge. Results show that a set of strategically positioned heterogeneous sensors can maintain a balanced trade-off between the modal information accuracy and energy consumption. It is also observed that an appropriate cluster-tree network topology can further achieve energy saving in HWSNs.
Directory of Open Access Journals (Sweden)
Zbisław Tabor
2011-05-01
Full Text Available In the study an algorithm based on a lattice gas model is proposed as a tool for enhancing quality of lowresolution images of binary structures. Analyzed low-resolution gray-level images are replaced with binary images, in which pixel size is decreased. The intensity in the pixels of these new images is determined by corresponding gray-level intensities in the original low-resolution images. Then the white phase pixels in the binary images are assumed to be particles interacting with one another, interacting with properly defined external field and allowed to diffuse. The evolution is driven towards a state with maximal energy by Metropolis algorithm. This state is used to estimate the imaged object. The performance of the proposed algorithm and local and global thresholding methods are compared.
Yumak, A.; Boubaker, K.; Petkova, P.; Yahsi, U.
2015-10-01
In is known that short-chain chlorinated paraffins (SCCPs) are highly complex technical mixtures of polychlorinated n-alkanes with single chlorine content. Due to their physical properties (viscosity, flame resistance) they are used in many different applications, such as lubricant additives, metal processing, leather fat-liquoring, plastics softening, PVC plasticizing and flame retardants in paints, adhesives and sealants. SCCPs are studied here in terms of processing-linked molecular structure stability, under Simha and Somcynsky-EOS theory calculations and elements from Simha-Somcynsky-related Lattice Compatibility Theory. Analyses were carried out on 1-chloropropane, 2-chloropropane, 1-chlorobutane, 2-chlorobutane, 1-chloro 2-methylane, and 2-chloro 2-methylane as (SCCPs) universal representatives. This paper gives evidence to this stability and reviews the current state of knowledge and highlights the need for further research in order to improve future (SCCPs) monitoring efforts.
Visual analysis of large heterogeneous social networks by semantic and structural abstraction.
Shen, Zeqian; Ma, Kwan-Liu; Eliassi-Rad, Tina
2006-01-01
Social network analysis is an active area of study beyond sociology. It uncovers the invisible relationships between actors in a network and provides understanding of social processes and behaviors. It has become an important technique in a variety of application areas such as the Web, organizational studies, and homeland security. This paper presents a visual analytics tool, OntoVis, for understanding large, heterogeneous social networks, in which nodes and links could represent different concepts and relations, respectively. These concepts and relations are related through an ontology (also known as a schema). OntoVis is named such because it uses information in the ontology associated with a social network to semantically prune a large, heterogeneous network. In addition to semantic abstraction, OntoVis also allows users to do structural abstraction and importance filtering to make large networks manageable and to facilitate analytic reasoning. All these unique capabilities of OntoVis are illustrated with several case studies.
Electronic structure and lattice dynamics of rhombohedral BiAlO{sub 3} from first-principles
Energy Technology Data Exchange (ETDEWEB)
Kaczkowski, J., E-mail: kaczkowski@ifmpan.poznan.pl
2016-07-01
The structural, elastic, electronic, dynamical (zone-center phonon modes and Born effective charge tensors), and ferroelectric properties of the rhombohedral BiAlO{sub 3} were calculated within various exchange-correlation functionals. The standard local-density (LDA) and generalized gradient (GGA) approximations, and nonlocal hybrid Heyd-Scuseria-Ernzerhof (HSE) were used. We have also performed the electronic structure calculations with meta-GGA Tran-Blaha functional. BiAlO{sub 3} is indirect band gap semiconductor with the value of band gap: 2.87 eV (GGA), 4.14 eV (HSE), and 3.78 eV (TB-mBJ). The calculated spontaneous polarization is 81 μC/cm{sup 2} (87 μC/cm{sup 2}) for GGA (HSE). The vibrational spectrum including LO-TO splitting was calculated within GGA. The zone-center phonon modes with LO-TO splitting for BiAlO{sub 3} were compared with those in isostructural BiFeO{sub 3}. - Highlights: • Electronic structure of the rhombohedral phase of BiAlO{sub 3} were calculated. • Structural, elastic, dynamical, and ferroelectric properties were investigated. • Calculations were done within GGA, hybrid HSE, and TB-mBJ functionals. • The lattice dynamics with LO-TO splitting were investigated within GGA functional.
Structural and Dynamic Heterogeneity of Capillary Wave Fronts at Aqueous Interfaces.
Zhou, Tiecheng; McCue, Alex; Ghadar, Yasaman; Bakó, Imre; Clark, Aurora E
2017-09-28
Using a unique combination of slab-layering analyses and identification of truly interfacial molecules, this work examines water/vapor and water/n-hexane interfaces, specifically the structural and dynamic perturbations of the interfacial water molecules at different locations within the surface capillary waves. From both the structural and dynamic properties analyzed, it is found that these interfacial water molecules dominate the perturbations within the interfacial region, which can extend deep into the water phase relative to the Gibbs dividing surface. Of more importance is the demonstration of structural and dynamic heterogeneity of the interfacial water molecules at the capillary wave front, as indicated by the dipole orientation and the structural and dynamic behavior of hydrogen bonds and their networks.
Atomic-scale structural signature of dynamic heterogeneities in metallic liquids
Pasturel, Alain; Jakse, Noel
2017-08-01
With sufficiently high cooling rates, liquids will cross their equilibrium melting temperatures and can be maintained in a metastable undercooled state before solidifying. Studies of undercooled liquids reveal several intriguing dynamic phenomena and because explicit connections between liquid structure and liquids dynamics are difficult to identify, it remains a major challenge to capture the underlying structural link to these phenomena. Ab initio molecular dynamics (AIMD) simulations are yet especially powerful in providing atomic-scale details otherwise not accessible in experiments. Through the AIMD-based study of Cr additions in Al-based liquids, we evidence for the first time a close relationship between the decoupling of component diffusion and the emergence of dynamic heterogeneities in the undercooling regime. In addition, we demonstrate that the origin of both phenomena is related to a structural heterogeneity caused by a strong interplay between chemical short-range order (CSRO) and local fivefold topology (ISRO) at the short-range scale in the liquid phase that develops into an icosahedral-based medium-range order (IMRO) upon undercooling. Finally, our findings reveal that this structural signature is also captured in the temperature dependence of partial pair-distribution functions which opens up the route to more elaborated experimental studies.
Directory of Open Access Journals (Sweden)
Willemien Anaf
2010-11-01
Full Text Available Le verre, corrodé dans des conditions naturelles, montre souvent des hétérogénéités dans la couche lixiviée, comme une structure lamellaire ou des inclusions de MnO2 ou Ca3(PO42. La formation de ces hétérogénéités n’est pas encore bien comprise. Des structures de ce type ont été produites artificiellement en laboratoire en immergeant des échantillons de verre dans des solutions riches en métaux. Les résultats expérimentaux ont été comparés avec des théories décrivant la corrosion du verre.Glass that corrodes under natural conditions often shows heterogeneities in the leached layer, such as a lamellar structure or inclusions of MnO2 or Ca3(PO42. The formation of these heterogeneities is still not well understood. By means of experiments under laboratory conditions, our aim was to artificially generate specific structures. Therefore, glass samples were immersed in metal-rich solutions. The experimental results were compared with theories describing glass corrosion from a molecular point of view.
Spatial P heterogeneity in forest soil: Influence on microbial P uptake and community structure
Zilla, Thomas; Angulo-Schipper, Bridith; Méndez, Juan Carlos; Dippold, Michaela A.; Kuzyakov, Yakov; Spielvogel, Sandra
2017-04-01
Other than nitrogen, phosphorus (P) is the most important growth limiting nutrient in soils. Yet, little information is available concerning the spatial heterogeneity of P content in forest soils. More so, the effects of a homogeneous vs. heterogeneous soil P distribution on microbial P acquisition and community structure have yet to be determined. Thus, a rhizotron experiment based on a P-deficient forest soil was conducted to investigate competitive P uptake strategies of microbes. F. sylvatica-bearing rhizotrons were labeled with Fe33PO4, a relatively immobile P source native to the study soil. Homogeneous and heterogeneous P patterns were created to study the effects of spatial P heterogeneity on plant and microbial P acquisition. P mobilization by microorganisms was tracked by an improved 33P-PLFA method, linking 33P incorporation in microbes with changes in microbial community structure in soils in situ. The microbial P uptake was enhanced in rhizotrons with high P availability and in those with a patchy P distribution. Characteristic PLFAs indicate a congregation of beech-associated ectomycorrhizal fungi in P-rich patches. These ectomycorrhizal fungi are likely to strongly increase P mobilization from the used Fe33PO4 in high P habitats. In contrast, habitats with low P availability require a more complex microbial community structure without a dominant group to mobilize this inaccessible P source. Therefore, hotspots of P are likely to promote the efforts of fungal hyphae for P mobilization - an effect which decreases with lower P content. Additionally, gram positive and negative bacteria exhibit a vastly higher P uptake under increasingly patchy P distributions. However, they form a smaller portion of the microbial community than in homogeneously P enriched rhizotrons, suggesting that filamentous organisms benefit from the patchy P distribution. Thus, only a heterogeneous P distribution promotes P acquisition of forest microbial communities from mineral P
Operational Vibration-Based Response Estimation for Offshore Wind Lattice Structures
Van der Male, P.; Lourens, E.
2015-01-01
The design for fatigue for offshore wind turbine structures is characterized by uncertainty, resulting from both loading specifications and numerical modelling. At the same time, fatigue is a main design driver for this type of structures. This study presents a strategy to monitor the accumulated
Thomas, Geethu E; Bandopadhyay, K; Sutradhar, Sabyasachi; Renjith, M R; Singh, Puja; Gireesh, K K; Simon, Steny; Badarudeen, Binshad; Gupta, Hindol; Banerjee, Manidipa; Paul, Raja; Mitra, J; Manna, Tapas K
2016-05-26
Kinetochore couples chromosome movement to dynamic microtubules, a process that is fundamental to mitosis in all eukaryotes but poorly understood. In vertebrates, spindle-kinetochore-associated (Ska1-3) protein complex plays an important role in this process. However, the proteins that stabilize Ska-mediated kinetochore-microtubule attachment remain unknown. Here we show that microtubule plus-end tracking protein EB1 facilitates Ska localization on microtubules in vertebrate cells. EB1 depletion results in a significant reduction of Ska1 recruitment onto microtubules and defects in mitotic chromosome alignment, which is also reflected in computational modelling. Biochemical experiments reveal that EB1 interacts with Ska1, facilitates Ska1-microtubule attachment and together stabilizes microtubules. Structural studies reveal that EB1 either with Ska1 or Ska complex forms extended structures on microtubule lattice. Results indicate that EB1 promotes Ska association with K-fibres and facilitates kinetochore-microtubule attachment. They also implicate that in vertebrates, chromosome coupling to dynamic microtubules could be mediated through EB1-Ska extended structures.
Patterned biofilm formation reveals a mechanism for structural heterogeneity in bacterial biofilms.
Gu, Huan; Hou, Shuyu; Yongyat, Chanokpon; De Tore, Suzanne; Ren, Dacheng
2013-09-03
Bacterial biofilms are ubiquitous and are the major cause of chronic infections in humans and persistent biofouling in industry. Despite the significance of bacterial biofilms, the mechanism of biofilm formation and associated drug tolerance is still not fully understood. A major challenge in biofilm research is the intrinsic heterogeneity in the biofilm structure, which leads to temporal and spatial variation in cell density and gene expression. To understand and control such structural heterogeneity, surfaces with patterned functional alkanthiols were used in this study to obtain Escherichia coli cell clusters with systematically varied cluster size and distance between clusters. The results from quantitative imaging analysis revealed an interesting phenomenon in which multicellular connections can be formed between cell clusters depending on the size of interacting clusters and the distance between them. In addition, significant differences in patterned biofilm formation were observed between wild-type E. coli RP437 and some of its isogenic mutants, indicating that certain cellular and genetic factors are involved in interactions among cell clusters. In particular, autoinducer-2-mediated quorum sensing was found to be important. Collectively, these results provide missing information that links cell-to-cell signaling and interaction among cell clusters to the structural organization of bacterial biofilms.
A Scalable Data Access Layer to Manage Structured Heterogeneous Biomedical Data.
Directory of Open Access Journals (Sweden)
Giovanni Delussu
Full Text Available This work presents a scalable data access layer, called PyEHR, designed to support the implementation of data management systems for secondary use of structured heterogeneous biomedical and clinical data. PyEHR adopts the openEHR's formalisms to guarantee the decoupling of data descriptions from implementation details and exploits structure indexing to accelerate searches. Data persistence is guaranteed by a driver layer with a common driver interface. Interfaces for two NoSQL Database Management Systems are already implemented: MongoDB and Elasticsearch. We evaluated the scalability of PyEHR experimentally through two types of tests, called "Constant Load" and "Constant Number of Records", with queries of increasing complexity on synthetic datasets of ten million records each, containing very complex openEHR archetype structures, distributed on up to ten computing nodes.
Structural and dynamic heterogeneity of interfacial water on chemically modified polymer surfaces
Bekele, Selemon; Tsige, Mesfin
Using molecular dynamics (MD) simulations, we investigate the structural and dynamical properties of water molecules in a slab of water in contact with atactic polystyrene surfaces of varying polarity. We find that the dynamics of water molecules in the interfacial region slows down with increasing polarity of the polystyrene surface. In addition, the interfacial water molecules exhibit structural and dynamic heterogeneity with respect to diffusion, hydrogen bond distribution and relaxation of the hydrogen bond network. The results obtained enhance our understanding of water structure and dynamics at the polymer/water interface with important implications for such desired functional properties as lubrication, adhesion and friction. Interfacial properties of water at hydrophobic and hydrophilic SAM (Self Assembled Monolayers) surfaces will also be presented for comparison. This work was supported by NSF Grant DMR1410290.
A Scalable Data Access Layer to Manage Structured Heterogeneous Biomedical Data.
Delussu, Giovanni; Lianas, Luca; Frexia, Francesca; Zanetti, Gianluigi
2016-01-01
This work presents a scalable data access layer, called PyEHR, designed to support the implementation of data management systems for secondary use of structured heterogeneous biomedical and clinical data. PyEHR adopts the openEHR's formalisms to guarantee the decoupling of data descriptions from implementation details and exploits structure indexing to accelerate searches. Data persistence is guaranteed by a driver layer with a common driver interface. Interfaces for two NoSQL Database Management Systems are already implemented: MongoDB and Elasticsearch. We evaluated the scalability of PyEHR experimentally through two types of tests, called "Constant Load" and "Constant Number of Records", with queries of increasing complexity on synthetic datasets of ten million records each, containing very complex openEHR archetype structures, distributed on up to ten computing nodes.
Nanometer-Scale Heterogeneities of the Structure of Zirconium-Based Bulk Metallic Glasses
Directory of Open Access Journals (Sweden)
Igor M. Mikhailovskij
2012-11-01
Full Text Available Structure of amorphous alloys ZrTiCuNiBe and ZrTiCuNiAl is studied by means of low-field ion and combined field-emission microscopy. In both alloys the structural heterogeneities of nanometer-scale are clearly revealed. The surface layers formed by field evaporation possess a cellular structure. The cells have polygonal shape with transverse size ranging from 2 nm to 20 nm. It is established that variance of the local energy of field evaporation is of 0%–5% in the cell body. A local minimum of the field evaporation energy is observed within the cell boundaries (intercluster boundaries. In the minimum the depth is measured to be of 0.8 eV.
Shear-Induced Heterogeneity in Associating Polymer Gels: Role of Network Structure and Dilatancy
Omar, Ahmad K.; Wang, Zhen-Gang
2017-09-01
We study associating polymer gels under steady shear using Brownian dynamics simulation to explore the interplay between the network structure, dynamics, and rheology. For a wide range of flow rates, we observe the formation of shear bands with a pronounced difference in shear rate, concentration, and structure. A striking increase in the polymer pressure in the gradient direction with shear, along with the inherently large compressibility of the gels, is shown to be a crucial factor in destabilizing homogeneous flow through shear-gradient concentration coupling. We find that shear has only a modest influence on the degree of association, but induces marked spatial heterogeneity in the network connectivity. We attribute the increase in the polymer pressure (and polymer mobility) to this structural reorganization.
A Scalable Data Access Layer to Manage Structured Heterogeneous Biomedical Data
Lianas, Luca; Frexia, Francesca; Zanetti, Gianluigi
2016-01-01
This work presents a scalable data access layer, called PyEHR, designed to support the implementation of data management systems for secondary use of structured heterogeneous biomedical and clinical data. PyEHR adopts the openEHR’s formalisms to guarantee the decoupling of data descriptions from implementation details and exploits structure indexing to accelerate searches. Data persistence is guaranteed by a driver layer with a common driver interface. Interfaces for two NoSQL Database Management Systems are already implemented: MongoDB and Elasticsearch. We evaluated the scalability of PyEHR experimentally through two types of tests, called “Constant Load” and “Constant Number of Records”, with queries of increasing complexity on synthetic datasets of ten million records each, containing very complex openEHR archetype structures, distributed on up to ten computing nodes. PMID:27936191
Srzic, Veljko; Cvetkovic, Vladimir; Andricevic, Roko; Gotovac, Hrvoje
2013-06-01
In this paper, we study the influence of high log-conductivity variance (σY2) and local-scale dispersion on the first two concentration moments as well as on higher-order moments, skewness, and kurtosis, in a 2-D heterogeneous aquifer. Three different heterogeneity structures are considered, defined with one and the same global isotropic Gaussian variogram. The three structures differ in terms of spatial connectivity patterns at extreme log-conductivity values. Our numerical approach to simulate contaminant transport through heterogeneous porous media is based on the Lagrangian framework with a reverse tracking formulation. Advection and local-scale dispersion are two competing and controlling mechanisms, with a relative ratio defined by the Peclet number (Pe); hydraulic log-conductivity variance σY2 in the simulations is assumed to be one or eight. The term local-scale dispersion is used as a combined effect of molecular diffusion and mechanical dispersion. Uncertainty of the concentration field is quantified by the second-order moment, or the coefficient of variation (CVC) as a function of the sampling position along a centerline, Peclet number, and σY2, as well as by higher-order moments, i.e., skewness and kurtosis. The parameter σY2 shows a strong influence on the concentration statistics, while the three different structures have a minor impact in the case of low heterogeneity. The results also indicate that for σY2=8, the influence of local-scale dispersion is significant after five integral scales (IY) from the source for the connected (CN) field, while in case of a disconnected field, the local-scale dispersion effect is observed after 20IY from the source. In the case of unit σY2, local-scale dispersion acts very slowly affecting concentration uncertainty at distances higher than 20IY from the source. Our inspection of Monte Carlo concentration skewness and kurtosis with the ones obtained from the Beta distribution show the discrepancies for high
Analysis of a genetically structured variance heterogeneity model using the Box-Cox transformation
DEFF Research Database (Denmark)
Yang, Ye; Christensen, Ole Fredslund; Sorensen, Daniel
2011-01-01
of the marginal distribution of the data. To investigate how the scale of measurement affects inferences, the genetically structured heterogeneous variance model is extended to accommodate the family of Box–Cox transformations. Litter size data in rabbits and pigs that had previously been analysed...... in the untransformed scale were reanalysed in a scale equal to the mode of the marginal posterior distribution of the Box–Cox parameter. In the rabbit data, the statistical evidence for a genetic component at the level of the environmental variance is considerably weaker than that resulting from an analysis...
Mixing Energy Models in Genetic Algorithms for On-Lattice Protein Structure Prediction
Directory of Open Access Journals (Sweden)
Mahmood A. Rashid
2013-01-01
Full Text Available Protein structure prediction (PSP is computationally a very challenging problem. The challenge largely comes from the fact that the energy function that needs to be minimised in order to obtain the native structure of a given protein is not clearly known. A high resolution 20×20 energy model could better capture the behaviour of the actual energy function than a low resolution energy model such as hydrophobic polar. However, the fine grained details of the high resolution interaction energy matrix are often not very informative for guiding the search. In contrast, a low resolution energy model could effectively bias the search towards certain promising directions. In this paper, we develop a genetic algorithm that mainly uses a high resolution energy model for protein structure evaluation but uses a low resolution HP energy model in focussing the search towards exploring structures that have hydrophobic cores. We experimentally show that this mixing of energy models leads to significant lower energy structures compared to the state-of-the-art results.
Khodabandeloo, Babak; Melvin, Dyan; Jo, Hongki
2017-11-17
Direct measurements of external forces acting on a structure are infeasible in many cases. The Augmented Kalman Filter (AKF) has several attractive features that can be utilized to solve the inverse problem of identifying applied forces, as it requires the dynamic model and the measured responses of structure at only a few locations. But, the AKF intrinsically suffers from numerical instabilities when accelerations, which are the most common response measurements in structural dynamics, are the only measured responses. Although displacement measurements can be used to overcome the instability issue, the absolute displacement measurements are challenging and expensive for full-scale dynamic structures. In this paper, a reliable model-based data fusion approach to reconstruct dynamic forces applied to structures using heterogeneous structural measurements (i.e., strains and accelerations) in combination with AKF is investigated. The way of incorporating multi-sensor measurements in the AKF is formulated. Then the formulation is implemented and validated through numerical examples considering possible uncertainties in numerical modeling and sensor measurement. A planar truss example was chosen to clearly explain the formulation, while the method and formulation are applicable to other structures as well.
Hosotani mechanism on the lattice
Cossu, G.; Itou, E.; Hatanaka, H.; Hosotani, Y.; Noaki, J.
We explore the phase structure and symmetry breaking in four-dimensional SU(3) gauge theory with one spatial compact dimension on the lattice in the presence of fermions in the adjoint and fundamental representations with general boundary conditions. The eigenvalue phases of Polyakov loops and the associated susceptibility are measured on 16^3 x 4 lattice. We establish a correspondence between the phases found on the lattice and the gauge symmetry breaking by the Hosotani mechanism.
The Importance of Large-Diameter Trees to Forest Structural Heterogeneity
Lutz, James A.; Larson, Andrew J.; Freund, James A.; Swanson, Mark E.; Bible, Kenneth J.
2013-01-01
Large-diameter trees dominate the structure, dynamics and function of many temperate and tropical forests. However, their attendant contributions to forest heterogeneity are rarely addressed. We established the Wind River Forest Dynamics Plot, a 25.6 ha permanent plot within which we tagged and mapped all 30,973 woody stems ≥1 cm dbh, all 1,966 snags ≥10 cm dbh, and all shrub patches ≥2 m2. Basal area of the 26 woody species was 62.18 m2/ha, of which 61.60 m2/ha was trees and 0.58 m2/ha was tall shrubs. Large-diameter trees (≥100 cm dbh) comprised 1.5% of stems, 31.8% of basal area, and 17.6% of the heterogeneity of basal area, with basal area dominated by Tsuga heterophylla and Pseudotsuga menziesii. Small-diameter subpopulations of Pseudotsuga menziesii, Tsuga heterophylla and Thuja plicata, as well as all tree species combined, exhibited significant aggregation relative to the null model of complete spatial randomness (CSR) up to 9 m (P≤0.001). Patterns of large-diameter trees were either not different from CSR (Tsuga heterophylla), or exhibited slight aggregation (Pseudotsuga menziesii and Thuja plicata). Significant spatial repulsion between large-diameter and small-diameter Tsuga heterophylla suggests that large-diameter Tsuga heterophylla function as organizers of tree demography over decadal timescales through competitive interactions. Comparison among two forest dynamics plots suggests that forest structural diversity responds to intermediate-scale environmental heterogeneity and disturbances, similar to hypotheses about patterns of species richness, and richness- ecosystem function. Large mapped plots with detailed within-plot environmental spatial covariates will be required to test these hypotheses. PMID:24376579
Kim, Youngmin; Jun, Sungwoo; Ju, Byeong-Kwon; Kim, Jong-Woong
2017-03-01
One of the most important aspects that we need to consider in the design of intrinsically stretchable electrodes is that most electronic devices that can be formed on them are not stretchable themselves. This discrepancy can induce severe stress singularities at the interfaces between stiff devices and stretchable electrodes, leading to catastrophic device delamination when the substrate is stretched. Here, we suggest a novel solution to this challenge which involves introducing a photolithography-based rigid-island approach to fabricate the heterogeneous configuration of a silver nanowire (AgNW)/polymer composite structure. For this, we designed two new transparent polymers: a photopatternable polymer that is rigid yet flexible, and a stretchable polymer, both of which have identical acrylate functional groups. Patterning of the rigid polymer and subsequent overcoating of the soft polymer formed rigid island disks embedded in the soft polymer, resulting in a selectively stretchable transparent film. Strong covalent bonds instead of weak physical interactions between the polymers strengthened the cohesive force at the interface of the rigid/soft polymers. Inverted-layer processing with a percolated AgNW network was used to form a heterogeneous AgNW/polymer composite structure that can be used as a selectively stretchable transparent electrode. An optimized structural configuration prevented the resistance of the rigid electrode from varying up to a lateral strain of 70%. A repeated stretch/release test with 60% strain for 5000 cycles did not cause any severe damage to the structure, revealing that the fabricated structure was mechanically stable and reliable.
Ozer, Ekin; Feng, Maria Q.
2017-04-01
Mobile, heterogeneous, and smart sensor networks produce pervasive structural health monitoring (SHM) information. With various embedded sensors, smartphones have emerged to innovate SHM by empowering citizens to serve as sensors. By default, smartphones meet the fundamental smart sensor criteria, thanks to the built-in processor, memory, wireless communication units and mobile operating system. SHM using smartphones, however, faces technical challenges due to citizen-induced uncertainties, undesired sensor-structure integration, and lack of control over the sensing platform. Previously, the authors presented successful applications of smartphone accelerometers for structural vibration measurement and proposed a monitoring framework under citizen-induced spatiotemporal uncertainties. This study aims at extending the capabilities of smartphone-based SHM with a special focus on the lack of control over the sensor (i.e., the phone) positioning by citizens resulting in unknown sensor orientations. Using smartphone gyroscope, accelerometer, and magnetometer; instantaneous sensor orientation can be obtained with respect to gravitational and magnetic north directions. Using these sensor data, mobile operating system frameworks return processed features such as attitude and heading that can be used to correct misaligned sensor signals. For this purpose, a coordinate transformation procedure is proposed and illustrated on a two-story laboratory structural model and real-scale bridges with various sensor positioning examples. The proposed method corrects the sensor signals by tracking their orientations and improves measurement accuracy. Moreover, knowing structure’s coordinate system a priori, even the data from arbitrarily positioned sensors can automatically be transformed to the structural coordinates. In addition, this paper also touches some secondary mobile and heterogeneous data issues including imperfect sampling and geolocation services. The coordinate system
Risteiu, M.; Dobra, R.; Andras, I.; Roventa, M.; Lorincz, A.
2017-06-01
The paper shows the results of a lab model for strain gauges based measuring system for multiple measuring heads of the mechanical stress in lattice structures of the bucket wheel excavator for open pit mines-harsh environment. The system is designed around a microcontroller system. Because of specific working conditions, the measuring system sends data to a processing system (a PC with Matlab software), we have implemented a secure communication solution based on ISM standard, by using NRF24L01 module. The transceiver contains a fully integrated frequency synthesizer based on crystal oscillator, and a Enhanced ShockBurst™ protocol engine. The proposed solution has a current consumption around 9.0 mA at an output power of -6dBm and 12.3mA in RX mode. Built-in Power Down and Standby modes makes power saving easily realizable for our solution battery powered. The stress from structures is taken by specific strain gauges adapted to low frequency vibrations. We are using a precision 24-bit analog-to-digital converter (ADC) designed for weigh scales and industrial control applications to interface directly with a bridge sensor-instrumentation device, with low drift voltage, low noise, common mode rejection signal, frequency and temperature stability. As backup implementation for measurements a high speed storage implementation is used.
JOSHUA system. Volume 4. Lattice physics
Energy Technology Data Exchange (ETDEWEB)
1970-06-01
Lattice physics subsystems of the JOSHUA system are described. Information is included on data management, geometry modules, nuclear data modules, and integral transport modules. The JOSHUA system is a set of computer codes for the design of heterogeneous reactors.
Page 1 Average lattices and aperiodic structures 789 Equation (2) is ...
Indian Academy of Sciences (India)
The diffraction pattern from modulated structures arise out of two factors. The first factor is associated with the amplitude of modulation of the scatterers from a mean position. The second factor is the wavelength modulating wave. The strong periodic reflections occur owing to the amplitude of modulation. The weak inner ...
Analysis of a genetically structured variance heterogeneity model using the Box-Cox transformation.
Yang, Ye; Christensen, Ole F; Sorensen, Daniel
2011-02-01
Over recent years, statistical support for the presence of genetic factors operating at the level of the environmental variance has come from fitting a genetically structured heterogeneous variance model to field or experimental data in various species. Misleading results may arise due to skewness of the marginal distribution of the data. To investigate how the scale of measurement affects inferences, the genetically structured heterogeneous variance model is extended to accommodate the family of Box-Cox transformations. Litter size data in rabbits and pigs that had previously been analysed in the untransformed scale were reanalysed in a scale equal to the mode of the marginal posterior distribution of the Box-Cox parameter. In the rabbit data, the statistical evidence for a genetic component at the level of the environmental variance is considerably weaker than that resulting from an analysis in the original metric. In the pig data, the statistical evidence is stronger, but the coefficient of correlation between additive genetic effects affecting mean and variance changes sign, compared to the results in the untransformed scale. The study confirms that inferences on variances can be strongly affected by the presence of asymmetry in the distribution of data. We recommend that to avoid one important source of spurious inferences, future work seeking support for a genetic component acting on environmental variation using a parametric approach based on normality assumptions confirms that these are met.
Directory of Open Access Journals (Sweden)
Martina Temunović
Full Text Available Tree species with wide distributions often exhibit different levels of genetic structuring correlated to their environment. However, understanding how environmental heterogeneity influences genetic variation is difficult because the effects of gene flow, drift and selection are confounded. We investigated the genetic variation and its ecological correlates in a wind-pollinated Mediterranean tree species, Fraxinus angustifolia Vahl, within a recognised glacial refugium in Croatia. We sampled 11 populations from environmentally divergent habitats within the Continental and Mediterranean biogeographical regions. We combined genetic data analyses based on nuclear microsatellite loci, multivariate statistics on environmental data and ecological niche modelling (ENM. We identified a geographic structure with a high genetic diversity and low differentiation in the Continental region, which contrasted with the significantly lower genetic diversity and higher population divergence in the Mediterranean region. The positive and significant correlation between environmental and genetic distances after controlling for geographic distance suggests an important influence of ecological divergence of the sites in shaping genetic variation. The ENM provided support for niche differentiation between the populations from the Continental and Mediterranean regions, suggesting that contemporary populations may represent two divergent ecotypes. Ecotype differentiation was also supported by multivariate environmental and genetic distance analyses. Our results suggest that despite extensive gene flow in continental areas, long-term stability of heterogeneous environments have likely promoted genetic divergence of ashes in this region and can explain the present-day genetic variation patterns of these ancient populations.
Interplay of structural instability and lattice dynamics in Ni{sub 2}MnAl shape memory alloys
Energy Technology Data Exchange (ETDEWEB)
Mehaddene, T.
2007-02-12
The work presented here is devoted to investigate the interplay of lattice dynamics and structural instability in Ni{sub 2}MnAl shape memory alloys. Inelastic neutron scattering is used to get more insight on the dynamic precursors of structural instability in Ni{sub 2}MnAl. Differential Scanning Calorimetry was used to characterise the martensitic transition in Ni{sub 2}MnAl alloys. Effects of composition and heat treatments have been investigated. The measured martensitic transition temperature in Ni-Mn-Al alloys depends linearly on the valence electron concentration. Two single crystals with different compositions have been succesfully grown using the Czochralski technique. Acoustic and optical phonon modes have been measured at room temperature in the high symmetry directions of the cubic B2 phase. The force constants have been fitted to the measured data using the Born-von Karman model. The character of the phonon softening measured in Ni{sub 2}MnAl corresponds to the pattern of atomic displacements of the modulations 2M, 10M, 12M and 14M observed in bulk and thin-films of Ni{sub 2}MnAl. The effect of the composition on the lattice instability has been investigated by measuring normal modes of vibration in two different crystals, Ni{sub 51}Mn{sub 18}Al{sub 31} and Ni{sub 53}Mn{sub 22}Al{sub 25}, with e/a ratios of 7.29 and 7.59 respectively. The stabilisation of a single L2{sub 1} phase in Ni{sub 2}MnAl by annealing a Ni{sub 51}Mn{sub 18}Al{sub 31} single crystal at 673 K during 45 days has been attempted. Despite of the long-time annealing, a single L2{sub 1} phase could not be stabilised because of either a slow diffusion kinetics or the establishment of an equilibrium between the L2{sub 1} and the B2 phases. Phonon measurements of the TA{sub 2}[{xi}{xi}0] branch in the annealed sample revealed a substantial effect. The wiggle, associated with the anomalous softening, is still present but the degree of softening is smaller below 673 K and changes
Munk, David J.; Kipouros, Timoleon; Vio, Gareth A.; Steven, Grant P.; Parks, Geoffrey T.
2017-11-01
Recently, the study of micro fluidic devices has gained much interest in various fields from biology to engineering. In the constant development cycle, the need to optimise the topology of the interior of these devices, where there are two or more optimality criteria, is always present. In this work, twin physical situations, whereby optimal fluid mixing in the form of vorticity maximisation is accompanied by the requirement that the casing in which the mixing takes place has the best structural performance in terms of the greatest specific stiffness, are considered. In the steady state of mixing this also means that the stresses in the casing are as uniform as possible, thus giving a desired operating life with minimum weight. The ultimate aim of this research is to couple two key disciplines, fluids and structures, into a topology optimisation framework, which shows fast convergence for multidisciplinary optimisation problems. This is achieved by developing a bi-directional evolutionary structural optimisation algorithm that is directly coupled to the Lattice Boltzmann method, used for simulating the flow in the micro fluidic device, for the objectives of minimum compliance and maximum vorticity. The needs for the exploration of larger design spaces and to produce innovative designs make meta-heuristic algorithms, such as genetic algorithms, particle swarms and Tabu Searches, less efficient for this task. The multidisciplinary topology optimisation framework presented in this article is shown to increase the stiffness of the structure from the datum case and produce physically acceptable designs. Furthermore, the topology optimisation method outperforms a Tabu Search algorithm in designing the baffle to maximise the mixing of the two fluids.
Directory of Open Access Journals (Sweden)
A. V. Morgun
2014-01-01
Full Text Available The review covers the current concepts on structural and functional heterogeneity of brain astrocytes that serve for numerous (pathophysiological processes in the central nervous system. Astrocytes from various subpopulations demonstrate different sensitivity to the action of pathogenic factors, varied behaviors in reactive processes and within the local immune response. Key functions of astrocytes like neurogenesis, neuron-astroglia metabolic coupling, glial control of local blood flow greatly depend on the origin and characteristics of astroglial cells. Changes at the initial stages of neurodegeneration or in neurodevelopmental disorders are associated with significant alterations in astroglial structural and functional properties, thus suggesting new approaches to therapeutic strategies implementing astroglia-expressing molecules and targets for effective
Yamaguchi, Tsuyoshi
2017-03-01
The frequency-dependent shear viscosity of high alcohols and linear alkanes, including 1-butanol, 1-octanol, 1-dodecanol, n-hexane, n-decane, and n-tetradecane, was calculated using molecular dynamics simulation. The relaxation of all the liquids was bimodal. The correlation functions of the collective orientation were also evaluated. The analysis of these functions showed that the slower relaxation mode of alkanes is assigned to the translation-orientation coupling, while that of high alcohols is not. The X-ray structure factors of all the alcohols showed prepeaks, as have been reported in the literature, and the intermediate scattering functions were calculated at the prepeak. Comparing the intermediate scattering function with the frequency-dependent shear viscosity based on the mode-coupling theory, it was demonstrated that the slower viscoelastic relaxation of the alcohols is assigned to the relaxation of the heterogeneous structure described by the prepeak.
First principles study on structural, lattice dynamical and thermal properties of BaCeO3
Zhang, Qingping; Ding, Jinwen; He, Min
2017-09-01
BaCeO3 exhibits impressive application potentials on solid oxide fuel cell electrolyte, hydrogen separation membrane and photocatalyst, owing to its unique ionic and electronic properties. In this article, the electronic structures, phonon spectra and thermal properties of BaCeO3 in orthorhombic, rhombohedral and cubic phases are investigated based on density functional theory. Comparisons with reported experimental results are also presented. The calculation shows that orthorhombic structure is both energetically and dynamically stable under ground state, which is supported by the experiment. Moreover, charge transfer between cations and anions accompanied with phase transition is observed, which is responsible for the softened phonon modes in rhombohedral and cubic phases. Besides, thermal properties are discussed. Oxygen atoms contribute most to the specific heat. The calculated entropy and specific heat at constant pressure fit well with the experimental ones within the measured temperature range.
Vidal, Julien; Trani, Fabio; Bruneval, Fabien; Marques, Miguel A L; Botti, Silvana
2010-04-02
We use hybrid functionals and restricted self-consistent GW, state-of-the-art theoretical approaches for quasiparticle band structures, to study the electronic states of delafossite Cu(Al,In)O2, the first p-type and bipolar transparent conductive oxides. We show that a self-consistent GW approximation gives remarkably wider band gaps than all the other approaches used so far. Accounting for polaronic effects in the GW scheme we recover a very nice agreement with experiments. Furthermore, the modifications with respect to the Kohn-Sham bands are strongly k dependent, which makes questionable the common practice of using a scissor operator. Finally, our results support the view that the low energy structures found in optical experiments, and initially attributed to an indirect transition, are due to intrinsic defects in the samples.
Comparison of lattice structures for air-guiding photonic band gap fibres
Amezcua, R.; Broderick, N.G.; Finazzi, V.; Richardson, D.J.
2005-01-01
The optical version of a crystal, namely the photonic crystal, is a periodic distribution of a dielectric structure with a period on the order of an optical wavelength. According to Maxwell's equations, under certain circumstances a photonic band gap can appear, and therefore the propagation of light with particular frequencies is completely forbidden . Photonic crystal fibres (PCF) composed of silica and air, have become very attractive for many new applications due to their special features...
First principle calculation of structure and lattice dynamics of Lu2Si2O7
Directory of Open Access Journals (Sweden)
Nazipov D.V.
2017-01-01
Full Text Available Ab initio calculations of crystal structure and Raman spectra has been performed for single crystal of lutetium pyrosilicate Lu2Si2O7. The types of fundamental vibrations, their frequencies and intensities in the Raman spectrum has been obtained for two polarizations. Calculations were made in the framework of density functional theory (DFT with hybrid functionals. The isotopic substitution was calculated for all inequivalent ions in cell. The results in a good agreement with experimental data.
X-ray structure, hydrogen bonding and lattice energy analysis of (2E ...
Indian Academy of Sciences (India)
Home; Journals; Bulletin of Materials Science; Volume 39; Issue 7 ... CCD area detector diffractometer (Oxford Diffraction)using Mo K α radiation ( λ = 0.7107 \\AA ) at 293(2) K. The crystal structures were solved by direct methods and refined by full-matrix least-square procedures to a final R value of 0.0468 [I] and 0.0486 [II].
Nanoscale heterogeneity as remnant hexagonal-type local structures in shocked Cu-Pb and Zr
Tayal, Akhil; Conradson, Steven D.; Batuk, Olga N.; Fensin, Saryu; Cerreta, Ellen; Gray, George T.; Saxena, Avadh
2017-09-01
Extended X-ray absorption fine structure spectroscopy was used to determine the local structure in: (1) Zr that had undergone quasistatic elongation; (2) Zr that had undergone plastic deformation by shock at pressures above and below the ω-phase transformation; and (3) shocked Cu that contained a few percent of insoluble Pb. Below the transition pressure, Zr samples showed only general disorder as increases in the widths of the Zr-Zr pair distributions. Above this pressure, Zr that was a mixture of the original hcp and the high pressure ω-phase when measured by diffraction showed two sets of peaks in its distribution corresponding to these two phases. Some of the ones from the ω-phase were at distances substantially different from those calculated from the diffraction pattern, although they are still consistent with small domains exhibiting stacking faults associated with hexagonal-type structural components exhibiting variability in the [0001] basal plane spacing. A similar result, new pairs at just over 3 and 4 Å consistent with hexagonal-type stacking faults in addition to the original fcc structure, is found in shocked Cu despite the absence of a second diffraction pattern and peak pressures being far below those expected to induce an fcc to hcp transition. This result, therefore, demonstrates that the correlation between high strain rates and reduced stacking fault energy continues down to the length scale of atom pairs. These findings are significant as: (1) a microscopic description of the behavior of systems far from equilibrium; (2) a demonstration of the importance of strain rate at short length scales; and (3) a bridge between the abruptness of macroscopic pressure-induced phase transitions and the continuity of martensitic ones over their fluctuation region in terms of the inverse relationship between the length scale of the martensitic texture, manifested here as ordered lattice distortions and the lower pressure at which such texture first appears
Fuzzy Soft Sets and Fuzzy Soft Lattices
National Research Council Canada - National Science Library
Shao, Yingchao; Qin, Keyun
2012-01-01
.... In this paper, the notion of fuzzy soft lattice is defined and some related properties are derived, which extends the notion of a fuzzy lattice to include the algebraic structures of soft sets...
Hero’s Journey as a Lattice Structure: A Case Study of Star Wars
Başarıcı, Samsun Mustafa; Kılıçaslan, Yılmaz
2017-01-01
Storytelling is one of the oldest human activities for sharing information, entertainment, etc., and it is not wrong to say that myths were the most common form of storytelling through all ages in all cultures. Thanks to the researchers starting with Adolf Bastian and followed by Carl Gustav Jung and Joseph Campbell we now know that there is a common structure in myths regardless the cultural environment they are told in. Among the monomyths of Jung maybe the most interesting one is the hero ...
Kodira, Ganapathy D.
Cellular metals exhibit combinations of mechanical, thermal and acoustic properties that provide opportunities for various implementations and applications; light weight aerospace and automobile structures, impact and noise absorption, heat dissipation, and heat exchange. Engineered cell topologies enable one to control mechanical, thermal, and acoustic properties of the gross cell structures. A possible way to manufacture complex 3D metallic cellular solids for mass production with a relatively low cost, the investment casting (IC) method may be used by combining the rapid prototyping (RP) of wax or injection molding. In spite of its potential to produce mass products of various 3D cellular metals, the method is known to have significant casting porosity as a consequence of the complex cellular topology which makes continuous fluid's access to the solidification interface difficult. The effects of temperature on the viscosity of the fluids were studied. A comparative cost analysis between AM-IC and additive manufacturing methods is carried out. In order to manufacture 3D cellular metals with various topologies for multi-functional applications, the casting porosity should be resolved. In this study, the relations between casting porosity and processing conditions of molten metals while interconnecting with complex cellular geometries are investigated. Temperature and pressure conditions on the rapid prototyping -- investment casting (RP-IC) method are reported, thermal stresses induced are also studied. The manufactured samples are compared with those made by additive manufacturing methods.
Energy Technology Data Exchange (ETDEWEB)
Gautam, Khyati, E-mail: khyati34@gmail.com; Nirwal, Varun Singh; Singh, Joginder; Peta, Koteswara Rao; Bhatnagar, P. K. [Department of Electronic Science, University of Delhi South Campus, Benito Juarez Road, New Delhi-110021 (India); Singh, Inderpreet [Department of Electronics, SGTB KhalsaCollege, University of Delhi, Delhi-110007 (India)
2016-05-06
In this work, we have synthesized ZnO nanorods over ZnO seeds/ITO/glass substrate by the facile hydrothermal method. ZnO seeds are grown at different temperatures ranging from 150°C to 550°C in steps of 100°C. We have studied the effect of strain on the structural and optical properties of ZnO nanorods. It was observed that the growth temperature of seed layer has an influence over the lattice strain present in the nanorods. The as synthesized nanorods were characterized by scanning electron microscope (SEM), x-ray diffraction (XRD) and photoluminescence (PL). SEM images confirm the formation of dense arrays of vertically aligned nanorods on seeds which are grown at 350°C. In addition to this, XRD patterns reveal that these ZnO nanorods are preferentially oriented along (002) direction. The strain analysis based on the XRD results reveals that the minimum value of strain is obtained at 350°C which is attributed to the improved crystalline quality of the interface of seed layer and nanorods leading to their c-axis alignment and enhancement of ultraviolet emission as observed in the PL spectra.
Jinuntuya, Fontip; Whiteley, Michael; Chen, Rui; Fly, Ashley
2018-02-01
The Gas Diffusion Layer (GDL) of a Polymer Electrolyte Membrane Fuel Cell (PEMFC) plays a crucial role in overall cell performance. It is responsible for the dissemination of reactant gasses from the gas supply channels to the reactant sites at the Catalyst Layer (CL), and the adequate removal of product water from reactant sites back to the gas channels. Existing research into water transport in GDLs has been simplified to 2D estimations of GDL structures or use virtual stochastic models. This work uses X-ray computed tomography (XCT) to reconstruct three types of GDL in a model. These models are then analysed via Lattice Boltzmann methods to understand the water transport behaviours under differing contact angles and pressure differences. In this study, the three GDL samples were tested over the contact angles of 60°, 80°, 90°, 100°, 120° and 140° under applied pressure differences of 5 kPa, 10 kPa and 15 kPa. By varying the contact angle and pressure difference, it was found that the transition between stable displacement and capillary fingering is not a gradual process. Hydrophilic contact angles in the region of 60°<θ < 90° showed stable displacement properties, whereas contact angles in the region of 100°<θ < 140° displayed capillary fingering characteristics.
Directory of Open Access Journals (Sweden)
Wei Jiang
2017-09-01
Full Text Available Fluorite (CaF2, a halogen elemental mineral, always co-exists with other minerals. The Ca element in fluorite is often replaced by rare earth elements (REEs, such as cerium (Ce and yttrium (Y. In this work, the electronic structures of fluorite crystals containing REE (Ce, Th, U, and Y impurities were studied by density functional theory (DFT. The calculated results showed that the presence of impurities increased the lattice parameter of fluorite. The impurities caused the Fermi level to shift towards the high energy direction, making the fluorite accept electrons more easily. The impurities except Y led to the occurrence of an impurities state in the valence band. The Mullinken population values of F–REE bonds were larger than that of F–Ca and F–F bonds, and F–Y bonds had the largest population value. Analysis of the frontier molecular orbital showed that the impurities contributed greatly to the lowest unoccupied molecular orbital (LUMO. The interaction between oleic acid and impurities-bearing fluorite were discussed. The results suggested that the incorporation of impurities would enhanced the reactivity of fluorite with oleic acid.
Birman, Joseph L.; Izyumov, Yuri A.
1980-02-01
We formulate the thermodynamic theory of phase transitions in magnetically ordered systems in terms of a tensor, or coupled, order parameter. This basis is constructed by coupling atomic spin and lattice displacement. Symmetry lowering is predicted at the second-order phase transition point (tricritical points are not considered here). Lower-symmetry phases should in general be classified according to the Shubnikov symmetry space group Sh, which will reveal the total broken symmetry due to the coupled order parameter. In case the apparatus is "blind" to one portion of the order parameter: either spin or displacement, the apparent symmetry group will not be Sh, but a related space group, which will reveal "partial information." Comparing this formulation and the usual (uncoupled) theory, new results are obtained here: for example "pseudoscalar order parameters" can arise and different "symmetry-broken" groups. An illustration is given by applying the formulation to the spinel-structure space group: O7h-Fd3m. It is conjectured that for TbNi2 the tensor order parameter Γ1- may be relevant, so that the phase transition which has been identified as O7h-->Sh101166 may actually be O7h-->Sh132227, caused by a pseudoscalar.
Energy Technology Data Exchange (ETDEWEB)
Rice, L.M.; Montabana, E.A.; Agard, D.A.
2009-05-21
GTP-dependent microtubule polymerization dynamics are required for cell division and are accompanied by domain rearrangements in the polymerizing subunit, alpha-tubulin. Two opposing models describe the role of GTP and its relationship to conformational change in alpha-tubulin. The allosteric model posits that unpolymerized alpha-tubulin adopts a more polymerization-competent conformation upon GTP binding. The lattice model posits that conformational changes occur only upon recruitment into the growing lattice. Published data support a lattice model, but are largely indirect and so the allosteric model has prevailed. We present two independent solution probes of the conformation of alpha-tubulin, the 2.3 A crystal structure of gamma-tubulin bound to GDP, and kinetic simulations to interpret the functional consequences of the structural data. These results (with our previous gamma-tubulin:GTPgammaS structure) support the lattice model by demonstrating that major domain rearrangements do not occur in eukaryotic tubulins in response to GTP binding, and that the unpolymerized conformation of alpha-tubulin differs significantly from the polymerized one. Thus, geometric constraints of lateral self-assembly must drive alpha-tubulin conformational changes, whereas GTP plays a secondary role to tune the strength of longitudinal contacts within the microtubule lattice. alpha-Tubulin behaves like a bent spring, resisting straightening until forced to do so by GTP-mediated interactions with the growing microtubule. Kinetic simulations demonstrate that resistance to straightening opposes microtubule initiation by specifically destabilizing early assembly intermediates that are especially sensitive to the strength of lateral interactions. These data provide new insights into the molecular origins of dynamic microtubule behavior.
Lattice Induced Transparency in Metasurfaces
Manjappa, Manukumara; Singh, Ranjan
2016-01-01
Lattice modes are intrinsic to the periodic structures and their occurrence can be easily tuned and controlled by changing the lattice constant of the structural array. Previous studies have revealed excitation of sharp absorption resonances due to lattice mode coupling with the plasmonic resonances. Here, we report the first experimental observation of a lattice induced transparency (LIT) by coupling the first order lattice mode (FOLM) to the structural resonance of a metamaterial resonator at terahertz frequencies. The observed sharp transparency is a result of the destructive interference between the bright mode and the FOLM mediated dark mode. As the FOLM is swept across the metamaterial resonance, the transparency band undergoes large change in its bandwidth and resonance position. Besides controlling the transparency behaviour, LIT also shows a huge enhancement in the Q-factor and record high group delay of 28 ps, which could be pivotal in ultrasensitive sensing and slow light device applications.
A Neutron Study of the Structure and Lattice Dynamics of Single Crystal PZT
Gehring, Peter
2011-03-01
The outstanding piezoelectric properties of PbZr 1-x Ti x O3 (PZT) perovskite ceramics have long been exploited in numerous device applications, making PZT arguably the most technologically important ferroelectric material in use today. Efforts to understand the piezoelectric mechanism have inspired a plethora of structural studies spanning decades, but solving the PZT phase diagram has proven to be famously problematic because single crystals have not been available save for Zr- and Ti-rich compositions that lie very near the end members PbZr O3 and PbTi O3 , where the piezoelectricity is weakest. Thus, whereas PZT has been the subject of thousands of powder and ceramic investigations, no consensus regarding the crystal structures of PZT exists. We report the first neutron diffraction study of single-crystal PZT with compositions x = 0.325 and 0.460. Our data refute the thesis that the ferroelectric phases of PZT within this composition range, all of which are highly piezoelectric, are purely monoclinic (Cc or Cm). The broadening of certain Bragg peaks can be interpreted in terms of coexisting rhombohedral and monoclinic domains, whereby monoclinic order is enhanced by Ti-doping. This is consistent with the theoretical proposal that the tendency to form macroscopic monoclinic phases facilitates the mechanism of polarization rotation by reducing the energy required to reorient the electric polarization. Dispersions of the lowest energy TO and TA phonon modes were measured on a single crystal of PZT with x = 0.325 in the paraelectric phase at 650 K. The TO mode energy drops at small wave-vectors suggesting that it is a soft mode associated with the ferroelectric phase transition at 590 K. Evidence of a second soft-mode, corresponding to a phase transition at 370 K at the R-point, is provided based on the redistribution of spectral weight as a function of temperature.
Julich, S.; Breuer, L.; Vaché, K. B.; Frede, H.
2007-12-01
The ability of a model to capture dominant ecological and hydrological processes is a prerequisite for the use of the model in studying impacts of landuse change on the water balance and nutrient fluxes from a watershed. However, in many cases, available model structures do not adequately represent processes of interest. In these cases, a pragmatic response is to revise the structure to better represent key processes. In this paper we outline a model application strategy designed to inject additional realism into a commonly applied model structure. Here we focus on the SWAT model in an application to the mesoscale (514 km 2) Wetter catchment, in central Germany. The catchment is characterized by a heterogeneous landscape structure and characteristics. The southwestern part is formed by a low mountain range with shallow soils over bedrock and steep slopes. Here lateral subsurface stormflow appears to be the dominant runoff generation process. The central and north- eastern regions of the basin are characterized by deep loess born soils and shallow slopes. We hypothesize that the much larger storage potential of the soils promotes vertical infiltration and storage, and that lateral runoff is much less significant. We utilize a variety of SWAT versions to evaluate the potential effects of this hypothesis on the capacity of the model to capture the measured runoff response. Our results indicate that the original SWAT- structure as well as the SWAT-G structure (which was applied to other low mountain catchments in Germany) are not able to acceptably represent the hydrograph. However, a hybrid of the two structures, specifically designed to reflect differences between the mountainous regions and the more gentle topography does result in a satisfactory representation of the hydrograph. The inclusion of elements from of both model structures (original SWAT and SWAT-G) seems to be the best way to reflect our hydrological process understanding, producing results which
King, Matthew D; Korter, Timothy M
2012-06-28
Dispersion forces are critical for defining the crystal structures and vibrational potentials of molecular crystals. It is, therefore, important to include corrections for these forces in periodic density functional theory (DFT) calculations of lattice vibrational frequencies. In this study, DFT was augmented with a correction term for London-type dispersion forces in the simulations of the structures and terahertz (THz) vibrational spectra of the dispersion-bound solids naphthalene and durene. The parameters of the correction term were modified to best reproduce the experimental crystal structures and THz spectra. It was found that the accurate reproduction of the lattice dimensions by adjusting the magnitude of the applied dispersion forces resulted in the highest-quality fit of the calculated vibrational modes with the observed THz absorptions. The method presented for the modification of the dispersion corrections provides a practical approach to accurately simulating the THz spectra of molecular crystals, accounting for inherent systematic errors imposed by computational and experimental factors.
Mesoscale Structures in the Adlayer of A-B2Heterogeneous Catalysis.
Sun, Fei; Huang, Wen Lai; Li, Jinghai
2017-10-24
This article explores the adsorbate distributions in the adlayer for a model A-B 2 system of heterogeneous catalysis, i.e., A + 1 / 2 B 2 → AB, via kinetic Monte Carlo (KMC) simulations. In comparison with our previous work on the A-B model (Sun, F.; Huang, W.; Li, J. Structural characteristics of the adlayer in heterogeneous catalysis. Chem. Eng. Sci. 2016, 153, 87-92), species B 2 here brings about significant new features due to its special site requirement during adsorption and desorption and a different stoichiometric ratio in reactions. The effects of various kinetic processes on the adsorbate distribution are found to be similar to those in the A-B system; that is, both desorption and diffusion (besides adsorption) processes contribute to the adlayer uniformity while reactions account for clustering. However, desorption exhibits a stronger role than diffusion in homogenizing the adlayer, which is opposite to the finding in the previous A-B model. Under a fixed partial pressure, different reaction and desorption rate constants can lead to steady states with different dominant species, which has not been observed in the A-B system. The regime of species B poisoning shrinks as well, leading to the spreading of the coexisting regime, in comparison with the A-B model.
Cox, William T L; Devine, Patricia G
2015-01-01
We advance a theory-driven approach to stereotype structure, informed by connectionist theories of cognition. Whereas traditional models define or tacitly assume that stereotypes possess inherently Group → Attribute activation directionality (e.g., Black activates criminal), our model predicts heterogeneous stereotype directionality. Alongside the classically studied Group → Attribute stereotypes, some stereotypes should be bidirectional (i.e., Group ⇄ Attribute) and others should have Attribute → Group unidirectionality (e.g., fashionable activates gay). We tested this prediction in several large-scale studies with human participants (NCombined = 4,817), assessing stereotypic inferences among various groups and attributes. Supporting predictions, we found heterogeneous directionality both among the stereotype links related to a given social group and also between the links of different social groups. These efforts yield rich datasets that map the networks of stereotype links related to several social groups. We make these datasets publicly available, enabling other researchers to explore a number of questions related to stereotypes and stereotyping. Stereotype directionality is an understudied feature of stereotypes and stereotyping with widespread implications for the development, measurement, maintenance, expression, and change of stereotypes, stereotyping, prejudice, and discrimination.
Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes.
Borodin, Oleg; Suo, Liumin; Gobet, Mallory; Ren, Xiaoming; Wang, Fei; Faraone, Antonio; Peng, Jing; Olguin, Marco; Schroeder, Marshall; Ding, Michael S; Gobrogge, Eric; von Wald Cresce, Arthur; Munoz, Stephen; Dura, Joseph A; Greenbaum, Steve; Wang, Chunsheng; Xu, Kang
2017-10-24
Using molecular dynamics simulations, small-angle neutron scattering, and a variety of spectroscopic techniques, we evaluated the ion solvation and transport behaviors in aqueous electrolytes containing bis(trifluoromethanesulfonyl)imide. We discovered that, at high salt concentrations (from 10 to 21 mol/kg), a disproportion of cation solvation occurs, leading to a liquid structure of heterogeneous domains with a characteristic length scale of 1 to 2 nm. This unusual nano-heterogeneity effectively decouples cations from the Coulombic traps of anions and provides a 3D percolating lithium-water network, via which 40% of the lithium cations are liberated for fast ion transport even in concentration ranges traditionally considered too viscous. Due to such percolation networks, superconcentrated aqueous electrolytes are characterized by a high lithium-transference number (0.73), which is key to supporting an assortment of battery chemistries at high rate. The in-depth understanding of this transport mechanism establishes guiding principles to the tailored design of future superconcentrated electrolyte systems.
Cox, William T. L.; Devine, Patricia G.
2015-01-01
We advance a theory-driven approach to stereotype structure, informed by connectionist theories of cognition. Whereas traditional models define or tacitly assume that stereotypes possess inherently Group → Attribute activation directionality (e.g., Black activates criminal), our model predicts heterogeneous stereotype directionality. Alongside the classically studied Group → Attribute stereotypes, some stereotypes should be bidirectional (i.e., Group ⇄ Attribute) and others should have Attribute → Group unidirectionality (e.g., fashionable activates gay). We tested this prediction in several large-scale studies with human participants (NCombined = 4,817), assessing stereotypic inferences among various groups and attributes. Supporting predictions, we found heterogeneous directionality both among the stereotype links related to a given social group and also between the links of different social groups. These efforts yield rich datasets that map the networks of stereotype links related to several social groups. We make these datasets publicly available, enabling other researchers to explore a number of questions related to stereotypes and stereotyping. Stereotype directionality is an understudied feature of stereotypes and stereotyping with widespread implications for the development, measurement, maintenance, expression, and change of stereotypes, stereotyping, prejudice, and discrimination. PMID:25811181
Directory of Open Access Journals (Sweden)
William T L Cox
Full Text Available We advance a theory-driven approach to stereotype structure, informed by connectionist theories of cognition. Whereas traditional models define or tacitly assume that stereotypes possess inherently Group → Attribute activation directionality (e.g., Black activates criminal, our model predicts heterogeneous stereotype directionality. Alongside the classically studied Group → Attribute stereotypes, some stereotypes should be bidirectional (i.e., Group ⇄ Attribute and others should have Attribute → Group unidirectionality (e.g., fashionable activates gay. We tested this prediction in several large-scale studies with human participants (NCombined = 4,817, assessing stereotypic inferences among various groups and attributes. Supporting predictions, we found heterogeneous directionality both among the stereotype links related to a given social group and also between the links of different social groups. These efforts yield rich datasets that map the networks of stereotype links related to several social groups. We make these datasets publicly available, enabling other researchers to explore a number of questions related to stereotypes and stereotyping. Stereotype directionality is an understudied feature of stereotypes and stereotyping with widespread implications for the development, measurement, maintenance, expression, and change of stereotypes, stereotyping, prejudice, and discrimination.
Yang, Bingjia; Xie, Pinchen; Zhang, Zhongzhi
2017-11-01
We studied the thermodynamic behaviors of non-interacting bosons and fermions trapped by a scale-invariant branching structure of adjustable degree of heterogeneity. The full energy spectrum in tight-binding approximation was analytically solved. We found that the log-periodic oscillation of the specific heat for Fermi gas depended on the heterogeneity of hopping. Also, low dimensional Bose-Einstein condensation occurred only for non-homogeneous setup.
Huysmans, Marijke; Dassargues, Alain
2014-05-01
In heterogeneous environments with complex geological structures, analysis of pumping and tracer tests is often problematic. Standard interpretation methods do not account for heterogeneity or simulate this heterogeneity introducing empirical zonation of the calibrated parameters or using variogram-based geostatistical techniques that are often not able to describe realistic heterogeneity in complex geological environments where e.g. sedimentary structures, multi-facies deposits, structures with large connectivity or curvi-linear structures can be present. Multiple-point geostatistics aims to overcome the limitations of the variogram and can be applied in different research domains to simulate heterogeneity in complex environments. In this project, multiple-point geostatistics is applied to the interpretation of pumping tests and a tracer test in an actual case of a sandy heterogeneous aquifer. This study allows to deduce the main advantages and disadvantages of this technique compared to variogram-based techniques for interpretation of pumping tests and tracer tests. A pumping test and a tracer test were performed in the same sandbar deposit consisting of cross-bedded units composed of materials with different grain sizes and hydraulic conductivities. The pumping test and the tracer test are analyzed with a local 3D groundwater model in which fine-scale sedimentary heterogeneity is modelled using multiple-point geostatistics. To reduce CPU and RAM requirements of the multiple-point geostatistical simulation steps, edge properties indicating the presence of irregularly-shaped surfaces are directly simulated. Results show that for the pumping test as well as for the tracer test, incorporating heterogeneity results in a better fit between observed and calculated drawdowns/concentrations. The improvement of the fit is however not as large as expected. In this paper, the reasons for these somewhat unsatisfactory results are explored and recommendations for future
Gauffre, Bertrand; Mallez, Sophie; Chapuis, Marie-Pierre; Leblois, Raphael; Litrico, Isabelle; Delaunay, Sabrina; Badenhausser, Isabelle
2015-04-01
Dispersal may be strongly influenced by landscape and habitat characteristics that could either enhance or restrict movements of organisms. Therefore, spatial heterogeneity in landscape structure could influence gene flow and the spatial structure of populations. In the past decades, agricultural intensification has led to the reduction in grassland surfaces, their fragmentation and intensification. As these changes are not homogeneously distributed in landscapes, they have resulted in spatial heterogeneity with generally less intensified hedged farmland areas remaining alongside streams and rivers. In this study, we assessed spatial pattern of abundance and population genetic structure of a flightless grasshopper species, Pezotettix giornae, based on the surveys of 363 grasslands in a 430-km² agricultural landscape of western France. Data were analysed using geostatistics and landscape genetics based on microsatellites markers and computer simulations. Results suggested that small-scale intense dispersal allows this species to survive in intensive agricultural landscapes. A complex spatial genetic structure related to landscape and habitat characteristics was also detected. Two P. giornae genetic clusters bisected by a linear hedged farmland were inferred from clustering analyses. This linear hedged farmland was characterized by high hedgerow and grassland density as well as higher grassland temporal stability that were suspected to slow down dispersal. Computer simulations demonstrated that a linear-shaped landscape feature limiting dispersal could be detected as a barrier to gene flow and generate the observed genetic pattern. This study illustrates the relevance of using computer simulations to test hypotheses in landscape genetics studies. © 2015 John Wiley & Sons Ltd.
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Borisenko, O., E-mail: oleg@bitp.kiev.ua [Bogolyubov Institute for Theoretical Physics, National Academy of Sciences of Ukraine, 03680 Kiev (Ukraine); Chelnokov, V., E-mail: chelnokov@bitp.kiev.ua [Bogolyubov Institute for Theoretical Physics, National Academy of Sciences of Ukraine, 03680 Kiev (Ukraine); Gravina, M., E-mail: gravina@fis.unical.it [Dipartimento di Fisica, Università della Calabria, and Istituto Nazionale di Fisica Nucleare, Gruppo Collegato di Cosenza, I-87036 Arcavacata di Rende, Cosenza (Italy); Papa, A., E-mail: papa@fis.unical.it [Dipartimento di Fisica, Università della Calabria, and Istituto Nazionale di Fisica Nucleare, Gruppo Collegato di Cosenza, I-87036 Arcavacata di Rende, Cosenza (Italy)
2014-11-15
We study numerically three-dimensional Z(N) lattice gauge theories at finite temperature, for N=5,6,8,12,13 and 20 on lattices with temporal extension N{sub t}=2,4,8. For each model, we locate phase transition points and determine critical indices. We propose also the scaling of critical points with N. The data obtained enable us to verify the scaling near the continuum limit for the Z(N) models at finite temperatures.
Crystal structure of the human heterogeneous ribonucleoprotein A18 RNA-recognition motif
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Coburn, Katherine; Melville, Zephan; Aligholizadeh, Ehson; Roth, Braden M.; Varney, Kristen M.; Carrier, France; Pozharski, Edwin; Weber, David J.
2017-03-22
The heterogeneous ribonucleoprotein A18 (hnRNP A18) is upregulated in hypoxic regions of various solid tumors and promotes tumor growth
2014-10-01
used in the feature vectors can range from scalar variables (e.g., chemical composition) to tensorial variables (e.g., crystal lattice orientation...intermediate configuration which maintains a perfect lattice . As such, estimating how a single crystal accommodates plastic deformation by crystallographic...Manuf Innov 3:6 5. Lütjering G, Williams JC (2007) Titanium. Springer, New York 6. Salem A, Glavicic M, Semiatin S (2008) A coupled EBSD/EDS method to
Ibarra-Hernández, Wilfredo; Elsayed, Hannan; Romero, Aldo H.; Bautista-Hernández, Alejandro; Olguín, Daniel; Cantarero, Andrés
2017-07-01
There is a growing interest in the property dependence of transition metal dichalcogenides as a function of the number of layers and formation of heterostructures. Depending on the stacking, doping, edge effects, and interlayer distance, the properties can be modified, which opens the door to novel applications that require a detailed understanding of the atomic mechanisms responsible for those changes. In this work, we analyze the electronic properties and lattice dynamics of a heterostructure constructed by simultaneously stacking InSe layers and GaSe layers bounded by van der Waals forces. We have assumed the same space group of GaSe, P 6 ¯m 2 as it becomes the lower energy configuration for other considered stackings. The structural, vibrational, and optical properties of this layered compound have been calculated using density functional theory. The structure is shown to be energetically, thermally, and elastically stable, which indicates its possible chemical synthesis. A correlation of the theoretical physical properties with respect to its parent compounds is extensively discussed. One of the most interesting properties is the low thermal conductivity, which indicates its potential use in thermolectric applications. Additionally, we discuss the possibility of using electronic gap engineering methods, which can help us to tune the optical emission in a variable range close to that used in the field of biological systems (NIR). Finally, the importance of considering properly van der Waals dispersion in layered materials has been emphasized as included in the exchange correlation functional. As for the presence of atoms with important spin-orbit coupling, relativistic corrections have been included.
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Iikubo, S; Kodama, K; Takenaka, K; Takagi, H; Shamoto, S, E-mail: iikubo@life.kyutech.ac.jp
2010-11-01
Magnetic and local structures in an antiperovskite system, Mn{sub 3}Cu{sub 1-x}Ge{sub x}N, with a giant negative thermal expansion have been studied by neutron powder diffraction measurement. We discuss (1) an importance of an averaged cubic crystal structure and a {Gamma}G{sup 5g} antiferromagnetic spin structure for the large magneto-volume effect (MVE) in this itinerant electron system, (2) an unique role of a local lattice distortion well described by the low temperature tetragonal structure of Mn{sub 3}GeN for the broadening of MVE.
Morikawa, Kazuya; Ohniwa, Ryosuke L; Ohta, Toshiko; Tanaka, Yoshikazu; Takeyasu, Kunio; Msadek, Tarek
2010-01-01
Staphylococcus aureus, a major opportunistic pathogen responsible for a broad spectrum of infections, naturally inhabits the human nasal cavity in about 30% of the population. The unique adaptive potential displayed by S. aureus has made it one of the major causes of nosocomial infections today, emphasized by the rapid emergence of multiple antibiotic-resistant strains over the past few decades. The uncanny ability to adapt to harsh environments is essential for staphylococcal persistence in infections or as a commensal, and a growing body of evidence has revealed critical roles in this process for cellular structural dynamics, and population heterogeneity. These two exciting areas of research are now being explored to identify new molecular mechanisms governing these adaptational strategies.
Jiao, Jingpin; Chang, Yu; Wu, Chao; Wu, Bin; He, Cunfu
2017-12-01
Failures caused by carbon deposits have always been a challenge in hydrocarbon processes. In this paper, a nonlinear acoustic resonance technique was investigated to characterize heterogeneous deposits on the surface of metal structures. The amplitude-frequency curves of the fundamental and second-harmonic responses were measured at various excitation levels. Experimental results indicated that the dependence of the resonant spectrum of the second harmonic response on the excitation level is based on the status of the deposit. Moreover, two hysteretic nonlinear parameters related to the second harmonic, the hysteretic elastic nonlinearity and the hysteretic dissipative nonlinearity, were proposed for the quantitative characterization of the deposited layers. The developed nonlinear acoustic resonance method in the megahertz region was used for quantitative evaluation of carbon deposits in a pipe, and the feasibility of the method for assessing carbon deposits was demonstrated.
Wu, Zhi-Xi; Rong, Zhihai; Yang, Han-Xin
2015-01-01
Recent empirical studies suggest that heavy-tailed distributions of human activities are universal in real social dynamics [L. Muchnik, S. Pei, L. C. Parra, S. D. S. Reis, J. S. Andrade Jr., S. Havlin, and H. A. Makse, Sci. Rep. 3, 1783 (2013)]. On the other hand, community structure is ubiquitous in biological and social networks [M. E. J. Newman, Nat. Phys. 8, 25 (2012)]. Motivated by these facts, we here consider the evolutionary prisoner's dilemma game taking place on top of a real social network to investigate how the community structure and the heterogeneity in activity of individuals affect the evolution of cooperation. In particular, we account for a variation of the birth-death process (which can also be regarded as a proportional imitation rule from a social point of view) for the strategy updating under both weak and strong selection (meaning the payoffs harvested from games contribute either slightly or heavily to the individuals' performance). By implementing comparative studies, where the players are selected either randomly or in terms of their actual activities to play games with their immediate neighbors, we figure out that heterogeneous activity benefits the emergence of collective cooperation in a harsh environment (the action for cooperation is costly) under strong selection, whereas it impairs the formation of altruism under weak selection. Moreover, we find that the abundance of communities in the social network can evidently foster the formation of cooperation under strong selection, in contrast to the games evolving on randomized counterparts. Our results are therefore helpful for us to better understand the evolution of cooperation in real social systems.
Wu, Zhi-Xi; Rong, Zhihai; Yang, Han-Xin
2015-01-01
Recent empirical studies suggest that heavy-tailed distributions of human activities are universal in real social dynamics [L. Muchnik, S. Pei, L. C. Parra, S. D. S. Reis, J. S. Andrade Jr., S. Havlin, and H. A. Makse, Sci. Rep. 3, 1783 (2013), 10.1038/srep01783]. On the other hand, community structure is ubiquitous in biological and social networks [M. E. J. Newman, Nat. Phys. 8, 25 (2012), 10.1038/nphys2162]. Motivated by these facts, we here consider the evolutionary prisoner's dilemma game taking place on top of a real social network to investigate how the community structure and the heterogeneity in activity of individuals affect the evolution of cooperation. In particular, we account for a variation of the birth-death process (which can also be regarded as a proportional imitation rule from a social point of view) for the strategy updating under both weak and strong selection (meaning the payoffs harvested from games contribute either slightly or heavily to the individuals' performance). By implementing comparative studies, where the players are selected either randomly or in terms of their actual activities to play games with their immediate neighbors, we figure out that heterogeneous activity benefits the emergence of collective cooperation in a harsh environment (the action for cooperation is costly) under strong selection, whereas it impairs the formation of altruism under weak selection. Moreover, we find that the abundance of communities in the social network can evidently foster the formation of cooperation under strong selection, in contrast to the games evolving on randomized counterparts. Our results are therefore helpful for us to better understand the evolution of cooperation in real social systems.
GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing.
Directory of Open Access Journals (Sweden)
Ye Fang
Full Text Available Computational modeling of drug binding to proteins is an integral component of direct drug design. Particularly, structure-based virtual screening is often used to perform large-scale modeling of putative associations between small organic molecules and their pharmacologically relevant protein targets. Because of a large number of drug candidates to be evaluated, an accurate and fast docking engine is a critical element of virtual screening. Consequently, highly optimized docking codes are of paramount importance for the effectiveness of virtual screening methods. In this communication, we describe the implementation, tuning and performance characteristics of GeauxDock, a recently developed molecular docking program. GeauxDock is built upon the Monte Carlo algorithm and features a novel scoring function combining physics-based energy terms with statistical and knowledge-based potentials. Developed specifically for heterogeneous computing platforms, the current version of GeauxDock can be deployed on modern, multi-core Central Processing Units (CPUs as well as massively parallel accelerators, Intel Xeon Phi and NVIDIA Graphics Processing Unit (GPU. First, we carried out a thorough performance tuning of the high-level framework and the docking kernel to produce a fast serial code, which was then ported to shared-memory multi-core CPUs yielding a near-ideal scaling. Further, using Xeon Phi gives 1.9× performance improvement over a dual 10-core Xeon CPU, whereas the best GPU accelerator, GeForce GTX 980, achieves a speedup as high as 3.5×. On that account, GeauxDock can take advantage of modern heterogeneous architectures to considerably accelerate structure-based virtual screening applications. GeauxDock is open-sourced and publicly available at www.brylinski.org/geauxdock and https://figshare.com/articles/geauxdock_tar_gz/3205249.
Koshiyama, Kenichiro; Nishimoto, Keisuke; Ii, Satoshi; Sera, Toshihiro; Wada, Shigeo
2018-01-20
The pulmonary acinus is a dead-end microstructure that consists of ducts and alveoli. High-resolution micro-CT imaging has recently provided detailed anatomical information of a complete in vivo acinus, but relating its mechanical response with its detailed acinar structure remains challenging. This study aimed to investigate the mechanical response of acinar tissue in a whole acinus for static inflation using computational approaches. We performed finite element analysis of a whole acinus for static inflation. The acinar structure model was generated based on micro-CT images of an intact acinus. A continuum mechanics model of the lung parenchyma was used for acinar tissue material model, and surface tension effects were explicitly included. An anisotropic mechanical field analysis based on a stretch tensor was combined with a curvature-based local structure analysis. The airspace of the acinus exhibited nonspherical deformation as a result of the anisotropic deformation of acinar tissue. A strain hotspot occurred at the ridge-shaped region caused by a rod-like deformation of acinar tissue on the ridge. The local structure becomes bowl-shaped for inflation and, without surface tension effects, the surface of the bowl-shaped region primarily experiences isotropic deformation. Surface tension effects suppressed the increase in airspace volume and inner surface area, while facilitating anisotropic deformation on the alveolar surface. In the lungs, the heterogeneous acinar structure and surface tension induce anisotropic deformation at the acinar and alveolar scales. Further research is needed on structural variation of acini, inter-acini connectivity, or dynamic behavior to understand multiscale lung mechanics. Copyright © 2018 Elsevier Ltd. All rights reserved.
Dong, Yi; Goubert, Guillaume; Groves, Michael N; Lemay, Jean-Christian; Hammer, Bjørk; McBreen, Peter H
2017-05-16
The modification of heterogeneous catalysts through the chemisorption of chiral molecules is a method to create catalytic sites for enantioselective surface reactions. The chiral molecule is called a chiral modifier by analogy to the terms chiral auxiliary or chiral ligand used in homogeneous asymmetric catalysis. While there has been progress in understanding how chirality transfer occurs, the intrinsic difficulties in determining enantioselective reaction mechanisms are compounded by the multisite nature of heterogeneous catalysts and by the challenges facing stereospecific surface analysis. However, molecular descriptions have now emerged that are sufficiently detailed to herald rapid advances in the area. The driving force for the development of heterogeneous enantioselective catalysts stems, at the minimum, from the practical advantages they might offer over their homogeneous counterparts in terms of process scalability and catalyst reusability. The broader rewards from their study lie in the insights gained on factors controlling selectivity in heterogeneous catalysis. Reactions on surfaces to produce a desired enantiomer in high excess are particularly challenging since at room temperature, barrier differences as low as ∼2 kcal/mol between pathways to R and S products are sufficient to yield an enantiomeric ratio (er) of 90:10. Such small energy differences are comparable to weak interadsorbate interaction energies and are much smaller than chemisorption or even most physisorption energies. In this Account, we describe combined experimental and theoretical surface studies of individual diastereomeric complexes formed between chiral modifiers and prochiral reactants on the Pt(111) surface. Our work is inspired by the catalysis literature on the enantioselective hydrogenation of activated ketones on cinchona-modified Pt catalysts. Using scanning tunneling microscopy (STM) measurements and density functional theory (DFT) calculations, we probe the structures
Faria, Luiz F O; Paschoal, Vitor H; Lima, Thamires A; Ferreira, Fabio F; Freitas, Rafael S; Ribeiro, Mauro C C
2017-10-26
A local order-disorder transition has been disclosed in the thermophysical behavior of the ionic liquid 1-benzyl-3-methylimidazolium dicyanamide, [Bzmim][N(CN)2], and its microscopic nature revealed by spectroscopic techniques. Differential scanning calorimetry and specific heat measurements show a thermal event of small enthalpy variation taking place in the range 250-260 K, which is not due to crystallization or melting. Molecular dynamic simulations and X-ray diffraction measurements have been used to discuss the segregation of domains in the liquid structure of [Bzmim][N(CN)2]. Raman and NMR spectroscopy measurements as a function of temperature indicate that the microscopic origin of the event observed in the calorimetric measurements comes from structural rearrangement involving the benzyl group. The results indicate that the characteristic structural heterogeneity allow for rearrangements within local domains implying the good glass-forming ability for the low viscosity ionic liquid [Bzmim][N(CN)2]. This work sheds light on our understanding of the microscopic origin behind complex thermal behavior of ionic liquids.
Heterogeneous structure in colloidal systems: the role of the microion disposition.
Schmitz, Kenneth S
2002-12-01
Under certain conditions colloidal systems exhibit a heterogeneous structure sometimes referred to as a "two state" structure, "spinodal instability," or a "phase separation." The present study focuses on the "orbital model" for the description of two geometries of colloidal clusters: a 7-particle diamond shape array and an 8-particle simple cubic array. The orbital model envisions the distribution of the microions as being dictated by the specific configuration of all the macroions in the system, in much the same way that electron distributions in molecules are determined by the array of atoms. Brownian dynamics simulations were performed as two similar clusters approached each other in rectangular cells at the volume fraction of phi(p)=0.01. The number distributions of both the counterion and coion species were determined three ways: the one-dimensional projection along the long axis of the computations cell; the three-dimensional number distributions in "real" space; and a "constant concentration" contour profile. It was found that as the two clusters approached each other the diamond cluster system became less stable whereas the simple cubic cluster system became more stable. This difference in behavior is attributed to the relative abilities of these structures to "share" counterions and the exclusion of the coions.
Indra, Arindam; Menezes, Prashanth W; Driess, Matthias
2015-03-01
Artificial photosynthesis by harvesting solar light into chemical energy could solve the problems of energy conversion and storage in a sustainable way. In nature, CO2 and H2 O are transformed into carbohydrates by photosynthesis to store the solar energy in chemical bonds and water is oxidized to O2 in the oxygen-evolving center (OEC) of photosystem II (PS II). The OEC contains CaMn4 O5 cluster in which the metals are interconnected through oxido bridges. Inspired by biological systems, manganese-oxide-based catalysts have been synthesized and explored for water oxidation. Structural, functional modeling, and design of the materials have prevailed over the years to achieve an effective and stable catalyst system for water oxidation. Structural flexibility with eg(1) configuration of Mn(III) , mixed valency in manganese, and higher surface area are the main requirements to attain higher efficiency. This Minireview discusses the most recent progress in heterogeneous manganese-oxide-based catalysts for efficient chemical, photochemical, and electrochemical water oxidation as well as the structural requirements for the catalyst to perform actively. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Ruh, Alexander; Scherer, Harald; Kiselev, Valerij G
2017-05-19
Recent studies have addressed the determination of the NMR precession frequency in biological tissues containing magnetic susceptibility differences between cell types. The purpose of this study is to investigate the dependence of the precession frequency on medium microstructure using a simple physical model. This dependence is governed by diffusion of NMR-visible molecules in magnetically heterogeneous microenvironments. In the limit of fast diffusion, the precession frequency is determined by the average susceptibility-induced magnetic field, whereas in the limit of slow diffusion it is determined by the average local phase factor of precessing spins. The main method used is Monte Carlo simulation of isotropic suspensions of impermeable magnetized spheres. In addition, NMR spectroscopy was performed in aqueous suspensions of polystyrene microbeads. The precession frequency depends on the structural organization of magnetized objects in the medium. Monte Carlo simulations demonstrated a nonmonotonic transition between the regimes of fast and slow diffusion. NMR experiments confirmed the transition, but were unable to confirm its precise form. Results for a given pattern of structural organization obey a scaling law. The NMR precession frequency exhibits a complex dependence on medium structure. Our results suggest that the commonly assumed limit of fast water diffusion holds for biological tissues with small cells. Magn Reson Med, 2017. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.
Fine Mapping of Bone Structure and Strength QTLs in Heterogeneous Stock Rat
Alam, Imranul; Koller, Daniel L.; Cañete, Toni; Blázquez, Gloria; Mont-Cardona, Carme; López-Aumatell, Regina; Martínez-Membrives, Esther; Díaz-Morán, Sira; Tobeña, Adolf; Fernández-Teruel, Alberto; Stridh, Pernilla; Diez, Margarita; Olsson, Tomas; Johannesson, Martina; Baud, Amelie; Econs, Michael J.; Foroud, Tatiana
2015-01-01
We previously demonstrated that skeletal structure and strength phenotypes vary considerably in heterogeneous stock (HS) rats. These phenotypes were found to be strongly heritable, suggesting that the HS rat model represents a unique genetic resource for dissecting the complex genetic etiology underlying bone fragility. The purpose of this study was to identify and localize genes associated with bone structure and strength phenotypes using 1524 adult male and female HS rats between 17 to 20 weeks of age. Structure measures included femur length, neck width, head width; femur and lumbar spine (L3-5) areas obtained by DXA; and cross-sectional areas (CSA) at the midshaft, distal femur and femoral neck, and the 5th lumbar vertebra measured by CT. In addition, measures of strength of the whole femur and femoral neck were obtained. Approximately 70,000 polymorphic SNPs distributed throughout the rat genome were selected for genotyping, with a mean linkage disequilibrium coefficient between neighboring SNPs of 0.95. Haplotypes were estimated across the entire genome for each rat using a multipoint haplotype reconstruction method, which calculates the probability of descent at each locus from each of the 8 HS founder strains. The haplotypes were then tested for association with each structure and strength phenotype via a mixed model with covariate adjustment. We identified quantitative trait loci (QTLs) for structure phenotypes on chromosomes 3, 8, 10, 12, 17 and 20, and QTLs for strength phenotypes on chromosomes 5, 10 and 11 that met a conservative genome-wide empiric significance threshold (FDR=5%; P<3 × 10−6). Importantly, most QTLs were localized to very narrow genomic regions (as small as 0.3Mb and up to 3 Mb), each harboring a small set of candidate genes, both novel and previously shown to have roles in skeletal development and homeostasis. PMID:26297441
Ecrepont, Stephane; Cudennec, Christophe; Jaffrezic, Anne; de Lavenne, Alban
2017-04-01
Towards hydrochemical PUB - stable vs. heterogeneous NO3 and DOC signatures across hydrographic structure and size Ecrepont, S.1Cudennec, C.1 Jaffrézic, A.1 de Lavenne, A.2 1UMR SAS, Agrocampus Ouest, Rennes, France 2 HBAN, Irstea, Antony, France Intensive agriculture is a major disturbing factor for water quality in Brittany, France. Observations of chemical data from 350 catchments over a 15 year period show that the high variability of hydrochemical dynamics between catchments in relation to geographic characteristics and farming practices, decreases with an increase in the catchment size. A stable signature of nitrate and DOC dynamics does emerge for bigger catchments, and was evidenced statistically. We adapted a modified version of the standard deviation formula to calculate an index on mean inter-annual winter nitrate and dissolved organic carbon concentrations to characterize each catchment. The method was applied to the whole sample of catchments, some of them nested, to investigate variation of our new index across scales and regions. Results show an increasing and non-linear relationship between the criterion and the surface, with threshold effects. The stability of the thresholds across river basins in Brittany, and across seasons and years is explored. This emergence relates to the progressive connection of streams with heterogeneous characteristic chemical signatures into a mixing dominant effect. The better assessment of this relationship opens two major perspectives: i) to define a geomorphology-based PUB (Prediction in Ungauged Basins) approach for hydrochemistry; ii) to identify the most critical sub-catchments for mitigating actions in terms of farming and landscape practices towards water quality recovery.
Local lattice distortions vs. structural phase transition in NdFeAsO{sub 1−x}F{sub x}
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Calamiotou, M., E-mail: mcalam@phys.uoa.gr [Solid State Physics Department, Faculty of Physics, University of Athens, GR-15784 Athens (Greece); Lampakis, D. [TEI Larissa, GR 41334 Larissa (Greece); Zhigadlo, N.D.; Katrych, S.; Karpinski, J. [Laboratory for Solid State Physics, ETH Zurich, 8093 Zurich (Switzerland); Fitch, A. [ESRF, The European Synchrotron, 71 Avenue des Martyrs, 38000, Grenoble (France); Tsiaklagkanos, P.; Liarokapis, E. [Department of Physics, National Technical University of Athens, GR15780, Athens (Greece)
2016-08-15
Highlights: • We studied two concentrations, representatives of the superconducting and the non-superconducting regions of the phase diagram of NdFeAsO{sub 1−x}F{sub x} system, by combining high resolution high statistics synchrotron diffraction with micro-Raman data as a function of temperature. • The evolution of the atomic displacement parameters, which agree with modifications in the phonon spectra, point to an isostructural disorded phase in the superconducting sample, in contrast to a tetragonal to orthorhombic long range phase transition that occurs at low doping. • Based on the absence of magnetic effects in this temperature range for the superconducting sample, we attribute the observed lattice anomalies to the formation of local lattice distortions that, being screened by the carriers, can only acquire long-range coherence by means of a structural phase transition at low doping levels. - Abstract: The lattice properties at low temperatures of two samples of NdFeAsO{sub 1−x}F{sub x} (x = 0.05 and 0.25) have been examined in order to investigate possible structural phase transition that may occur in the optimally doped superconducting sample with respect to the non-superconducting low-F concentration compound. In order to detect small modifications in the ion displacements with temperature micro-Raman and high resolution synchrotron powder diffraction measurements were carried out. No increase of the width of the (2 2 0) or (3 2 2) tetragonal diffraction peaks and microstrains could be found in the superconducting sample from synchrotron XRD measurements. On the other hand, the atomic displacement parameters deviate from the expected behavior, in agreement with modifications in the phonon width, as obtained by Raman scattering. These deviations occur around 150 K for both F dopings, with distinct differences among the two compounds, i.e., they decrease at low doping and increase for the superconducting sample. The data do not support a hidden
Energy Technology Data Exchange (ETDEWEB)
Demontis, Pierfranco; Suffritti, Giuseppe B. [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy); Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Unità di ricerca di Sassari, Via Vienna, 2, I-07100 Sassari (Italy); Gulín-González, Jorge [Grupo de Matemática y Física Computacionales, Universidad de las Ciencias Informáticas (UCI), Carretera a San Antonio de los Baños, Km 21/2, La Lisa, La Habana (Cuba); Masia, Marco [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy); Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Unità di ricerca di Sassari, Via Vienna, 2, I-07100 Sassari (Italy); Istituto Officina dei Materiali del CNR, UOS SLACS, Via Vienna 2, 07100 Sassari (Italy); Sant, Marco [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy)
2015-06-28
In order to study the interplay between dynamical heterogeneities and structural properties of bulk liquid water in the temperature range 130–350 K, thus including the supercooled regime, we use the explicit trend of the distribution functions of some molecular properties, namely, the rotational relaxation constants, the atomic mean-square displacements, the relaxation of the cross correlation functions between the linear and squared displacements of H and O atoms of each molecule, the tetrahedral order parameter q and, finally, the number of nearest neighbors (NNs) and of hydrogen bonds (HBs) per molecule. Two different potentials are considered: TIP4P-Ew and a model developed in this laboratory for the study of nanoconfined water. The results are similar for the dynamical properties, but are markedly different for the structural characteristics. In particular, for temperatures higher than that of the dynamic crossover between “fragile” (at higher temperatures) and “strong” (at lower temperatures) liquid behaviors detected around 207 K, the rotational relaxation of supercooled water appears to be remarkably homogeneous. However, the structural parameters (number of NNs and of HBs, as well as q) do not show homogeneous distributions, and these distributions are different for the two water models. Another dynamic crossover between “fragile” (at lower temperatures) and “strong” (at higher temperatures) liquid behaviors, corresponding to the one found experimentally at T{sup ∗} ∼ 315 ± 5 K, was spotted at T{sup ∗} ∼ 283 K and T{sup ∗} ∼ 276 K for the TIP4P-Ew and the model developed in this laboratory, respectively. It was detected from the trend of Arrhenius plots of dynamic quantities and from the onset of a further heterogeneity in the rotational relaxation. To our best knowledge, it is the first time that this dynamical crossover is detected in computer simulations of bulk water. On the basis of the simulation results, the possible
Hirn, A.
2002-12-01
Réunion island in the Indian Ocean is commonly considered as the recent and active expression of the hotspot that formed the Deccan traps, although both the hypothesis of recent small hotspots for both Reunion and Mauritius, or of relation with the plate heterogeneity have been proposed. Structural studies by seismic methods, from the scale of the upper cone of the active Fournaise volcano to that of the crust 100 km around, have been carried out. At this scale significant departures appear from the Hawaiian case to which it is traditionally compared, with the seismic signature of active volcanism showing differences too. Refraction-reflection seismics do not see a geometry of the top of the underlying plate towards the island, expected in plate flexure modelling by analogy with other hotspot island. Where it is sampled, doming is suggested instead. There appears to be less magmatic products than if there was a large amount buried in a flexural depression. The velocity structure resolved for the volcanic island, apart from high velocity cores under the volcanoes leads to smaller overall density than usually considered in flexure modelling. The same appears to hold for the material of the cone of about 120 km radius rising above the regional sea-bottom level to the 30 km radius island, from coincident reflection and refraction seismics on several lines radial to the southeastern half of the island. At the crust-mantle level, there is evidence from reflection-refraction line extending 150 km either side of the island for a layer of velocity intermediate between normal crust and mantle values. Two radial reflection line to the SSW, close to each other detect a differences in depth of the oceanic basement. This may coincide with a fracture zone suggested from the reconstruction of the sea-floor spreading history from the magnetic anomaly pattern. The latter has been interpreted previously to indicate that the western part of Réunion developed atop a Paleogene fossil
Shao Hui Xu; Guang Tao Fei; Hao Miao Ouyang; Guo Liang Shang; Xu Dong Gao; Li Zhang
2017-01-01
Composite hollow nanostructure composed by transition metal oxides are promising materials in electrochemistry, catalyst chemistry and material science. In this contribution, necklace-like NiO-CuO heterogeneous composite hollow nanostructures were synthesized by annealing Ni/Cu superlattice nanowires in air. Two kinds of morphologies including CuO nanotube linked core-shell structures and CuO nanotube linked hollow structures were obtained. The structure can be tuned easily by adjusting the r...
Sears, Michael W; Angilletta, Michael J
2015-04-01
In recent years, ecologists have stepped up to address the challenges imposed by rapidly changing climates. Some researchers have developed niche-based methods to predict how species will shift their ranges. Such methods have evolved rapidly, resulting in models that incorporate physiological and behavioral mechanisms. Despite their sophistication, these models fail to account for environmental heterogeneity at the scale of an organism. We used an individual-based model to quantify the effects of operative environmental temperatures, as well as their heterogeneity and spatial structure, on the thermoregulation, movement, and energetics of ectotherms. Our simulations showed that the heterogeneity and spatial structure of a thermal landscape are as important as its mean temperature. In fact, temperature and heterogeneity interact to determine organismal performance. Consequently, the popular index of environmental quality (d(e)), which ignores variance and spatial structure, is inherently flawed as a descriptor of the thermal quality of an environment. Future efforts to model species' distributions should link thermoregulation and activity to environmental heterogeneity at fine scales.
Lee, Dohoon; McLanahan, Sara
2015-08-01
A growing literature documents the importance of family instability for child wellbeing. In this article, we use longitudinal data from the Fragile Families and Child Wellbeing Study to examine the impacts of family instability on children's cognitive and socioemotional development in early and middle childhood. We extend existing research in several ways: (1) by distinguishing between the number and types of family structure changes; (2) by accounting for time-varying as well as time-constant confounding; and (3) by assessing racial/ethnic and gender differences in family instability effects. Our results indicate that family instability has a causal effect on children's development, but the effect depends on the type of change, the outcome assessed, and the population examined. Generally speaking, transitions out of a two-parent family are more negative for children's development than transitions into a two-parent family. The effect of family instability is stronger for children's socioemotional development than for their cognitive achievement. For socioemotional development, transitions out of a two-parent family are more negative for white children, whereas transitions into a two-parent family are more negative for Hispanic children. These findings suggest that future research should pay more attention to the type of family structure transition and to population heterogeneity.
Chremos, Alexandros; Glynos, Emmanouil; Green, Peter F.
2015-01-01
Structural and dynamical properties of star melts have been investigated with molecular dynamics simulations of a bead-spring model. Star polymers are known to be heterogeneous, but a systematic simulation study of their properties in melt conditions near the glass transition temperature was lacking. To probe their properties, we have expanded from linear to star polymers the applicability of Dobkowski's chain-length dependence correlation function [Z. Dobkowski, Eur. Polym. J. 18, 563 (1982)]. The density and the isokinetic temperature, based on the canonical definition of the laboratory glass-transition, can be described well by the correlation function and a subtle behavior manifests as the architecture becomes more complex. For linear polymer chains and low functionality star polymers, we find that an increase of the arm length would result in an increase of the density and the isokinetic temperature, but high functionality star polymers have the opposite behavior. The effect between low and high functionalities is more pronounced for short arm lengths. Complementary results such as the specific volume and number of neighbors in contact provide further insights on the subtle relation between structure and dynamics. The findings would be valuable to polymer, colloidal, and nanocomposites fields for the design of materials in absence of solution with the desired properties.
Elimination of spurious lattice fermion solutions and noncompact lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Lee, T.D.
1997-09-22
It is well known that the Dirac equation on a discrete hyper-cubic lattice in D dimension has 2{sup D} degenerate solutions. The usual method of removing these spurious solutions encounters difficulties with chiral symmetry when the lattice spacing l {ne} 0, as exemplified by the persistent problem of the pion mass. On the other hand, we recall that in any crystal in nature, all the electrons do move in a lattice and satisfy the Dirac equation; yet there is not a single physical result that has ever been entangled with a spurious fermion solution. Therefore it should not be difficult to eliminate these unphysical elements. On a discrete lattice, particle hop from point to point, whereas in a real crystal the lattice structure in embedded in a continuum and electrons move continuously from lattice cell to lattice cell. In a discrete system, the lattice functions are defined only on individual points (or links as in the case of gauge fields). However, in a crystal the electron state vector is represented by the Bloch wave functions which are continuous functions in {rvec {gamma}}, and herein lies one of the essential differences.
Cismasu, C.; Michel, F. M.; Stebbins, J. F.; Tcaciuc, A. P.; Brown, G. E.
2008-12-01
methods to study such naturally occurring nanomaterials, both at the molecular- and nm-scale. This work provides structural information at the short-, medium- and long- range, as well as evidence of compositional heterogeneity, and mineral/organic matter associations.
Sagar, Vatsala; Chaturvedi, Sumit K; Schuck, Peter; Wistow, Graeme
2017-07-05
Previous attempts to crystallize mammalian γS-crystallin were unsuccessful. Native L16 chicken γS crystallized avidly while the Q16 mutant did not. The X-ray structure for chicken γS at 2.3 Å resolution shows the canonical structure of the superfamily plus a well-ordered N arm aligned with a β sheet of a neighboring N domain. L16 is also in a lattice contact, partially shielded from solvent. Unexpectedly, the major lattice contact matches a conserved interface (QR) in the multimeric β-crystallins. QR shows little conservation of residue contacts, except for one between symmetry-related tyrosines, but molecular dipoles for the proteins with QR show striking similarities while other γ-crystallins differ. In γS, QR has few hydrophobic contacts and features a thin layer of tightly bound water. The free energy of QR is slightly repulsive and analytical ultracentrifugation confirms no dimerization in solution. The lattice contacts suggest how γ-crystallins allow close packing without aggregation in the crowded environment of the lens. Published by Elsevier Ltd.
Hoang, Khang
2017-12-01
We report a detailed first-principles study of doping in Li2MnO3 , in both the dilute doping limit and heavy doping, using hybrid density-functional calculations. We find that Al, Fe, Mo, and Ru impurities are energetically most favorable when incorporated into Li2MnO3 at the Mn site, whereas Mg is most favorable when doped at the Li sites. Nickel, on the other hand, can be incorporated at the Li site and/or the Mn site, and the distribution of Ni over the lattice sites can be tuned by tuning the material preparation conditions. There is a strong interplay among the lattice site preference and charge and spin states of the dopant, the electronic structure of the doped material, and the delithiation mechanism. The calculated electronic structure and voltage profile indicate that in Ni-, Mo-, or Ru-doped Li2MnO3 , oxidation occurs on the electrochemically active transition-metal ion(s) before it does on oxygen during the delithiation process. The role of the dopants is to provide charge compensation and bulk electronic conduction mechanisms in the initial stages of delithiation, hence enabling the oxidation of the lattice oxygen in the later stages. This work thus illustrates how the oxygen-oxidation mechanism can be used in combination with the conventional mechanism involving transition-metal cations in design of high-capacity battery cathode materials.
Skelton, Jonathan M.; Jackson, Adam J.; Dimitrievska, Mirjana; Wallace, Suzanne K.; Walsh, Aron
2015-04-01
Cu2ZnSnS4 (CZTS) is a promising material for photovoltaic and thermoelectric applications. Issues with quaternary semiconductors include chemical disorder (e.g., Cu-Zn antisites) and disproportionation into secondary phases (e.g., ZnS and Cu2SnS3). To provide a reference for the pure kesterite structure, we report the vibrational spectra—including both infra-red and Raman intensities—from lattice-dynamics calculations using first-principles force constants. Three-phonon interactions are used to estimate phonon lifetimes (spectral linewidths) and thermal conductivity. CZTS exhibits a remarkably low lattice thermal conductivity, competitive with high-performance thermoelectric materials. Transition from the sulfide to selenide (Cu2ZnSnSe4) results in softening of the phonon modes and an increase in phonon lifetimes.
Euser, Tanja; Winsemius, Hessel; Hrachowitz, Markus; Savenije, Hubert
2014-05-01
One of the main questions in hydrological modelling is how to design conceptual rainfall-runoff models with a higher degree of realism. It is expected that if models have a higher degree of realism, their predictive power will increase. One frequently discussed option is the use of more spatial information, which is increasingly available. Information with spatial variability can be found for example for forcing data, elevation, land use, etc. The abundance of spatially variable data requires the modeller to carefully select which data add realism to the model and which data only add complexity. An additional complication is further that the spatial detail required is a function of the time scales of the forcing data and the required output. The amount of spatially variable data available can guide the choice of an adequate distribution level of a model. As it is often difficult to determine the most suitable level of distribution for a certain catchment, this study systematically evaluates the value of incorporating distributed forcing data and distributed model structures in a stepwise approach for the Ourthe catchment (Belgium). The distribution of the model structures is based on landscape heterogeneity, using both elevation data and land use data. Eight different model configurations are tested: a lumped and a distributed model structure, each with lumped and stepwise distributed fluxes and stocks. To stepwise distribute the fluxes and stocks, the distributed forcing data is sequentially kept distributed for each reservoir of the model. To compare the degree of realism of the different configurations, both model performance and consistency are compared. Performance describes the ability of a model configuration to mimic a specific part of the hydrological behaviour in a specific catchment. Consistency describes the ability of a model configuration to adequately reproduce several hydrological signatures simultaneously. FARM (Framework to Assess the Realism of
Income and Consumption: a Micro Semi-Structural Analysis with Pervasive Heterogeneity
DEFF Research Database (Denmark)
Alan, Sule; Browning, Martin; Ejrnæs, Mette
2017-01-01
We develop a model of consumption and income that allows for pervasive heterogeneity in the parameters of both processes. Introducing co-dependence between household income parameters and preference parameters, we also allow for heterogeneity in the impact of income shocks on consumption. We esti...
Hyper-lattice algebraic model for data warehousing
Sen, Soumya; Chaki, Nabendu
2016-01-01
This book presents Hyper-lattice, a new algebraic model for partially ordered sets, and an alternative to lattice. The authors analyze some of the shortcomings of conventional lattice structure and propose a novel algebraic structure in the form of Hyper-lattice to overcome problems with lattice. They establish how Hyper-lattice supports dynamic insertion of elements in a partial order set with a partial hierarchy between the set members. The authors present the characteristics and the different properties, showing how propositions and lemmas formalize Hyper-lattice as a new algebraic structure.
Heterogeneous Structure of Stem Cells Dynamics: Statistical Models and Quantitative Predictions
Bogdan, Paul; Deasy, Bridget M.; Gharaibeh, Burhan; Roehrs, Timo; Marculescu, Radu
2014-01-01
Understanding stem cell (SC) population dynamics is essential for developing models that can be used in basic science and medicine, to aid in predicting cells fate. These models can be used as tools e.g. in studying patho-physiological events at the cellular and tissue level, predicting (mal)functions along the developmental course, and personalized regenerative medicine. Using time-lapsed imaging and statistical tools, we show that the dynamics of SC populations involve a heterogeneous structure consisting of multiple sub-population behaviors. Using non-Gaussian statistical approaches, we identify the co-existence of fast and slow dividing subpopulations, and quiescent cells, in stem cells from three species. The mathematical analysis also shows that, instead of developing independently, SCs exhibit a time-dependent fractal behavior as they interact with each other through molecular and tactile signals. These findings suggest that more sophisticated models of SC dynamics should view SC populations as a collective and avoid the simplifying homogeneity assumption by accounting for the presence of more than one dividing sub-population, and their multi-fractal characteristics. PMID:24769917
Directory of Open Access Journals (Sweden)
Seok-Hyoung Lee
2012-06-01
Full Text Available While science and technology information service portals and heterogeneous databases produced in Korea and other countries are integrated, methods of connecting the unique classification systems applied to each database have been studied. Results of technologists' research, such as, journal articles, patent specifications, and research reports, are organically related to each other. In this case, if the most basic and meaningful classification systems are not connected, it is difficult to achieve interoperability of the information and thus not easy to implement meaningful science technology information services through information convergence. This study aims to address the aforementioned issue by analyzing mapping systems between classification systems in order to design a structure to connect a variety of classification systems used in the academic information database of the Korea Institute of Science and Technology Information, which provides science and technology information portal service. This study also aims to design a mapping system for the classification systems to be applied to actual science and technology information services and information management systems.
Moradi, Saber; Qiao, Ning; Stefanini, Fabio; Indiveri, Giacomo
2018-02-01
Neuromorphic computing systems comprise networks of neurons that use asynchronous events for both computation and communication. This type of representation offers several advantages in terms of bandwidth and power consumption in neuromorphic electronic systems. However, managing the traffic of asynchronous events in large scale systems is a daunting task, both in terms of circuit complexity and memory requirements. Here, we present a novel routing methodology that employs both hierarchical and mesh routing strategies and combines heterogeneous memory structures for minimizing both memory requirements and latency, while maximizing programming flexibility to support a wide range of event-based neural network architectures, through parameter configuration. We validated the proposed scheme in a prototype multicore neuromorphic processor chip that employs hybrid analog/digital circuits for emulating synapse and neuron dynamics together with asynchronous digital circuits for managing the address-event traffic. We present a theoretical analysis of the proposed connectivity scheme, describe the methods and circuits used to implement such scheme, and characterize the prototype chip. Finally, we demonstrate the use of the neuromorphic processor with a convolutional neural network for the real-time classification of visual symbols being flashed to a dynamic vision sensor (DVS) at high speed.
Structural heterogeneity of microporous materials from nitrogen adsorption at 77 K
Directory of Open Access Journals (Sweden)
Gil, A.
2000-08-01
Full Text Available The structural heterogeneity of four microporous materials, namely an alumina pillared clay; an activated carbon and two zeolites, Y-82 and ZSM-5, and of their physical binary mixtures (50-50 wt% has been studied by nitrogen adsorption at 77 K. The Dubinin-Radushkevich (DR and Dubinin-Astakhov (DA equations have been applied to characterize the microporous properties and to obtain the adsorption potential distributions.
La heterogeneidad estructural de cuatro materiales microporosos (una arcilla intercalada con una disolución hidrolizada de aluminio; un carbón activado y dos zeolitas comerciales, Y-82 y ZSM-5, así como sus respectivas mezclas físicas binarias (50- 50 % en peso se analizaron a partir de la adsorción de nitrógeno a la temperatura de 77 K. Las ecuaciones de Dubinin- Radushkevich (DR y de Dubinin-Astakhov (DA se emplearon para caracterizar las propiedades microporosas de estos materiales, así como para obtener las distribuciones de potencial de adsorción.
Limdi, Anurag; Perez-Escudero, Alfonso; Li, Aming; Gore, Jeff
While negative frequency and density dependent selection and population structure are used to explain the evolution of cooperation separately, their combined effect remains unexplored. Here, we consider the effect of heterogeneity of metapopulations linked by migration in a yeast cooperator-defector system. We discover that asymmetric migration on star networks, coupled with density dependent selection, can double the cooperator fraction compared to isolated nodes and fully connected networks. Migration reduces population density on the side nodes which makes star networks more prone to collapse in challenging environments than isolated populations. Unexpectedly, we find that star networks have greater resilience to a temporary salt shock than isolated nodes. This can be reconciled by noting that the level of permanent stress that the network can withstand is influenced by side nodes which are the most vulnerable parts of the network. In contrast, the ability to recover from temporary shocks is defined by the central node (which has a higher density and cooperator fraction than isolated nodes), because it can reseed the side nodes and rescue the whole network. Our findings highlight that ecological communities respond differently to constantly and transiently harsh environments.
Hsiung, Huan-Yi; Huang, Bing-Hong; Chang, Jui-Tse; Huang, Yao-Moan; Huang, Chih-Wei; Liao, Pei-Chun
2017-01-01
Spatial climate heterogeneity may not only affect adaptive gene frequencies but could also indirectly shape the genetic structure of neutral loci by impacting demographic dynamics. In this study, the effect of local climate on population genetic variation was tested in two phylogenetically close Scutellaria species in Taiwan. Scutellaria taipeiensis, which was originally assumed to be an endemic species of Taiwan Island, is shown to be part of the widespread species S. barbata based on the overlapping ranges of genetic variation and climatic niches as well as their morphological similarity. Rejection of the scenario of "early divergence with secondary contact" and the support for multiple origins of populations of S. taipeiensis from S. barbata provide strong evolutionary evidence for a taxonomic revision of the species combination. Further tests of a climatic effect on genetic variation were conducted. Regression analyses show nonlinear correlations among any pair of geographic, climatic, and genetic distances. However, significantly, the bioclimatic variables that represent the precipitation from late summer to early autumn explain roughly 13% of the genetic variation of our sampled populations. These results indicate that spatial differences of precipitation in the typhoon season may influence the regeneration rate and colonization rate of local populations. The periodic typhoon episodes explain the significant but nonlinear influence of climatic variables on population genetic differentiation. Although, the climatic difference does not lead to species divergence, the local climate variability indeed impacts the spatial genetic distribution at the population level.
Ichijo, T; Yamashita, Y; Terashima, T
1993-12-01
In a series of studies to investigate the structural features of the biological crystal, such as the tooth and bone, using an electron microscope, we examined the ultrastructure of the human enamel, dentin, and bone crystals at near atomic resolution and showed the configuration of the hydroxyapatite structure through the cross and longitudinal sections of the enamel, dentin, and bone crystals. Subsequently, based on the results of our observations of the ultrastructure of the tooth and bone crystals, we attempted to clarify the essential structural features and characteristics of the lattice imperfections in the hydroxyapatite structure composing of the human enamel, dentin, and bone crystals from the morphological viewpoint. Therefore, using the same approach, we examined the images of the lattice imperfection of the normal human enamel, dentin, and bone crystals. In this report, following the previous observation of the lattice imperfection on the point defect structure and the dislocations appearing in the inner structure of the crystal, we describe the image of the face defect structure obtained by using the same approach from the sections of the human enamel, dentin, and bone crystals, such as the stacking fault, grain boundary, and others. The materials used for this study were the human enamel, dentin, and bone crystals. The small cubes of the material were fixed in glutaraldehyde and osmium tetroxide and embedded in epoxy resin using the routine methods. The ultrathin sections were cut with a diamond knife without decalcification. The sections were examined with the HITACHI H-800 H and H-9000 type transmission electron microscopes operated at 200 kV and 300 kV respectively. Each crystal was observed at an initial magnification of 300,000 times and at a final magnification of 10,000,000 times and over. We sincerely believe that the electron micrographs shown in this report are the first to show the images of the lattice imperfections from the sections
Directory of Open Access Journals (Sweden)
Yu. Kobzar
2013-01-01
Full Text Available The paper presents an application experience of composite materials with macro-hetero-geneous structure for normalization of thermo-mechanical state of steam turbines. It has been shown that the developed repairing technology with application of composite materials with macro-heterogeneous structure makes it possible to ensure thermo-mechanical state of steam turbines after their reconstruction at the level of newly assembled ones.
Evolution of rheologically heterogeneous salt structures: a case study from the NE Netherlands
Raith, A. F.; Strozyk, F.; Visser, J.; Urai, J. L.
2016-01-01
The growth of salt structures is controlled by the low flow strength of evaporites and by the tectonic boundary conditions. The potassium-magnesium salts (K-Mg salts) carnallite and bischofite are prime examples of layers with much lower effective viscosity than halite: their low viscosity presents serious drilling hazards but also allows squeeze solution mining. In contrast, intrasalt anhydrite and carbonate layers (stringers) are much stronger than halite. These rheological contrasts within an evaporite body have an important control on the evolution of the internal structure of salt, but how this mechanical layering affects salt deformation at different scales is not well known. In this study, we use high-resolution 3-D seismic and well data to study the evolution of the Veendam and Slochteren salt pillows at the southern boundary of the Groningen High, northern Netherlands. Here the rock salt layers contain both the mechanically stronger Zechstein III Anhydrite-Carbonate stringer and the weaker K-Mg salts, thus we are able to assess the role of extreme rheological heterogeneities on salt structure growth. The internal structure of the two salt pillows shows areas in which the K-Mg salt-rich ZIII 1b layer is much thicker than elsewhere, in combination with a complexly ruptured and folded ZIII Anhydrite-Carbonate stringer. Thickness maps of supra-salt sediments and well data are used to infer the initial depositional architecture of the K-Mg salts and their deformation history. Results suggest that faulting and the generation of depressions on the top Zechstein surface above a Rotliegend graben caused the local accumulation of bittern brines and precipitation of thick K-Mg salts. During the first phase of salt flow and withdrawal from the Veendam area, under the influence of differential loading by Buntsandstein sediments, the ZIII stringer was boudinaged while the lens of Mg salts remained relatively undeformed. This was followed by a convergence stage, when the
Directory of Open Access Journals (Sweden)
H. Shi
2017-01-01
Full Text Available Tight sand gas plays an important role in the supply of natural gas production. It has significance for predicting sweet spots to recognize the characteristics and forming of heterogeneity in tight sandstone carrier beds. Heterogeneity responsible for spatial structure, such as the combination and distribution of relatively homogeneous rock layers, is basically established by deposition and eodiagenesis that collectively affect the mesogenesis. We have investigated the structural heterogeneity units by petrofacies in tight sandstone carrier beds of Dibei, eastern Kuqa Depression, according to core, logging, and micropetrology. There are four types of main petrofacies, that is, tight compacted, tight carbonate-cemented, gas-bearing, and water-bearing sandstones. The brine-rock-hydrocarbon diagenesis changes of different heterogeneity structural units have been determined according to the pore bitumen, hydrocarbon inclusions, and quantitative grain fluorescence. Ductile grains or eogenetic calcite cements destroy the reservoir quality of tight compacted or tight carbonate-cemented sandstones. Rigid grains can resist mechanical compaction and oil emplacement before gas charging can inhibit diagenesis to preserve reservoir property of other sandstones. We propose that there is an inheritance relationship between the late gas and early oil migration pathways, which implies that the sweet spots develop in the reservoirs that experienced early oil emplacement.
Directory of Open Access Journals (Sweden)
A. Colantoni
2014-01-01
Full Text Available CuxAg1−xInS2 solid thin films were fabricated through a low-cost process. Particular process-related enhanced properties lead to reaching a minimum of lattice mismatch between absorber and buffer layers within particular solar cell devices. First, copper-less samples X-ray diffraction analysis depicts the presence of AgInS2 ternary compound in chalcopyrite tetragonal phase with privileged (112 peak (d112=1.70 Å according to JCPDS 75-0118 card. Second, when x content increases, we note a shift of the same preferential orientation (112 and its value reaches 1.63 Å corresponding to CuInS2 chalcopyrite tetragonal material according to JCPDS 89-6095 file. Finally, the formation and stability of these quaternaries have been discussed in terms of the lattice compatibility in relation with silver-copper duality within indium disulfide lattice structure. Plausible explanations for the extent and dynamics of copper incorporation inside AgInS2 elaborated ternary matrices have been proposed.
Stelmakh, S.; Skrobas, K.; Gierlotka, S.; Palosz, B.
2017-05-01
The results of molecular dynamics (MD) simulations of CdSe crystals terminated by low-index atomic planes, (100), (110) and (111), are presented. The effect of the crystal termination on the atomic arrangement (interatomic distances) at the surface and underneath the surface is examined. It is shown that the crystal lattice is distorted in lateral and normal directions to the depth of up to about 2 nm from the surface. The exact characteristic of the changes of interatomic distances is specific to the type of the atomic plane terminating the crystal lattice. At some surfaces, the very last monoatomic layer loses the long-range ordering and becomes quasi amorphous. The atoms group into randomly distributed pairs or short linear groups.
Vanbergen, Adam J; Watt, Allan D; Mitchell, Ruth; Truscott, Anne-Marie; Palmer, Stephen C F; Ivits, Eva; Eggleton, Paul; Jones, T Hefin; Sousa, José Paulo
2007-09-01
Habitat heterogeneity contributes to the maintenance of diversity, but the extent that landscape-scale rather than local-scale heterogeneity influences the diversity of soil invertebrates-species with small range sizes-is less clear. Using a Scottish habitat heterogeneity gradient we correlated Collembola and lumbricid worm species richness and abundance with different elements (forest cover, habitat richness and patchiness) and qualities (plant species richness, soil variables) of habitat heterogeneity, at landscape (1 km(2)) and local (up to 200 m(2)) scales. Soil fauna assemblages showed considerable turnover in species composition along this habitat heterogeneity gradient. Soil fauna species richness and turnover was greatest in landscapes that were a mosaic of habitats. Soil fauna diversity was hump-shaped along a gradient of forest cover, peaking where there was a mixture of forest and open habitats in the landscape. Landscape-scale habitat richness was positively correlated with lumbricid diversity, while Collembola and lumbricid abundances were negatively and positively related to landscape spatial patchiness. Furthermore, soil fauna diversity was positively correlated with plant diversity, which in turn peaked in the sites that were a mosaic of forest and open habitat patches. There was less evidence that local-scale habitat variables (habitat richness, tree cover, plant species richness, litter cover, soil pH, depth of organic horizon) affected soil fauna diversity: Collembola diversity was independent of all these measures, while lumbricid diversity positively and negatively correlated with vascular plant species richness and tree canopy density. Landscape-scale habitat heterogeneity affects soil diversity regardless of taxon, while the influence of habitat heterogeneity at local scales is dependent on taxon identity, and hence ecological traits, e.g. body size. Landscape-scale habitat heterogeneity by providing different niches and refuges, together
Sibileau, Alberto; Auricchio, Ferdinando; Morganti, Simone; Díez, Pedro
2018-01-01
Architectured materials (or metamaterials) are constituted by a unit-cell with a complex structural design repeated periodically forming a bulk material with emergent mechanical properties. One may obtain specific macro-scale (or bulk) properties in the resulting architectured material by properly designing the unit-cell. Typically, this is stated as an optimal design problem in which the parameters describing the shape and mechanical properties of the unit-cell are selected in order to produce the desired bulk characteristics. This is especially pertinent due to the ease manufacturing of these complex structures with 3D printers. The proper generalized decomposition provides explicit parametic solutions of parametric PDEs. Here, the same ideas are used to obtain parametric solutions of the algebraic equations arising from lattice structural models. Once the explicit parametric solution is available, the optimal design problem is a simple post-process. The same strategy is applied in the numerical illustrations, first to a unit-cell (and then homogenized with periodicity conditions), and in a second phase to the complete structure of a lattice material specimen.
Energy Technology Data Exchange (ETDEWEB)
DeGrand, T. [Univ. of Colorado, Boulder, CO (United States). Dept. of Physics
1997-06-01
These lectures provide an introduction to lattice methods for nonperturbative studies of Quantum Chromodynamics. Lecture 1: Basic techniques for QCD and results for hadron spectroscopy using the simplest discretizations; lecture 2: Improved actions--what they are and how well they work; lecture 3: SLAC physics from the lattice-structure functions, the mass of the glueball, heavy quarks and {alpha}{sub s} (M{sub z}), and B-{anti B} mixing. 67 refs., 36 figs.
Al-Khulaifi, Yousef; Lin, Qingyang; Blunt, Martin J; Bijeljic, Branko
2017-04-04
We study dissolution in a chemically heterogeneous medium consisting of two minerals with contrasting initial structure and transport properties. We perform a reactive transport experiment using CO 2 -saturated brine at reservoir conditions in a millimeter-scale composite core composed of Silurian dolomite and Ketton limestone (calcite) arranged in series. We repeatedly image the composite core using X-ray microtomography (XMT) and collect effluent to assess the individual mineral dissolution. The mineral dissolution from image analysis was comparable to that measured from effluent analysis using inductively coupled plasma mass spectrometry (ICP-MS). We find that the ratio of the effective reaction rate of calcite to that of dolomite decreases with time, indicating the influence of dynamic transport effects originating from changes in pore structure coupled with differences in intrinsic reaction rates. Moreover, evolving flow and transport heterogeneity in the initially heterogeneous dolomite is a key determinant in producing a two-stage dissolution in the calcite. The first stage is characterized by a uniform dissolution of the pore space, while the second stage follows a single-channel growth regime. This implies that spatial memory effects in the medium with a heterogeneous flow characteristic (dolomite) can change the dissolution patterns in the medium with a homogeneous flow characteristic (calcite).
Congruence amalgamation of lattices
Grätzer, G; Wehrung, F; Gr\\"{a}tzer, George; Lakser, Harry; Wehrung, Friedrich
2000-01-01
J. Tuma proved an interesting "congruence amalgamation" result. We are generalizing and providing an alternate proof for it. We then provide applications of this result: --A.P. Huhn proved that every distributive algebraic lattice $D$ with at most $\\aleph\\_1$ compact elements can be represented as the congruence lattice of a lattice $L$. We show that $L$ can be constructed as a locally finite relatively complemented lattice with zero. --We find a large class of lattices, the $\\omega$-congruence-finite lattices, that contains all locally finite countable lattices, in which every lattice has a relatively complemented congruence-preserving extension.
Energy Technology Data Exchange (ETDEWEB)
Calamiotou, M., E-mail: mcalam@phys.uoa.gr [Solid State Physics Department, Faculty of Physics, National and Kapodistrian University of Athens, GR-15784 Athens (Greece); Liarokapis, E. [Department of Physics, National Technical University of Athens, GR15780, Athens (Greece)
2017-01-15
Highlights: • A reply to comment by A. Martinelli (PHYSC-D-15-00255) on: “Local lattice distortions vs. structural phase transition in NdFeAsO{sub 1-x}F{sub x}” is presented. • The main conclusions drawn in the commented paper are based on the distinct different temperature evolution for T < 150 K among the superconducting and non-superconducting NdFeAsO{sub 1-x}F{sub x} compounds of both, atomic displacement parameters and Raman mode widths, rather than only on line broadening analysis or the detection of any symmetry breaking in the Raman spectra.
Mo, Yike; Greenhalgh, Stewart A.; Robertsson, Johan O. A.; Karaman, Hakki
2015-05-01
Lateral velocity variations and low velocity near-surface layers can produce strong scattered and guided waves which interfere with reflections and lead to severe imaging problems in seismic exploration. In order to investigate these specific problems by laboratory seismic modelling, a simple 2D ultrasonic model facility has been recently assembled within the Wave Propagation Lab at ETH Zurich. The simulated geological structures are constructed from 2 mm thick metal and plastic sheets, cut and bonded together. The experiments entail the use of a piezoelectric source driven by a pulse amplifier at ultrasonic frequencies to generate Lamb waves in the plate, which are detected by piezoelectric receivers and recorded digitally on a National Instruments recording system, under LabVIEW software control. The 2D models employed were constructed in-house in full recognition of the similitude relations. The first heterogeneous model features a flat uniform low velocity near-surface layer and deeper dipping and flat interfaces separating different materials. The second model is comparable but also incorporates two rectangular shaped inserts, one of low velocity, the other of high velocity. The third model is identical to the second other than it has an irregular low velocity surface layer of variable thickness. Reflection as well as transmission experiments (crosshole & vertical seismic profiling) were performed on each model. The two dominant Lamb waves recorded are the fundamental symmetric mode (non-dispersive) and the fundamental antisymmetric (flexural) dispersive mode, the latter normally being absent when the source transducer is located on a model edge but dominant when it is on the flat planar surface of the plate. Experimental group and phase velocity dispersion curves were determined and plotted for both modes in a uniform aluminium plate. For the reflection seismic data, various processing techniques were applied, as far as pre-stack Kirchhoff migration. The
Fermions on the low-buckled honey-comb structured lattice plane and classical Casimir-Polder force
Goswami, Partha
2016-05-01
We start with the well-known expression for the vacuum polarization and suitably modify it for 2+1-dimensional spin-orbit coupled (SOC) fermions on the low-buckled honey-comb structured lattice plane described by the low-energy Liu-Yao-Feng-Ezawa (LYFE) model Hamiltonian involving the Dirac matrices in the chiral representation obeying the Clifford algebra. The silicene and germanene fit this description suitably. They have the Dirac cones similar to those of graphene and SOC is much stronger. The system could be normal or ferromagnetic in nature. The silicene turns into the latter type if there is exchange field arising due to the proximity coupling to a ferromagnet (FM) such as depositing Fe atoms to the silicene surface. For the silicene, we find that the many-body effects considerably change the bare Coulomb potential by way of the dependence of the Coulomb propagator on the real-spin, iso-spin and the potential due to an electric field applied perpendicular to the silicene plane. The computation aspect of the Casimir-Polder force (CPF) needs to be investigated in this paper. An important quantity in this process is the dielectric response function (DRF) of the material. The plasmon branch was obtained by finding the zeros of DRF in the long-wavelength limit. This leads to the plasmon frequencies. We find that the collective charge excitations at zero doping, i.e., intrinsic plasmons, in this system, are absent in the Dirac limit. The valley-spin-split intrinsic plasmons, however, come into being in the case of the massive Dirac particles with characteristic frequency close to 10 THz. Our scheme to calculate the Casimir-Polder interaction (CPI) of a micro-particle with a sheet involves replacing the dielectric constant of the sample in the CPI expression obtained on the basis of the Lifshitz theory by the static DRF obtained using the expressions for the polarization function we started with. Though the approach replaces a macroscopic constant by a microscopic
Lattices of dielectric resonators
Trubin, Alexander
2016-01-01
This book provides the analytical theory of complex systems composed of a large number of high-Q dielectric resonators. Spherical and cylindrical dielectric resonators with inferior and also whispering gallery oscillations allocated in various lattices are considered. A new approach to S-matrix parameter calculations based on perturbation theory of Maxwell equations, developed for a number of high-Q dielectric bodies, is introduced. All physical relationships are obtained in analytical form and are suitable for further computations. Essential attention is given to a new unified formalism of the description of scattering processes. The general scattering task for coupled eigen oscillations of the whole system of dielectric resonators is described. The equations for the expansion coefficients are explained in an applicable way. The temporal Green functions for the dielectric resonator are presented. The scattering process of short pulses in dielectric filter structures, dielectric antennas and lattices of d...
Directory of Open Access Journals (Sweden)
Robitaille P.-M.
2013-04-01
Full Text Available Invocation of a liquid metallic hydrogen model (Robitaille P.M. Liquid Metallic Hydro- gen: A Building Block for the Liquid Sun. Progr. Phys ., 2011, v. 3, 60–74; Robitaille P.M. Liquid Metallic Hydrogen II: A Critical Assessment of Current and Primordial He- lium Levels in Sun. Progr. Phys ., 2013, v. 2, 35–47 brings with it a set of advantages for understanding solar physics which will always remain unavailable to the gaseous models. Liquids characteristically act as solvents and incorporate solutes within their often fleeting structural matrix. They possess widely varying solubility products and often reject the solute altogether. In that case, the solute becomes immiscible. “Lattice exclusion” can be invoked for atoms which attempt to incorporate themselves into liquid metallic hydrogen. In order to conserve the integrity of its conduction bands, it is antic- ipated that a graphite-like metallic hydrogen lattice should not permit incorporation of other elements into its in-plane hexagonal hydrogen framework. Based on the physics observed in the intercalation compounds of graphite, non-hydrogen atoms within liq- uid metallic hydrogen could reside between adjacent hexagonal proton planes. Conse- quently, the forces associated with solubility products and associated lattice exclusion envisioned in liquid metallic hydrogen for solutes would restrict gravitational settling. The hexagonal metallic hydrogen layered lattice could provide a powerful driving force for excluding heavier elements from the solar body. Herein lies a new exfoliative force to drive both surface activity (flares, coronal mass ejections, prominences and solar winds with serious consequences relative to the p–p reaction and CNO cycle in the Sun. At the same time, the idea that non-hydrogen atomic nuclei can exist between layers of metallic hydrogen leads to a fascinating array of possibilities with respect to nucleosyn- thesis. Powerful parallels can be drawn to the
Energy Technology Data Exchange (ETDEWEB)
Kim, Leonard, E-mail: kimlh@umdnj.edu [Department of Radiation Oncology, Cancer Institute of New Jersey, Robert Wood Johnson Medical School, University of Medicine and Dentistry of New Jersey, New Brunswick, NJ (United States); Narra, Venkat; Yue, Ning [Department of Radiation Oncology, Cancer Institute of New Jersey, Robert Wood Johnson Medical School, University of Medicine and Dentistry of New Jersey, New Brunswick, NJ (United States)
2013-07-01
Recent studies have reported potentially clinically meaningful dose differences when heterogeneity correction is used in breast balloon brachytherapy. In this study, we report on the relationship between heterogeneity-corrected and -uncorrected doses for 2 commonly used plan evaluation metrics: maximum point dose to skin surface and maximum point dose to ribs. Maximum point doses to skin surface and ribs were calculated using TG-43 and Varian Acuros for 20 patients treated with breast balloon brachytherapy. The results were plotted against each other and fit with a zero-intercept line. Max skin dose (Acuros) = max skin dose (TG-43) ⁎ 0.930 (R{sup 2} = 0.995). The average magnitude of difference from this relationship was 1.1% (max 2.8%). Max rib dose (Acuros) = max rib dose (TG-43) ⁎ 0.955 (R{sup 2} = 0.9995). The average magnitude of difference from this relationship was 0.7% (max 1.6%). Heterogeneity-corrected maximum point doses to the skin surface and ribs were proportional to TG-43-calculated doses. The average deviation from proportionality was 1%. The proportional relationship suggests that a different metric other than maximum point dose may be needed to obtain a clinical advantage from heterogeneity correction. Alternatively, if maximum point dose continues to be used in recommended limits while incorporating heterogeneity correction, institutions without this capability may be able to accurately estimate these doses by use of a scaling factor.
Kim, Leonard; Narra, Venkat; Yue, Ning
2013-01-01
Recent studies have reported potentially clinically meaningful dose differences when heterogeneity correction is used in breast balloon brachytherapy. In this study, we report on the relationship between heterogeneity-corrected and -uncorrected doses for 2 commonly used plan evaluation metrics: maximum point dose to skin surface and maximum point dose to ribs. Maximum point doses to skin surface and ribs were calculated using TG-43 and Varian Acuros for 20 patients treated with breast balloon brachytherapy. The results were plotted against each other and fit with a zero-intercept line. Max skin dose (Acuros) = max skin dose (TG-43) * 0.930 (R(2) = 0.995). The average magnitude of difference from this relationship was 1.1% (max 2.8%). Max rib dose (Acuros) = max rib dose (TG-43) * 0.955 (R(2) = 0.9995). The average magnitude of difference from this relationship was 0.7% (max 1.6%). Heterogeneity-corrected maximum point doses to the skin surface and ribs were proportional to TG-43-calculated doses. The average deviation from proportionality was 1%. The proportional relationship suggests that a different metric other than maximum point dose may be needed to obtain a clinical advantage from heterogeneity correction. Alternatively, if maximum point dose continues to be used in recommended limits while incorporating heterogeneity correction, institutions without this capability may be able to accurately estimate these doses by use of a scaling factor. Copyright © 2013 American Association of Medical Dosimetrists. Published by Elsevier Inc. All rights reserved.
Directory of Open Access Journals (Sweden)
Hui Wei
2009-09-01
Full Text Available Bacteriophage phi12 is a member of the Cystoviridae, a unique group of lipid containing membrane enveloped bacteriophages that infect the bacterial plant pathogen Pseudomonas syringae pv. phaseolicola. The genomes of the virus species contain three double-stranded (dsRNA segments, and the virus capsid itself is organized in multiple protein shells. The segmented dsRNA genome, the multi-layered arrangement of the capsid and the overall viral replication scheme make the Cystoviridae similar to the Reoviridae.We present structural studies of cystovirus phi12 obtained using cryo-electron microscopy and image processing techniques. We have collected images of isolated phi12 virions and generated reconstructions of both the entire particles and the polymerase complex (PC. We find that in the nucleocapsid (NC, the phi12 P8 protein is organized on an incomplete T = 13 icosahedral lattice where the symmetry axes of the T = 13 layer and the enclosed T = 1 layer of the PC superpose. This is the same general protein-component organization found in phi6 NC's but the detailed structure of the entire phi12 P8 layer is distinct from that found in the best classified cystovirus species phi6. In the reconstruction of the NC, the P8 layer includes protein density surrounding the hexamers of P4 that sit at the 5-fold vertices of the icosahedral lattice. We believe these novel features correspond to dimers of protein P7.In conclusion, we have determined that the phi12 NC surface is composed of an incomplete T = 13 P8 layer forming a net-like configuration. The significance of this finding in regard to cystovirus assembly is that vacancies in the lattice could have the potential to accommodate additional viral proteins that are required for RNA packaging and synthesis.
Lattices for the lattice Boltzmann method.
Chikatamarla, Shyam S; Karlin, Iliya V
2009-04-01
A recently introduced theory of higher-order lattice Boltzmann models [Chikatamarla and Karlin, Phys. Rev. Lett. 97, 190601 (2006)] is elaborated in detail. A general theory of the construction of lattice Boltzmann models as an approximation to the Boltzmann equation is presented. New lattices are found in all three dimensions and are classified according to their accuracy (degree of approximation of the Boltzmann equation). The numerical stability of these lattices is argued based on the entropy principle. The efficiency and accuracy of many new lattices are demonstrated via simulations in all three dimensions.
Ichijo, T; Yamashita, Y; Terashima, T
1993-09-01
In a series of studies to investigate the basic structural features and characteristics of the biological apatite crystals, using an electron microscope, we examined the ultrastructure of the human enamel, dentin, and bone crystals at near atomic resolution and showed the configuration of the hydroxyapatite structure through the cross and longitudinal sections of the crystals. Subsequently, based on the results of the observations by the authors of the ultrastructure of the tooth and bone, using the same approach, we have been able to directly examine the images of the lattice imperfections in the human enamel, dentin, and bone crystals, such as the point defect structures and dislocations in the crystals. In this report, we describe the image of the point defect structures and line defect structures obtained, using the same approach from the sections of the human enamel, dentin, and bone crystals. The materials used for this study were the noncarious enamel and dentin from the freshly extracted human erupted lower first molars, and bone tissue obtained from the alveolar compact bone. The small cubes of the material were fixed in glutaraldehyde and osmium tetroxide and embedded in epoxy resin using the routine methods. The ultrathin sections were cut with a diamond knife without decalcification. The sections were examined with the HITACHI H-800 H and H-9000 types of transmission electron microscopes operated at 200 kV and 300 kV. Each crystal was observed at the initial magnification of 300,000-500,000 times and at the final magnification of 10,000,000 times and over. We sincerely believe that the electron micrographs shown in this report are the first to show the images of the lattice imperfections in the human enamel, dentin, and bone crystals, such as the point defect and line defect structures, at near atomic resolution.
Graphene on graphene antidot lattices
DEFF Research Database (Denmark)
Gregersen, Søren Schou; Pedersen, Jesper Goor; Power, Stephen
2015-01-01
Graphene bilayer systems are known to exhibit a band gap when the layer symmetry is broken by applying a perpendicular electric field. The resulting band structure resembles that of a conventional semiconductor with a parabolic dispersion. Here, we introduce a bilayer graphene heterostructure......, where single-layer graphene is placed on top of another layer of graphene with a regular lattice of antidots. We dub this class of graphene systems GOAL: graphene on graphene antidot lattice. By varying the structure geometry, band-structure engineering can be performed to obtain linearly dispersing...
Energy Technology Data Exchange (ETDEWEB)
Yoon, Hongkyu [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Geomechanics Dept.
2017-09-01
The purpose of the project was to perform multiscale characterization of low permeability rocks to determine the effect of physical and chemical heterogeneity on the poromechanical and flow responses of shales and carbonate rocks with a broad range of physical and chemical heterogeneity . An integrated multiscale imaging of shale and carbonate rocks from nanometer to centimeter scales include s dual focused ion beam - scanning electron microscopy (FIB - SEM) , micro computed tomography (micro - CT) , optical and confocal microscopy, and 2D and 3D energy dispersive spectroscopy (EDS). In addition, mineralogical mapping and backscattered imaging with nanoindentation testing advanced the quantitative evaluat ion of the relationship between material heterogeneity and mechanical behavior. T he spatial distribution of compositional heterogeneity, anisotropic bedding patterns, and mechanical anisotropy were employed as inputs for brittle fracture simulations using a phase field model . Comparison of experimental and numerical simulations reveal ed that proper incorporation of additional material information, such as bedding layer thickness and other geometrical attributes of the microstructures, can yield improvements on the numerical prediction of the mesoscale fracture patterns and hence the macroscopic effective toughness. Overall, a comprehensive framework to evaluate the relationship between mechanical response and micro-lithofacial features can allow us to make more accurate prediction of reservoir performance by developing a multi - scale understanding of poromechanical response to coupled chemical and mechanical interactions for subsurface energy related activities.
Miller, Peter David
The modulational behavior of exact oscillatory solutions to a family of non-linear systems of coupled differential equations is studied both numerically and analytically. The family of lattice systems investigated has applications ranging from theoretical biology to numerical methods. The goal is to obtain a description, given by a system of partial differential equations valid on long spatial and temporal scales, of the microscopic vibrations in the lattice. A theory of simple harmonic plane wave modulation is given for the entire family of microscopic systems, and the structure of the corresponding modulation equations is analyzed; particular utility is gained by casting the modulation equations in Riemann invariant form. Although difficulties are encountered in extending this theory to more complicated oscillatory modes in general, the special case of the integrable Ablowitz-Ladik system allows the program of describing more complicated modulated oscillations to be carried out virtually to completion. An infinite hierarchy of multiphase wavetrain solutions to these equations is obtained exactly using methods of algebraic geometry, and the complete set of equations describing the modulational behavior of each kind of multiphase wavetrain is written down using the same machinery. The distinguishing features of modulation theory in the presence of resonance are described, and an unusual set of modulation equations is derived in this case. The results of this dissertation can be interpreted in the context of nonequilibrium thermodynamics of regular oscillations in nonlinear lattices; instabilities in the modulation equations correspond to predictable phase transitions.
Shi, Chenyang
Structure and dynamics lie at the heart of the materials science. A detailed knowledge of both subjects would be foundational in understanding the materials' properties and predicting their potential applications. However, the task becomes increasingly dicult as the particle size is reduced to the nanometer scale. For nanostructured materials their laboratory x-ray scattering patterns are overlapped and broadened, making structure determination impossible. Atomic pair distribution function technique based on either synchrotron x-ray or neutron scattering data is known as the tool of choice for probing local structures. However, to solve the "structure problem" in low-dimensional materials with PDF is still challenging. For example for 2D materials of interest in this thesis the crystallographic modeling approach often yields unphysical thermal factors along stacking direction where new chemical intuitions about their actual structures and new modeling methodology/program are needed. Beyond this, lattice dynamical investigations on nanosized particles are extremely dicult. Laboratory tools such as Raman and infra-red only probe phonons at Brillouin zone center. Although in literature there are a great number of theoretical studies of their vibrational properties based on either empirical force elds or density functional theory, various approximations made in theories make the theoretical predictions less reliable. Also, there lacks the direct experiment result to validate the theory against. In this thesis, we studied the structure and dynamics of a wide variety of technologically relevant low-dimensional materials through synchrotron based x-ray PDF and high energy resolution inelastic x-ray scattering (HERIX) techniques. By collecting PDF data and employing advanced modeling program such as DiPy-CMI, we successfully determined the atomic structures of (i) emerging Ti3C2, Nb4C3 MXenes (transition metal carbides and/or nitrides) that are promising for energy storage
Henry, Teague; Gesell, Sabina B; Ip, Edward H
2016-09-01
Social networks influence children and adolescents' physical activity. The focus of this paper is to examine the differences in the effects of physical activity on friendship selection, with eye to the implications on physical activity interventions for young children. Network interventions to increase physical activity are warranted but have not been conducted. Prior to implementing a network intervention in the field, it is important to understand potential heterogeneities in the effects that activity level have on network structure. In this study, the associations between activity level and cross sectional network structure, and activity level and change in network structure are assessed. We studied a real-world friendship network among 81 children (average age 7.96 years) who lived in low SES neighborhoods, attended public schools, and attended one of two structured aftercare programs, of which one has existed and the other was new. We used the exponential random graph model (ERGMs) and its longitudinal extension to evaluate the association between activity level and various demographic factors in having, forming, and dissolving friendship. Due to heterogeneity between the friendship networks within the aftercare programs, separate analyses were conducted for each network. There was heterogeneity in the effect of physical activity on both cross sectional network structure and the formation and dissolution processes, both across time and between networks. Network analysis could be used to assess the unique structure and dynamics of a social network before an intervention is implemented, so as to optimize the effects of the network intervention for increasing childhood physical activity. Additionally, if peer selection processes are changing within a network, a static network intervention strategy for childhood physical activity could become inefficient as the network evolves.
Persistent superconductor currents in holographic lattices.
Iizuka, Norihiro; Ishibashi, Akihiro; Maeda, Kengo
2014-07-04
We consider a persistent superconductor current along the direction with no translational symmetry in a holographic gravity model. Incorporating a lattice structure into the model, we numerically construct novel solutions of hairy charged stationary black branes with momentum or rotation along the latticed direction. The lattice structure prevents the horizon from rotating, and the total momentum is only carried by matter fields outside the black brane horizon. This is consistent with the black hole rigidity theorem, and it suggests that in dual field theory with lattices, superconductor currents are made up of "composite" fields, rather than "fractionalized" degrees of freedom. We also show that our solutions are consistent with the superfluid hydrodynamics.
Structure and Heterogeneous Deformation in the 1989-90 Loma Prieta Aftershock Sequence
Twiss, R. J.; Unruh, J. R.
2002-12-01
The 1989 Loma Prieta earthquake occurred on a blind, southwest-dipping fault zone beneath the Santa Cruz mountains in northern California. We divided the aftershock sequence into 17 spatially identifiable clusters of events and subdivided the clusters into a total of 33 subsets by requiring deformational homogeneity of the subsets. We inverted focal mechanisms using a micropolar kinematic model (Twiss et al. 1991, 1993) to evaluate the deformation and its distribution, and we examined the spatial distributions of hypocenters to infer details of the local structure. Our results show the following: The deformation is dominated by a combination of near-horizontal plane strain and crustal thickening, with the maximum contraction rate axis (d3) subhorizontal NNE, and the maximum extension rate axis (d1) either subhorizontal ESE or subvertical, although a number of solutions occur with one or both principal axes having a moderate plunge. Aftershocks below a transition depth of 4 - 6 km define three planar segments of the fault forming a sigmoidal contractional bend in the fault zone, consistent with the youthful, high topography of this region. The southern segment is nearly parallel to the local Pacific-Sierra Nevada plate motion vector, and the central, and to a lesser extent the northern, segments are in a contractional orientation. The inversion solutions are consistent, giving in general a higher vertical component of deformation and a larger reverse component of resolved shear on the fault for fault segments in a more contractional orientation. Above the transition depth, aftershocks are less well aligned along the three fault zone segments. Generally they define structures in a more contractional orientation relative to the plate motion vector, and they dominantly accommodate a crustal thickening deformation. Deformation inferred from the inversion solutions is locally heterogeneous, with events associated with different deformation geometries commonly intermixed
Directory of Open Access Journals (Sweden)
Syed Waqar Hasan
2013-01-01
Full Text Available We herein report the electronic and thermal transport properties of p-type Bi0.5Sb1.5Te3 polycrystalline bulks with dense pore structure. Dense pore structure was fabricated by vaporization of residual Te during the pressureless annealing of spark plasma sintered bulks of Te coated Bi0.5Sb1.5Te3 powders. The lattice thermal conductivity was effectively reduced to the value of 0.35 W m−1 K−1 at 300 K mainly due to the phonon scattering by pores, while the power factor was not significantly affected. An enhanced ZT of 1.24 at 300 K was obtained in spark plasma sintered and annealed bulks of 3 wt.% Te coated Bi0.5Sb1.5Te3 by these synergetic effects.
Farmahini, Amir H; Shahtalebi, Ali; Jobic, Hervé; Bhatia, Suresh K
2014-06-05
We investigate the influence of structural heterogeneity on the transport properties of simple gases in a Hybrid Reverse Monte Carlo (HRMC) constructed model of silicon carbide-derived carbon (SiC-DC). The energy landscape of the system is determined based on free energy analysis of the atomistic model. The overall energy barriers of the system for different gases are computed along with important properties, such as Henry constant and differential enthalpy of adsorption at infinite dilution, and indicate hydrophobicity of the SiC-DC structure and its affinity for CO2 and CH4 adsorption. We also study the effect of molecular geometry, pore structure and energy heterogeneity considering different hopping scenarios for diffusion of CO2 and CH4 through ultramicropores using the Nudged Elastic Band (NEB) method. It is shown that the energy barrier of a hopping molecule is very sensitive to the shape of the pore entry. We provide evidence for the influence of structural heterogeneity on self-diffusivity of methane and carbon dioxide using molecular dynamics simulation, based on a maximum in the variation of self-diffusivity with loading. A comparison of the MD simulation results with self-diffusivities from quasi-elastic neutron scattering (QENS) measurements and, with macroscopic uptake-based low-density transport coefficients, reveals the existence of internal barriers not captured in MD simulation and QENS experiments. Nevertheless, the simulation and macroscopic uptake-based diffusion coefficients agree within a factor of 2-3, indicating that our HRMC model structure captures most of the important energy barriers affecting the transport of CH4 in the nanostructure of SiC-DC.
Meso-design of heterogeneous dielectric material systems: Structure property relationships
Directory of Open Access Journals (Sweden)
Jeffrey Baker
2014-04-01
Full Text Available Heterogeneous materials are inherently dielectric, and charge distribution and transport in such materials involves complex local fields and polarizations that are remarkably sensitive to morphology and the interaction of conduction and permittivity. Trial and error design of such material systems is time consuming and expensive, and often ineffectual. However, heterogeneous materials are essential for energy conversion and storage, and they have become the foundation for major advances in the performance of devices such as batteries, fuel cells, separation membranes, and solar cells. The present paper presents some relationships in support of rational design based on an extensive experimental validation of the concepts and analysis that form a foundation for that design. Salient results include the prediction and confirmation of volume fraction effects (including nondilute mixtures, and the prediction and direct measurement of surface charge effects at internal interfaces as a function of constituent morphology and orientation.
Energy Technology Data Exchange (ETDEWEB)
Mimouni, R.; Boubaker, K., E-mail: mmbb11112000@yahoo.fr; Amlouk, M.
2015-03-05
Highlights: • Co/Cr co-doped ZnO thin films were synthesized by a low-cost spray technique. • Optical and morphological properties of the Co/Cr co-doped ZnO system were described. • Lattice Compatibility Theory explains Co preferential incorporation in ZnO lattice. - Abstract: (Co,Cr)-codoped zinc oxide thin films (ZnO:Cr:Co) at different percentages (0%, 1–1%, 1–2%, 2–1%) were deposited on glass substrates using a chemical low-cost spray technique. The effect of Cr and Co concentration on the structural, morphological and optical properties of the ZnO:Cr:Co thin films were investigated by means of X-ray diffraction, optical measurement, contact Atomic Force Microscopy (AFM), and Photoluminescence spectroscopy. The results revealed that all films consist of single phase ZnO and were well crystallized in würtzite phase with the crystallites preferentially oriented towards (0 0 2) direction parallel to c-axis. Also, the co-doping has effective role in the enhancement of the crystallinity and leads to an improvement of roughness of the ZnO films. Doping by chrome and cobalt resulted in a slight decrease in the optical band gap energy of the films. The optical band gap of these films is calculated. The optical absorption spectra show that the absorption mechanism is a direct transition. The UV peak positions for ZnO:Cr:Co samples slightly red shift to the longer wavelength in comparison with the pure ZnO which can be attributed to the change in the acceptor level induced by the substitutional Co{sup 2+} and Cr{sup 3+} and the band-gap narrowing of ZnO with the Cr and Co dopants. The Lattice Compatibility Theory analyses have been applied in order to give original, plausible and founded explanation to the recorded preferential incorporation of cobalt ions within ZnO lattice over chromium.
Spatial heterogeneity in the structure of the planktonic food web in the North Sea
DEFF Research Database (Denmark)
Richardson, Kathrine; Nielsen, Torkel Gissel; Bo Pedersen, Flemming
1998-01-01
The distributions of bacteria, phytoplankton, protozooplankton and copepod biomass and activity were examined in relation to hydrographic characteristics of the water column on 2 cruises in the North Sea (August 1991 and May 1992). On both cruises. the greatest phytoplankton biomass concentrations...... into larger zooplankters. We argue that heterogeneity in the nutrient status of phytoplankton in the subsurface peak can be important in controlling the type ('classical' or 'regenerated') of planktonic food web found in the water column as a whole...
Directory of Open Access Journals (Sweden)
Shuai Li
Full Text Available Leaf physiology determines the carbon acquisition of the whole plant, but there can be considerable variation in physiology and carbon acquisition within individual leaves. Alocasia macrorrhiza (L. Schott is an herbaceous species that can develop very large leaves of up to 1 m in length. However, little is known about the hydraulic and photosynthetic design of such giant leaves. Based on previous studies of smaller leaves, and on the greater surface area for trait variation in large leaves, we hypothesized that A. macrorrhiza leaves would exhibit significant heterogeneity in structure and function. We found evidence of reduced hydraulic supply and demand in the outer leaf regions; leaf mass per area, chlorophyll concentration, and guard cell length decreased, as did stomatal conductance, net photosynthetic rate and quantum efficiency of photosystem II. This heterogeneity in physiology was opposite to that expected from a thinner boundary layer at the leaf edge, which would have led to greater rates of gas exchange. Leaf temperature was 8.8°C higher in the outer than in the central region in the afternoon, consistent with reduced stomatal conductance and transpiration caused by a hydraulic limitation to the outer lamina. The reduced stomatal conductance in the outer regions would explain the observed homogeneous distribution of leaf water potential across the leaf surface. These findings indicate substantial heterogeneity in gas exchange across the leaf surface in large leaves, greater than that reported for smaller-leafed species, though the observed structural differences across the lamina were within the range reported for smaller-leafed species. Future work will determine whether the challenge of transporting water to the outer regions can limit leaf size for plants experiencing drought, and whether the heterogeneity of function across the leaf surface represents a particular disadvantage for large simple leaves that might explain their
DEFF Research Database (Denmark)
Zhang, Yanfei; Hu, L.N.; Liu, S.J.
2013-01-01
We study the sub-Tg relaxation in an extremely unstable glass former, i.e., 65SiO2-35Al2O3, and its relation to structural heterogeneity (e.g., structurally ordered domains in glass matrix). This is done by hyperquenching (~106 K/s) the liquid, then annealing the hyperquenched glass below Tg...... and subsequently scanning the annealed hyperquenched glass in a differential scanning calorimeter. The results show that structural ordering can take place even below Tg. An endothermic pre-peak is observed when the hyperquenched sample is annealed at 0.75Tg for sufficiently long time, which is, however, much...... weaker compared to that of stable glass formers subjected to same annealing conditions. We also investigate the effect of the sub-Tg annealing on crystallization above Tg. The results imply that some structurally ordered domains exist already in the liquid state. The ordered domains lower the activation...
Active particles in periodic lattices
Chamolly, Alexander; Ishikawa, Takuji; Lauga, Eric
2017-11-01
Both natural and artificial small-scale swimmers may often self-propel in environments subject to complex geometrical constraints. While most past theoretical work on low-Reynolds number locomotion addressed idealised geometrical situations, not much is known on the motion of swimmers in heterogeneous environments. As a first theoretical model, we investigate numerically the behaviour of a single spherical micro-swimmer located in an infinite, periodic body-centred cubic lattice consisting of rigid inert spheres of the same size as the swimmer. Running a large number of simulations we uncover the phase diagram of possible trajectories as a function of the strength of the swimming actuation and the packing density of the lattice. We then use hydrodynamic theory to rationalise our computational results and show in particular how the far-field nature of the swimmer (pusher versus puller) governs even the behaviour at high volume fractions.
Energy Technology Data Exchange (ETDEWEB)
Fujie, G.; Kasahara, J.; Sato, T.; Mochizuki, K. [The University of Tokyo, Tokyo (Japan). Earthquake Research Institute
1996-05-01
Methods were studied for determining the initial travel time and ray paths with stability when an non-linear travel time inversion is performed in an inhomogeneous structure. The travel time calculation was based on Faria and Stoffa`s method. First, the 2-dimension space was sectioned by grids, and `slowness` was assigned to all the lattice points. Starting from the vibration source, travel time at each lattice point is sequentially calculated. This method calculates travel time for any structure without breakup. In this study, an algorithm more sophisticated than the method of Faria, et al., was developed, and the improvement of travel time calculation accuracy led to the accurate determination of the direction of incidence into the lattice points during the initial motion. The calculation of ray paths was effected by tracing back from the receiving points the incidence into the lattice points or by following back the ray paths to the vibration source. This method performs stable calculation for a heavily inhomogeneous structure and, with the algorithm being simple, do the parallel programming as well. 1 ref., 6 figs., 1 tab.
An Active Lattice Model in a Bayesian Framework
DEFF Research Database (Denmark)
Carstensen, Jens Michael
1996-01-01
A Markov Random Field is used as a structural model of a deformable rectangular lattice. When used as a template prior in a Bayesian framework this model is powerful for making inferences about lattice structures in images. The model assigns maximum probability to the perfect regular lattice by p...
In-situ analysis of strain localization related to structural heterogeneities of carbonate rocks
Directory of Open Access Journals (Sweden)
Dimanov A.
2010-06-01
Full Text Available The technique of Digital Image Correlation (DIC has been applied to study the deformation of porous carbonate rocks subjected to uniaxial compression tests. The tests have been performed at two different scales: on cylinders of 10 cm high compressed with a standard press with digital images recorded by optical microscopy at a global and local scale and on smaller parallelepiped samples deformed inside a scanning electron microscope (SEM. The development of localization at different scales is thus recorded as well as the damage and compaction mechanisms in relation with the microstructural heterogeneities.
Directory of Open Access Journals (Sweden)
Frank Rodolfo Fonseca-Fonseca
2014-01-01
Full Text Available Hemos simulado la formación de patrones en superficies de silic io. Para este propósito, se utilizó el método de Lattice-Boltzm ann suponiendo dos fluidos no ideales, que interactúan, utilizando una rejilla de velocidades D2Q9 . El experimento se llevó a cabo con un láser de pulsos multilínea (1064, 532 y 355 nm de Nd: YAG, qu e emplea un rango de energía 310 a 3.100 J, en una superficie d e silicio monocristalino , tipo p, orientado en la dirección [111]. Todo el sistema se som etió a soplado de gas de argón que es clave en la formación de los patrones. La simulación computacional reproduc e bastante bien, el comportamiento global de los patrones geomé tricos experimentales, expresados en ondulaciones paralelas oblicuas.
Transmission Electron Microscope Measures Lattice Parameters
Pike, William T.
1996-01-01
Convergent-beam microdiffraction (CBM) in thermionic-emission transmission electron microscope (TEM) is technique for measuring lattice parameters of nanometer-sized specimens of crystalline materials. Lattice parameters determined by use of CBM accurate to within few parts in thousand. Technique developed especially for use in quantifying lattice parameters, and thus strains, in epitaxial mismatched-crystal-lattice multilayer structures in multiple-quantum-well and other advanced semiconductor electronic devices. Ability to determine strains in indivdual layers contributes to understanding of novel electronic behaviors of devices.
Alhijjaj, Muqdad; Reading, Mike; Belton, Peter; Qi, Sheng
2015-11-03
Characterizing inter- and intrasample heterogeneity of solid and semisolid pharmaceutical products is important both for rational design of dosage forms and subsequent quality control during manufacture; however, most pharmaceutical products are multicomponent formulations that are challenging in this regard. Thermal analysis, in particular differential scanning calorimetry, is commonly used to obtain structural information, such as degree of crystallinity, or identify the presence of a particular polymorph, but the results are an average over the whole sample; it cannot directly provide information about the spatial distribution of phases. This study demonstrates the use of a new thermo-optical technique, thermal analysis by structural characterization (TASC), that can provide spatially resolved information on thermal transitions by applying a novel algorithm to images acquired by hot stage microscopy. We determined that TASC can be a low cost, relatively rapid method of characterizing heterogeneity and other aspects of structure. In the examples studied, it was found that high heating rates enabled screening times of 3-5 min per sample. In addition, this study demonstrated the higher sensitivity of TASC for detecting the metastable form of polyethylene glycol (PEG) compared to conventional differential scanning calorimetry (DSC). This preliminary work suggests that TASC will be a worthwhile additional tool for characterizing a broad range of materials.
Liu, Xiaorong; Jia, Zhiguang; Chen, Jianhan
2017-10-05
Antiapoptotic Bcl-xL plays central roles in regulating programed cell death. Partial unfolding of Bcl-xL has been observed at the interface upon specific binding to the pro-apoptotic BH3-only protein PUMA, which in turn disrupts the interaction of Bcl-xL with tumor suppressor p53 and promotes apoptosis. Previous analysis of existing Bcl-xL structures and atomistic molecular dynamics (MD) simulations have suggested that substantial intrinsic structure heterogeneity exists at the BH3-only protein binding interface of Bcl-xL to facilitate its conformational transitions upon binding. In this study, enhanced sampling is applied to further characterize the interfacial conformations of unbound Bcl-xL in explicit solvent. Extensive replica exchange with solute tempering (REST) simulations, with a total accumulated time of 16 μs, were able to cover much wider conformational spaces for the interfacial region of Bcl-xL. The resulting structural ensembles are much better converged, with local and long-range structural features that are highly consistent with existing NMR data. These simulations further demonstrate that the BH3-only protein binding interface of Bcl-xL is intrinsically disordered and samples many rapidly interconverting conformations. Intriguingly, all previously observed conformers are well represented in the unbound structure ensemble. Such intrinsic structural heterogeneity and flexibility may be critical for Bcl-xL to undergo partial unfolding induced by PUMA binding, and likely provide a robust basis that allows Bcl-xL to respond sensitively to binding of various ligands in cellular signaling and regulation.
On Some Properties of PBZ*-Lattices
Giuntini, Roberto; Ledda, Antonio; Paoli, Francesco
2017-12-01
We continue the algebraic investigation of PBZ*-lattices, a notion introduced in Giuntini et al. (Stud. Logica 104, 1145-1177, 2016) in order to obtain insights into the structure of certain algebras of effects of a Hilbert space, lattice-ordered under the spectral ordering.
Categorical Equivalence Between Orthomodular Dynamic Algebras and Complete Orthomodular Lattices
Kishida, Kohei; Rafiee Rad, Soroush; Sack, Joshua; Zhong, Shengyang
2017-12-01
This paper provides a categorical equivalence between two types of quantum structures. One is a complete orthomodular lattice, which is used for reasoning about testable properties of a quantum system. The other is an orthomodular dynamic algebra, which is a quantale used for reasoning about quantum actions. The result extends to more restrictive lattices than orthomodular lattices, and includes Hilbert lattices of closed subspaces of a Hilbert space. These other lattice structures have connections to a wide range of different quantum structures; hence our equivalence establishes a categorical connection between quantales and a great variety of quantum structures.
Bachoc, Christine
2005-01-01
We study the Grassmannian 4-designs contained in lattices, in connection with the local property of the Rankin constant. We prove that the sequence of Barnes-Wall lattices contain Grassmannian 6-designs.
Li, Bai; Chiong, Raymond; Lin, Mu
2015-02-01
Protein structure prediction is a fundamental issue in the field of computational molecular biology. In this paper, the AB off-lattice model is adopted to transform the original protein structure prediction scheme into a numerical optimization problem. We present a balance-evolution artificial bee colony (BE-ABC) algorithm to address the problem, with the aim of finding the structure for a given protein sequence with the minimal free-energy value. This is achieved through the use of convergence information during the optimization process to adaptively manipulate the search intensity. Besides that, an overall degradation procedure is introduced as part of the BE-ABC algorithm to prevent premature convergence. Comprehensive simulation experiments based on the well-known artificial Fibonacci sequence set and several real sequences from the database of Protein Data Bank have been carried out to compare the performance of BE-ABC against other algorithms. Our numerical results show that the BE-ABC algorithm is able to outperform many state-of-the-art approaches and can be effectively employed for protein structure optimization. Copyright © 2014 Elsevier Ltd. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Maurya, A.; Thamizhavel, A.; Dhar, S.K. [Department of Condensed Matter Physics & Materials Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400 005 (India); Provino, A.; Pani, M.; Costa, G.A. [Department of Chemistry, University of Genova, Via Dodecaneso 31, 16146 Genova (Italy); Institute SPIN-CNR, Corso Perrone 24, 16152 Genova (Italy)
2017-03-15
Single crystals of the new compound CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} have been grown by high-temperature solution growth method using a eutectic Al-Si mixture as flux. This compound is derived from the binary CeSi{sub 2} (tetragonal α-ThSi{sub 2}-type, Pearson symbol tI12, space group I4{sub 1}/amd) obtained by partial substitution of Si by Cu and Al atoms but showing full occupation of the Si crystal site (8e). While CeSi{sub 2} is a well-known valence-fluctuating paramagnetic compound, the CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} phase orders ferromagnetically at T{sub C}=9.3 K. At low temperatures the easy-axis of magnetization is along the a-axis, which re-orients itself along the c-axis above 30 K. The presence of hysteresis in the magnetization curve, negative temperature coefficient of resistivity at high temperatures, reduced jump in the heat capacity and a relatively lower entropy released up to the ordering temperature, and enhanced Sommerfeld coefficient (≈100 mJ/mol K{sup 2}) show that CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} is a Kondo lattice ferromagnetic, moderate heavy fermion compound. Analysis of the high temperature heat capacity data in the paramagnetic region lets us infer that the crystal electric field split doublet levels are located at 178 and 357 K, respectively, and Kondo temperature (8.4 K) is of the order of T{sub C} in CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58}.
Vaitheeswaran, G; Kanchana, V; Zhang, Xinxin; Ma, Yanming; Svane, A; Christensen, N E
2016-08-10
A detailed study of the high-pressure structural properties, lattice dynamics and band structures of perovskite structured fluorides KZnF3, CsCaF3 and BaLiF3 has been carried out by means of density functional theory. The calculated structural properties including elastic constants and equation of state agree well with available experimental information. The phonon dispersion curves are in good agreement with available experimental inelastic neutron scattering data. The electronic structures of these fluorides have been calculated using the quasi particle self-consistent [Formula: see text] approximation. The [Formula: see text] calculations reveal that all the fluorides studied are wide band gap insulators, and the band gaps are significantly larger than those obtained by the standard local density approximation, thus emphasizing the importance of quasi particle corrections in perovskite fluorides.
Lattice dynamics of strontium tungstate
Indian Academy of Sciences (India)
2015-11-27
Nov 27, 2015 ... We report here measurements of the phonon density of states and the lattice dynamics calculations of strontium tungstate (SrWO4). At ambient conditions this compound crystallizes to a body-centred tetragonal unit cell (space group I41/a) called scheelite structure. We have developed transferable ...
Atkinson, D; van Steenwijk, F.J.
The resistance between two arbitrary nodes in an infinite square lattice of:identical resistors is calculated, The method is generalized to infinite triangular and hexagonal lattices in two dimensions, and also to infinite cubic and hypercubic lattices in three and more dimensions. (C) 1999 American
Li, Bing; Dong, Yongchun; Ding, Zhizhong
2013-07-01
The amidoximated polyacrylonitrile (PAN) fiber Fe complexes were prepared and used as the heterogeneous Fenton catalysts for the degradation of 28 anionic water soluble azo dyes in water under visible irradiation. The multiple linear regression (MLR) method was employed to develop the quantitative structure property relationship (QSPR) model equations for the decoloration and mineralization of azo dyes. Moreover, the predictive ability of the QSPR model equations was assessed using Leave-one-out (LOO) and cross-validation (CV) methods. Additionally, the effect of Fe content of catalyst and the sodium chloride in water on QSPR model equations were also investigated. The results indicated that the heterogeneous photo-Fenton degradation of the azo dyes with different structures was conducted in the presence of the amidoximated PAN fiber Fe complex. The QSPR model equations for the dye decoloration and mineralization were successfully developed using MLR technique. MW/S (molecular weight divided by the number of sulphonate groups) and NN=N (the number of azo linkage) are considered as the most important determining factor for the dye degradation and mineralization, and there is a significant negative correlation between MW/S or NN=N and degradation percentage or total organic carbon (TOC) removal. Moreover, LOO and CV analysis suggested that the obtained QSPR model equations have the better prediction ability. The variation in Fe content of catalyst and the addition of sodium chloride did not alter the nature of the QSPR model equations.
Zhu, Feifei; Trinidad, Jonathan C.; Clemmer, David E.
2015-07-01
Glycopeptides from a tryptic digest of chicken ovomucoid were enriched using a simplified lectin affinity chromatography (LAC) platform, and characterized by high-resolution mass spectrometry (MS) as well as ion mobility spectrometry (IMS)-MS. The LAC platform effectively enriched the glycoproteome, from which a total of 117 glycopeptides containing 27 glycan forms were identified for this protein. IMS-MS analysis revealed a high degree of glycopeptide site heterogeneity. Comparison of the IMS distributions of the glycopeptides from different charge states reveals that higher charge states allow more structures to be resolved. Presumably the repulsive interactions between charged sites lead to more open configurations, which are more readily separated compared with the more compact, lower charge state forms of the same groups of species. Combining IMS with collision induced dissociation (CID) made it possible to determine the presence of isomeric glycans and to reconstruct their IMS profiles. This study illustrates a workflow involving hybrid techniques for determining glycopeptide site heterogeneity and evaluating structural diversity of glycans and glycopeptides.
A LiDAR method of canopy structure retrieval for wind modeling of heterogeneous forests
DEFF Research Database (Denmark)
Boudreault, Louis-Etienne; Bechmann, Andreas; Taryainen, Lasse
2015-01-01
The difficulty of obtaining accurate information about the canopy structure is a current limitation towards higher accuracy in numerical predictions of the wind field in forested terrain. The canopy structure in computational fluid dynamics is specified through the frontal area density...
Fischer, P.; Jardani, A.; Lecoq, N.
2017-03-01
Inverse problem permits to map the subsurface properties from a few observed data. The inverse problem can be physically constrained by a priori information on the property distribution in order to limit the nonuniqueness of the solution. The geostatistical information is often chosen as a priori information; however, when the field properties present a spatial locally distributed high variability, the geostatistical approach becomes inefficient. Therefore, we propose a new method adapted for fields presenting linear structures (such as a fractured field). The Cellular Automata-based Deterministic Inversion (CADI) method is, as far as we know when this paper is produced, the first inversion method which permits a deterministic inversion based on a Bayesian approach and using a dynamic optimization to generate different linear structures iteratively. The model is partitioned in cellular automaton subspaces, each one controlling a different zone of the model. A cellular automata subspace structures the properties of the model in two units ("structure" and "background") and control their dispensing direction and their values. The partitioning of the model in subspaces permits to monitor a large-scale structural model with only a few pilot-parameters and to generate linear structures with local direction changes. Thereby, the algorithm can easily handle with large-scale structures, and a sensitivity analysis is possible on these structural pilot-parameters, which permits to considerably accelerate the optimization process in order to find the best structural geometry. The algorithm has been successfully tested on simple, to more complex, theoretical models with different inversion techniques by using seismic and hydraulic data.
Machineni, Lakshmi; Rajapantul, Anil; Nandamuri, Vandana; Pawar, Parag D
2017-03-01
The resistance of bacterial biofilms to antibiotic treatment has been attributed to the emergence of structurally heterogeneous microenvironments containing metabolically inactive cell populations. In this study, we use a three-dimensional individual-based cellular automata model to investigate the influence of nutrient availability and quorum sensing on microbial heterogeneity in growing biofilms. Mature biofilms exhibited at least three structurally distinct strata: a high-volume, homogeneous region sandwiched between two compact sections of high heterogeneity. Cell death occurred preferentially in layers in close proximity to the substratum, resulting in increased heterogeneity in this section of the biofilm; the thickness and heterogeneity of this lowermost layer increased with time, ultimately leading to sloughing. The model predicted the formation of metabolically dormant cellular microniches embedded within faster-growing cell clusters. Biofilms utilizing quorum sensing were more heterogeneous compared to their non-quorum sensing counterparts, and resisted sloughing, featuring a cell-devoid layer of EPS atop the substratum upon which the remainder of the biofilm developed. Overall, our study provides a computational framework to analyze metabolic diversity and heterogeneity of biofilm-associated microorganisms and may pave the way toward gaining further insights into the biophysical mechanisms of antibiotic resistance.
Supermodular Programming on Lattices
Directory of Open Access Journals (Sweden)
Vladimir R. Khachaturov
2003-04-01
Full Text Available Questions, concerning the optimization of supermodular functions on finite lattices are considered in the paper. The systematic summary of main authors' and other researchers' results known before, new authors' results are given. There should be marked out the following three results among new results. The first - elaboration of the basic propositions of the theory of maximization of supermodular functions on Boolean lattices (they were worked out only for the problems of minimization before and establishing of relation between global minimum and maximum of supermodular function for main types of lattices. The second - elaboration of original combinatorial algorithms of automatized representation of hyper-cubes (booleans of large dimension on a plane in the form of various diagrams, on which the properties of boolean as a partially ordered set of its vertexes are kept (This provides us with ample opportunities for construction of various schemes of looking through the elements of atomic lattices and for visualization of the optimization process. The third - carrying out the basic propositions of the theory of optimization of supermodular functions to the main types of lattices: Boolean lattices, lattices with relative supplements (division lattices, lattices of vector subspaces of finite-dimensional vector space, geometrical spaces, lattices equal to Cartesian product of chains, distributive lattices, atomic lattices. These theoretical results and availability of the great amount of optimization problems for lattices with concrete forms of supermodular functions allow to consider methods and algorithms for solving the problems of optimization of supermodular functions on lattices as a new field of mathematical programming - supermodular programming [19].
Tunable spatial heterogeneity in structure and composition within aqueous microfluidic droplets
National Research Council Canada - National Science Library
Hui Sophia Lee, Su; Wang, Pengzhi; Kun Yap, Swee; Alan Hatton, T; Khan, Saif A
2012-01-01
In this paper, we demonstrate biphasic microfluidic droplets with broadly tunable internal structures, from simple near-equilibrium drop-in-drop morphologies to complex yet uniform non-equilibrium...
2015-11-04
and J. R. Murphy (1971), Seismic characteristics of underground nuclear detonaions, Part I, Seismic spectrum scaling, Bull. Seism. Soc. Am., 61(6...ABSTRACT We analyze variability of the Pn seismic phase associated with regionally varying seismic velocity structure, seeking to establish self...synthetics for structures in Eurasia based on RSTT (Regional Seismic Travel Time) models and empirically based models that match the observed Pn spreading
2015-11-04
and J. R. Murphy (1971), Seismic characteristics of underground nuclear detonaions, Part I, Seismic spectrum scaling, Bull. Seism. Soc. Am., 61(6...ABSTRACT We analyze variability of the Pn seismic phase associated with regionally varying seismic velocity structure, seeking to establish self...synthetics for structures in Eurasia based on RSTT (Regional Seismic Travel Time) models and empirically based models that match the observed Pn spreading
Baxter, C. V.; Torgersen, C. E.
2005-05-01
A distinct domain of heterogeneity at the valley segment scale has long been recognized by geomorphologists, but its implications for stream ecology have received less attention. As opposed to sampling discrete points, stream ecologists' efforts to make maps have generally been applied at only at very large or small spatial scales. We have found mapping of valley segment types a powerful tool for detecting patterns at an intermediate scale, which then sets the stage for interpreting patterns observed at both smaller and larger scales. We report results from a series of studies that describe how valley segment types and their arrangements within river networks affect the expression of habitat structure, the distribution and abundance of species, the makeup of communities, and the flux of resources between aquatic and terrestrial food webs. Study tools such as valley segment mapping provide a more spatially continuous perspective on biophysical heterogeneity in riverine landscapes. In turn, increasing the spatial extent and resolution of data improves the scope of a study, which enhances power to detect patterns and investigate scaling relationships in river networks.
Henritzi, Patrick; Bormuth, André; Klameth, Felix; Vogel, Michael
2015-10-28
We perform molecular dynamics simulations for viscous liquids to study the relations between dynamical heterogeneity, structural (α) relaxation, and self-diffusion. For atomistic models of supercooled water, polymer melts, and an ionic liquid, we characterize the space-time characteristics of dynamical heterogeneity by the degree of deviations from Gaussian displacement statistics (α2), the size of clusters comprising highly mobile particles (S(w)), and the length of strings consisting of cooperatively moving particles (L(w)). Comparison of our findings with previous simulation results for a large variety of viscous liquids, ranging from monoatomic liquids to silica melt, reveals a nearly universal decoupling between the time scales of maximum non-Gaussian parameter (τ(α2)) and the time constant of the α relaxation (τ(α)) upon cooling, explicitly, τ(α2) ∝τ(α)(3/4). Such uniform relation was not observed between the peak times of S(w) or L(w) and τ(α). On the other hand, the temperature-dependent time scale of maximum string length (τ(L)) follows the inverse of the self-diffusion coefficient (D) for various systems at sufficiently low temperatures, i.e., τ(L) ∝ D(-1). These observations are discussed in view of a breakdown of the Stokes-Einstein relation for the studied systems. It is found that the degree of deviation from this relation is correlated with the stretching of the α relaxation.
Martinez‐Murcia, Francisco Jesús; Lai, Meng‐Chuan; Ramírez, Javier; Young, Adam M. H.; Deoni, Sean C. L.; Ecker, Christine; Lombardo, Michael V.; Baron‐Cohen, Simon; Murphy, Declan G. M.; Bullmore, Edward T.; Suckling, John
2016-01-01
Abstract Neuroimaging studies have reported structural and physiological differences that could help understand the causes and development of Autism Spectrum Disorder (ASD). Many of them rely on multisite designs, with the recruitment of larger samples increasing statistical power. However, recent large‐scale studies have put some findings into question, considering the results to be strongly dependent on the database used, and demonstrating the substantial heterogeneity within this clinically defined category. One major source of variance may be the acquisition of the data in multiple centres. In this work we analysed the differences found in the multisite, multi‐modal neuroimaging database from the UK Medical Research Council Autism Imaging Multicentre Study (MRC AIMS) in terms of both diagnosis and acquisition sites. Since the dissimilarities between sites were higher than between diagnostic groups, we developed a technique called Significance Weighted Principal Component Analysis (SWPCA) to reduce the undesired intensity variance due to acquisition site and to increase the statistical power in detecting group differences. After eliminating site‐related variance, statistically significant group differences were found, including Broca's area and the temporo‐parietal junction. However, discriminative power was not sufficient to classify diagnostic groups, yielding accuracies results close to random. Our work supports recent claims that ASD is a highly heterogeneous condition that is difficult to globally characterize by neuroimaging, and therefore different (and more homogenous) subgroups should be defined to obtain a deeper understanding of ASD. Hum Brain Mapp 38:1208–1223, 2017. © 2016 Wiley Periodicals, Inc. PMID:27774713
Impact of mineralogical heterogeneity on reactive transport modelling
Liu, Min; Shabaninejad, Mehdi; Mostaghimi, Peyman
2017-07-01
Impact of mineralogical heterogeneity of rocks in reactive modelling is investigated by applying a pore scale model based on the Lattice Boltzmann and Finite Volume Methods. Mass transport, chemical reaction and solid structure modification are included in the model. A two-dimensional mineral map of a sandstone rock is acquired using the imaging technique of QEMSCAN SEM with Energy-Dispersive X-ray Spectroscopy (EDS). The mineralogical heterogeneity is explored by conducting multi-mineral reaction simulations on images containing various minerals. The results are then compared with the prediction of single mineral dissolution modelling. Dissolution patterns and permeability variations of multi-mineral and single mineral reactions are presented. The errors of single mineral reaction modelling are also estimated. Numerical results show that mineralogical heterogeneity can cause significant errors in permeability prediction, if a uniform mineral distribution is assumed. The errors are smaller in high Péclet regimes than in low Péclet regimes in this sample.
Structural and textural study of Ni and/or Co in a common molybdate lattice as catalysts
Directory of Open Access Journals (Sweden)
Boukhlouf H.
2013-09-01
Full Text Available This work deals with the search for new molybdate catalyst formulations, which are known to be active in light alkane oxidative dehydrogenation, a process which could be replace in the near future the common steam cracking and pure dehydrogenation processes currently used for the production of alkenes. Co, Ni and mixed Ni-Co molybdates of various compositions are prepared by a modified coprecipitation procedure from metal nitrates and ammonium heptamolybdate. Their structural and textural properties were studied by XRD, Raman, B.E.T and XPS. Textural and structural properties of the materials are correlated to the composition.
Structural Study of Heterogeneous Biological Samples by Cryoelectron Microscopy and Image Processing
Directory of Open Access Journals (Sweden)
H. E. White
2017-01-01
Full Text Available In living organisms, biological macromolecules are intrinsically flexible and naturally exist in multiple conformations. Modern electron microscopy, especially at liquid nitrogen temperatures (cryo-EM, is able to visualise biocomplexes in nearly native conditions and in multiple conformational states. The advances made during the last decade in electronic technology and software development have led to the revelation of structural variations in complexes and also improved the resolution of EM structures. Nowadays, structural studies based on single particle analysis (SPA suggests several approaches for the separation of different conformational states and therefore disclosure of the mechanisms for functioning of complexes. The task of resolving different states requires the examination of large datasets, sophisticated programs, and significant computing power. Some methods are based on analysis of two-dimensional images, while others are based on three-dimensional studies. In this review, we describe the basic principles implemented in the various techniques that are currently used in the analysis of structural conformations and provide some examples of successful applications of these methods in structural studies of biologically significant complexes.
Structural and magnetic properties of (NdBa)MnO_{3} films on lattice-matched substrates
DEFF Research Database (Denmark)
Khoryushin, Alexey V.; Mozhaeva, Julia E.; Mozhaev, Peter B.
2013-01-01
Structural and magnetic properties of (NdBa)MnO3 thin films grown on several perovskite substrates by pulsed laser deposition are presented. A high crystal quality epitaxial film with smooth surface and low level of internal strain may be grown up to thicknesses of 70 nm. The in-plane distortion ...
Eghtesad, Adnan; Knezevic, Marko
2017-12-01
A corrective smooth particle method (CSPM) within smooth particle hydrodynamics (SPH) is used to study the deformation of an aircraft structure under high-velocity water-ditching impact load. The CSPM-SPH method features a new approach for the prediction of two-way fluid-structure interaction coupling. Results indicate that the implementation is well suited for modeling the deformation of structures under high-velocity impact into water as evident from the predicted stress and strain localizations in the aircraft structure as well as the integrity of the impacted interfaces, which show no artificial particle penetrations. To reduce the simulation time, a heterogeneous particle size distribution over a complex three-dimensional geometry is used. The variable particle size is achieved from a finite element mesh with variable element size and, as a result, variable nodal (i.e., SPH particle) spacing. To further accelerate the simulations, the SPH code is ported to a graphics processing unit using the OpenACC standard. The implementation and simulation results are described and discussed in this paper.
Electronic properties of graphene antidot lattices
DEFF Research Database (Denmark)
Fürst, Joachim Alexander; Pedersen, Jesper Goor; Flindt, C.
2009-01-01
into a semiconductor. We calculate the electronic band structure of graphene antidot lattices using three numerical approaches with different levels of computational complexity, efficiency and accuracy. Fast finite-element solutions of the Dirac equation capture qualitative features of the band structure, while full......Graphene antidot lattices constitute a novel class of nano-engineered graphene devices with controllable electronic and optical properties. An antidot lattice consists of a periodic array of holes that causes a band gap to open up around the Fermi level, turning graphene from a semimetal...
Heterogeneity and Microeconometrics Modelling
DEFF Research Database (Denmark)
Browning, Martin; Carro, Jesus
Presented at the 2005 Econometric Society World Congress Plenary Session on "Modelling Heterogeneity". We survey the treatment of heterogeneity in applied microeconometrics analyses. There are three themes. First, there is usually much more heterogeneity than empirical researchers allow for. Second......, the inappropriate treatment of heterogeneity can lead to serious error when estimating outcomes of interest. Finally, once we move away from the traditional linear model with a single 'fixed effect', it is very difficult to account for heterogeneity and fit the data and maintain coherence with theory structures....... The latter task is one for economists: "heterogeneity is too important to be left to the statisticians". The paper concludes with a report of our own research on dynamic discrete choice models that allow for maximal heterogeneity...
Rozova, M G; Grigoriev, V V; Bobrikov, I A; Filimonov, D S; Zakharov, K V; Volkova, O S; Vasiliev, A N; Antipov, E V; Tsirlin, A A; Abakumov, A M
2016-01-21
Highly homogeneous mullite-type solid solutions Bi2Fe(4-x)CrxO9 (x = 0.5, 1, 1.2) were synthesized using a soft chemistry technique followed by a solid-state reaction in Ar. The crystal structure of Bi2Fe3CrO9 was investigated using X-ray and neutron powder diffraction, transmission electron microscopy and (57)Fe Mössbauer spectroscopy (S.G. Pbam, a = 7.95579(9) Å, b = 8.39145(9) Å, c = 5.98242(7) Å, RF(X-ray) = 0.022, RF(neutron) = 0.057). The ab planes in the structure are tessellated with distorted pentagonal loops built up by three tetrahedrally coordinated Fe sites and two octahedrally coordinated Fe/Cr sites, linked together in the ab plane by corner-sharing forming a pentagonal Cairo lattice. Magnetic susceptibility measurements and powder neutron diffraction show that the compounds order antiferromagnetically (AFM) with the Néel temperatures decreasing upon increasing the Cr content from TN ∼ 250 K for x = 0 to TN ∼ 155 K for x = 1.2. The magnetic structure of Bi2Fe3CrO9 at T = 30 K is characterized by a propagation vector k = (1/2,1/2,1/2). The tetrahedrally coordinated Fe cations form singlet pairs within dimers of corner-sharing tetrahedra, but spins on the neighboring dimers are nearly orthogonal. The octahedrally coordinated (Fe,Cr) cations form antiferromagnetic up-up-down-down chains along c, while the spin arrangement in the ab plane is nearly orthogonal between nearest neighbors and collinear between second neighbors. The resulting magnetic structure is remarkably different from the one in pure Bi2Fe4O9 and features several types of spin correlations even on crystallographically equivalent exchange that may be caused by the simultaneous presence of Fe and Cr on the octahedral site.
DEFF Research Database (Denmark)
Fenger, Mogens; Linneberg, A.; Werge, Thomas Mears
2008-01-01
: The major conclusions from this study are that the likelihood of detecting true association between genetic variants and complex traits increases tremendously when studied in physiological homogenous subpopulations and on inclusion of epistasis in the analysis, whereas epistasis (i.e. genetic networks...... and genetic variations of such networks. METHODS: In this study on type 2 diabetes mellitus, heterogeneity was resolved in a latent class framework combined with structural equation modelling using phenotypic indicators of distinct physiological processes. We modelled the clinical condition "the metabolic...... population on genetic interaction was demonstrated by analysis of several genes previously associated with the metabolic syndrome and type 2 diabetes mellitus. RESULTS: The analysis revealed the existence of 19 distinct subpopulations with a different propensity to develop diabetes mellitus within a large...
Mankowsky, R.; Fechner, M.; Först, M.; von Hoegen, A.; Porras, J.; Loew, T; Dakovski, G.L.; Seaberg, M.; Möller, S; Coslovich, G.; Keimer, B.; Dhesi, S. S.; Cavalleri, A
2017-01-01
Resonant optical excitation of apical oxygen vibrational modes in the normal state of underdoped YBa2Cu3O6+x induces a transient state with optical properties similar to those of the equilibrium superconducting state. Amongst these, a divergent imaginary conductivity and a plasma edge are transiently observed in the photo-stimulated state. Femtosecond hard x-ray diffraction experiments have been used in the past to identify the transient crystal structure in this non-equilibrium state. Here, ...
Chasmer, L.; Petrone, R.; Quinton, W.; Brown, S.; Hopkinson, C.
2009-05-01
Vegetation canopy structural characteristics play an important role in the transfer of mass and energy exchanges through time. The spatial variability of biomass surrounding the eddy covariance flux measurement system (EC) will result in differences in a) the amount of surface area available for flux exchanges, b) aerodynamic roughness of the ecosystem, and c) the source area (biophysical influences) on fluxes, depending on wind direction. The following study classifies CO2 fluxes based on wind direction and land cover/vegetation type using a combination of EC flux measurements, footprint model parameterization, and airborne lidar within a heterogeneous boreal wetland ecosystem. CO2 and H2O fluxes have been examined within the Utikuma Regional Study Area, Alberta, using EC methods since 2005. This site is unique because, in most cases, EC are deployed in flat and homogeneous land cover types with large fetch. The wetland/upland complex examined here is heterogeneous and is characterised by low-lying wetlands to the south and south-west of the EC and upland aspen forests to the north and north-east. Further, airborne lidar provides spatially explicit, high resolution three-dimensional measurements of the vegetation canopy, understory, and ground surface that are both time consuming and expensive to measure using typical forest mensuration/survey methods. The influences of vegetation structure, specifically surface area of leaves (leaf area index), aerodynamic properties of vegetation surrounding the EC, and land cover types on fluxes are examined. Spatial partitioning of fluxes based on land cover type and wind direction is used to examine both wetland and upland exchange processes.
The Lattice-Valued Turing Machines and the Lattice-Valued Type 0 Grammars
Directory of Open Access Journals (Sweden)
Juan Tang
2014-01-01
Full Text Available Purpose. The purpose of this paper is to study a class of the natural languages called the lattice-valued phrase structure languages, which can be generated by the lattice-valued type 0 grammars and recognized by the lattice-valued Turing machines. Design/Methodology/Approach. From the characteristic of natural language, this paper puts forward a new concept of the l-valued Turing machine. It can be used to characterize recognition, natural language processing, and dynamic characteristics. Findings. The mechanisms of both the generation of grammars for the lattice-valued type 0 grammar and the dynamic transformation of the lattice-valued Turing machines were given. Originality/Value. This paper gives a new approach to study a class of natural languages by using lattice-valued logic theory.
Uchida, Sayaka; Kamata, Keigo; Ogasawara, Yoshiyuki; Fujita, Megumi; Mizuno, Noritaka
2012-09-07
The structural and dynamical aspects of alkylammonium salts of a silicodecatungstate [(CH(3))(4)N](4)[γ-SiW(10)O(34)(H(2)O)(2)] [C1], [(n-C(3)H(7))(4)N](4)[γ-SiW(10)O(34)(H(2)O)(2)] [C3], [(n-C(4)H(9))(4)N](4)[γ-SiW(10)O(34)(H(2)O)(2)] [C4], and [(n-C(5)H(11))(4)N](4)[γ-SiW(10)O(34)(H(2)O)(2)] [C5] were investigated. The results of sorption isotherms, XRD analyses, and solid-state NMR spectroscopy show that facile sorption of solvent molecules, flexibility of structures, and high mobility of alkylammonium cations are crucial to the uniform distribution of reactant and oxidant molecules throughout the bulk solid, which are related to the high catalytic activities for epoxidation of alkenes.
Structuring heterogeneous biological information using fuzzy clustering of k-partite graphs
Directory of Open Access Journals (Sweden)
Theis Fabian J
2010-10-01
Full Text Available Abstract Background Extensive and automated data integration in bioinformatics facilitates the construction of large, complex biological networks. However, the challenge lies in the interpretation of these networks. While most research focuses on the unipartite or bipartite case, we address the more general but common situation of k-partite graphs. These graphs contain k different node types and links are only allowed between nodes of different types. In order to reveal their structural organization and describe the contained information in a more coarse-grained fashion, we ask how to detect clusters within each node type. Results Since entities in biological networks regularly have more than one function and hence participate in more than one cluster, we developed a k-partite graph partitioning algorithm that allows for overlapping (fuzzy clusters. It determines for each node a degree of membership to each cluster. Moreover, the algorithm estimates a weighted k-partite graph that connects the extracted clusters. Our method is fast and efficient, mimicking the multiplicative update rules commonly employed in algorithms for non-negative matrix factorization. It facilitates the decomposition of networks on a chosen scale and therefore allows for analysis and interpretation of structures on various resolution levels. Applying our algorithm to a tripartite disease-gene-protein complex network, we were able to structure this graph on a large scale into clusters that are functionally correlated and biologically meaningful. Locally, smaller clusters enabled reclassification or annotation of the clusters' elements. We exemplified this for the transcription factor MECP2. Conclusions In order to cope with the overwhelming amount of information available from biomedical literature, we need to tackle the challenge of finding structures in large networks with nodes of multiple types. To this end, we presented a novel fuzzy k-partite graph partitioning
Lee, Dohoon; McLanahan, Sara
2015-01-01
A growing literature documents the importance of family instability for child wellbeing. In this article, we use longitudinal data from the Fragile Families and Child Wellbeing Study to examine the impacts of family instability on children’s cognitive and socioemotional development in early and middle childhood. We extend existing research in several ways: (1) by distinguishing between the number and types of family structure changes; (2) by accounting for time-varying as well as time-constan...
Risteiu, M.; Lorincz, A.; Dobra, R.; Dasic, P.; Andras, I.; Roventa, M.
2017-06-01
The proposed paper shows some experimental results of a research in metallic structures inspection by using a high definition camera controller by high processing capabilities. The dedicated ARM Cortex-M4 initializes the ARM Cortex-M0 system for image acquiring. Then, by programming options, we are action for patterns (abnormal situations like metal cracks, or discontinuities) types and tuning, for enabling overexposure highlighting and adjusting camera brightness/exposure, to adjust minimum brightness, and to adjust the pattern’s teach threshold. The proposed system has been tested in normal lighting conditions from the typical site.
Hristopulos, Dionissios T.; Uesaka, Tetsu
2004-08-01
Understanding the interplay of structural disorder and strength properties at various length scales can lead to improvements in the strength reliability of heterogeneous brittle materials. Various studies in ordered fiber- matrix composites have shown the existence of critical clusters of breaks and macroscopic weak-link scaling behavior. The fiber network in paper is structurally disordered. We verify experimentally that the tensile strength of newsprint samples follows weak-link scaling and obtain an estimate for the link and critical-cluster sizes. However, a slight nonlinear behavior is observed in the Weibull plots of the experimental strength distributions. We propose that this is due to mesoscopic structural disorder (e.g., at length scales between millimeters and centimeters), which we incorporate in the strength distribution of the links by averaging over the elastic stress variations. The prevailing industry perception is that mesoscopic disorder controls the strength reliability. In contrast, we find that it does not significantly affect the crucial lower tail of the strength distribution. Based on our analysis, we suggest a more reliable measurement approach for the tensile strength of newsprint paper. We also obtain explicit expressions for the effects of disorder on stress variations and the macroscopic Young’s modulus, including dependence on the shear modulus and anisotropic effects.
Park, Marana; Kim, Kyung-Seok; Lee, Joon-Ho
2013-08-01
Lycorma delicatula (White) was identified in 2004 as an invasive pest in South Korea, where it causes serious damage to vineyard crops. To investigate the population structure and dispersal pattern of L. delicatula in South Korea, we estimated the population genetic structure and gene flow among nine locations across the country using seven microsatellite markers. Although L. delicatula spread throughout most of its geographical range in South Korea within 5-7 years following invasion, its populations show evidence of genetic structuring across the range with a low but significant global F ST (genetic differentiation across all populations) of 0.0474. Bayesian-based clustering analysis indicates the presence of at least three genetically unique populations in South Korea, including populations in northeastern South Korea, which show a distinct genetic background. However, isolation by distance suggests that populations in South Korea have not yet reached genetic equilibrium. Estimates of the historical rate of gene flow (N e m) indicate that relatively high rates of flow have been maintained among populations within the western region, which may indicate recent range expansion. A population assignment test using the first-generation migrant detection method suggested that long-distance dispersal of L. delicatula may have occurred over large areas of South Korea. More complex dispersal patterns may have occurred during L. delicatula invasion of heterogeneous landscapes in South Korea.
Mikaelyan, Aram; Meuser, Katja; Brune, Andreas
2017-01-01
Symbiotic digestion of lignocellulose in higher termites (family Termitidae) is accomplished by an exclusively prokaryotic gut microbiota. By deep sequencing of amplified 16S rRNA genes, we had identified diet as the primary determinant of bacterial community structure in a broad selection of termites specialized on lignocellulose in different stages of humification. Here, we increased the resolution of our approach to account for the pronounced heterogeneity in microenvironmental conditions and microbial activities in the major hindgut compartments. The community structure of consecutive gut compartments in each species strongly differed, but that of homologous compartments clearly converged, even among unrelated termites. While the alkaline P1 compartments of all termites investigated contained specific lineages of Clostridiales, the posterior hindgut compartments (P3, P4) differed between feeding groups and were predominantly colonized by putatively fiber-associated lineages of Spirochaetes, Fibrobacteres and the TG3 phylum (wood and grass feeders) or diverse assemblages of Clostridiales and Bacteroidetes (humus and soil feeders). The results underscore that bacterial community structure in termite guts is driven by microenvironmental factors, such as pH, available substrates and gradients of O2 and H2, and inspire investigations on the functional roles of specific bacterial taxa in lignocellulose and humus digestion. © FEMS 2016. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.
Mankowsky, R; Fechner, M; Först, M; von Hoegen, A; Porras, J; Loew, T; Dakovski, G L; Seaberg, M; Möller, S; Coslovich, G; Keimer, B; Dhesi, S S; Cavalleri, A
2017-07-01
Resonant optical excitation of apical oxygen vibrational modes in the normal state of underdoped YBa2Cu3O6+x induces a transient state with optical properties similar to those of the equilibrium superconducting state. Amongst these, a divergent imaginary conductivity and a plasma edge are transiently observed in the photo-stimulated state. Femtosecond hard x-ray diffraction experiments have been used in the past to identify the transient crystal structure in this non-equilibrium state. Here, we start from these crystallographic features and theoretically predict the corresponding electronic rearrangements that accompany these structural deformations. Using density functional theory, we predict enhanced hole-doping of the CuO2 planes. The empty chain Cu dy(2)-z(2) orbital is calculated to strongly reduce in energy, which would increase c-axis transport and potentially enhance the interlayer Josephson coupling as observed in the THz-frequency response. From these results, we calculate changes in the soft x-ray absorption spectra at the Cu L-edge. Femtosecond x-ray pulses from a free electron laser are used to probe changes in absorption at two photon energies along this spectrum and provide data consistent with these predictions.
Directory of Open Access Journals (Sweden)
R. Mankowsky
2017-07-01
Full Text Available Resonant optical excitation of apical oxygen vibrational modes in the normal state of underdoped YBa2Cu3O6+x induces a transient state with optical properties similar to those of the equilibrium superconducting state. Amongst these, a divergent imaginary conductivity and a plasma edge are transiently observed in the photo-stimulated state. Femtosecond hard x-ray diffraction experiments have been used in the past to identify the transient crystal structure in this non-equilibrium state. Here, we start from these crystallographic features and theoretically predict the corresponding electronic rearrangements that accompany these structural deformations. Using density functional theory, we predict enhanced hole-doping of the CuO2 planes. The empty chain Cu dy2-z2 orbital is calculated to strongly reduce in energy, which would increase c-axis transport and potentially enhance the interlayer Josephson coupling as observed in the THz-frequency response. From these results, we calculate changes in the soft x-ray absorption spectra at the Cu L-edge. Femtosecond x-ray pulses from a free electron laser are used to probe changes in absorption at two photon energies along this spectrum and provide data consistent with these predictions.
Marzun, Galina; Levish, Alexander; Mackert, Viktor; Kallio, Tanja; Barcikowski, Stephan; Wagener, Philipp
2017-03-01
Platinum and iridium are rare and expensive noble metals that are used as catalysts for different sectors including in heterogeneous chemical automotive emission catalysis and electrochemical energy conversion. Nickel and its alloys are promising materials to substitute noble metals. Nickel based materials are cost-effective with good availability and show comparable catalytic performances. The nickel-molybdenum system is a very interesting alternative to platinum in water electrolysis. We produced ligand-free nickel-molybdenum nanoparticles by laser ablation in water and acetone. Our results show that segregated particles were formed in water due to the oxidation of the metals. X-ray diffraction shows a significant change in the lattice parameter due to a diffusion of molybdenum atoms into the nickel lattice with increasing activity in the electrochemical oxygen evolution reaction. Even though the solubility of molecular oxygen in acetone is higher than in water, there were no oxides and a more homogeneous metal distribution in the particles in acetone as seen by TEM-EDX. This showed that dissolved molecular oxygen does not control oxide formation. Overall, the laser ablation of pressed micro particulate mixtures in liquids offers a combinational synthesis approach that allows the screening of alloy nanoparticles for catalytic testing and can convert micro-mixtures into nano-alloys. Copyright © 2016 Elsevier Inc. All rights reserved.
Bzostek, Sharon H; Berger, Lawrence M
2017-04-01
A vast amount of literature has documented negative associations between family instability and child development, with the largest associations being in the socioemotional (behavioral) domain. Yet, prior work has paid limited attention to differentiating the role of the number, types, and sequencing of family transitions that children experience, as well as to understanding potential heterogeneity in these associations by family structure at birth. We use data from the Fragile Families and Child Wellbeing Study and hierarchical linear models to examine associations of family structure states and transitions with children's socioemotional development during the first nine years of life. We pay close attention to the type and number of family structure transitions experienced and examine whether associations differ depending on family structure at birth. For children born to cohabiting or noncoresident parents, we find little evidence that subsequent family structure experiences are associated with socioemotional development. For children born to married parents, we find associations between family instability and poorer socioemotional development. However, this largely reflects the influence of parental breakup; we find little evidence that socioemotional trajectories differ for children with various family structure experiences subsequent to their parents' breakup.
Kim, Beom Hyun; Shirakawa, Tomonori; Yunoki, Seiji
2016-10-28
The t_{2g} orbitals of an edge-shared transition-metal oxide with a honeycomb lattice structure form dispersionless electronic bands when only hopping mediated by the edge-sharing oxygens is accessible. This is due to the formation of isolated quasimolecular orbitals (QMOs) in each hexagon, introduced recently by Mazin et al. [Phys. Rev. Lett. 109, 197201 (2012)], which stabilizes a band insulating phase for t_{2g}^{5} systems. However, with the help of the exact diagonalization method to treat the electron kinetics and correlations on an equal footing, we find that the QMOs are fragile against not only the spin-orbit coupling (SOC) but also the Coulomb repulsion. We show that the electronic phase of t_{2g}^{5} systems can vary from a quasimolecular band insulator to a relativistic J_{eff}=1/2 Mott insulator with increasing the SOC as well as the Coulomb repulsion. The different electronic phases manifest themselves in electronic excitations observed in optical conductivity and resonant inelastic x-ray scattering. Based on our calculations, we assert that the currently known Ru^{3+} and Ir^{4+} based honeycomb systems are far from the quasimolecular band insulator but rather the relativistic Mott insulator.
Li, Mengxue; Liu, Mengnan; Jiang, Chengyi; Liu, Tongtong; Sun, Peng; Wan, Yong
2018-01-01
In this paper, we propose a two-dimensional (2-D) triangular lattice photonic crystal plate by close-packed SiO2/ TiO2 layers with the stacking mode of ABABABA. By using the finite-difference time-domain (FDTD) method, negative refraction of a single Gaussian beam incident plate with different angles are respectively demonstrated; clear image spots of a point source with normalized frequency ω=0.3605(2πc/a) vertical incident media plate are obtained in the image plane. It can be found that the imaging properties are as same as the isotropic homogeneous medium with refractive index n=-1. The measurement results show that when the distance between the image and the upper surface of the sample V is 5.12a, 3.09a and 1.15a, the distance between the source and the lower surface of the sample U is a, 3a and 5a, respectively. This means that the sum of U and V is mostly equal to the thickness of the plate L and the negative effect of near-perfect lens is realized. This proposed structure with negative refraction properties may have great applications for the design of photonic crystal focusing devices.
Energy Technology Data Exchange (ETDEWEB)
Kumar, Amit; Park, HaJeung; Fang, Pengfei; Parkesh, Raman; Guo, Min; Nettles, Kendall W.; Disney, Matthew D. (Scripps)
2012-03-27
RNA internal loops often display a variety of conformations in solution. Herein, we visualize conformational heterogeneity in the context of the 5'CUG/3'GUC repeat motif present in the RNA that causes myotonic dystrophy type 1 (DM1). Specifically, two crystal structures of a model DM1 triplet repeating construct, 5'r[{und UU}GGGC(C{und U}G){sub 3}GUCC]{sub 2}, refined to 2.20 and 1.52 {angstrom} resolution are disclosed. Here, differences in the orientation of the 5' dangling UU end between the two structures induce changes in the backbone groove width, which reveals that noncanonical 1 x 1 nucleotide UU internal loops can display an ensemble of pairing conformations. In the 2.20 {angstrom} structure, CUGa, the 5' UU forms a one hydrogen-bonded pair with a 5' UU of a neighboring helix in the unit cell to form a pseudoinfinite helix. The central 1 x 1 nucleotide UU internal loop has no hydrogen bonds, while the terminal 1 x 1 nucleotide UU internal loops each form a one-hydrogen bond pair. In the 1.52 {angstrom} structure, CUGb, the 5' UU dangling end is tucked into the major groove of the duplex. While the canonically paired bases show no change in base pairing, in CUGb the terminal 1 x 1 nucleotide UU internal loops now form two hydrogen-bonded pairs. Thus, the shift in the major groove induced by the 5' UU dangling end alters noncanonical base patterns. Collectively, these structures indicate that 1 x 1 nucleotide UU internal loops in DM1 may sample multiple conformations in vivo. This observation has implications for the recognition of this RNA, and other repeating transcripts, by protein and small molecule ligands.
Zhang, Miao; Xu, Yanyan; Lv, Jianguo; Yang, Lei; Jiang, Xishun; He, Gang; Song, Xueping; Sun, Zhaoqi
2014-01-01
Highly ordered TiO2 nanotube arrays (TiO2-NTAs), with a uniform tube size on titanium substrate, were obtained by means of reoxidation and annealing. A composite structure, CdSe quantum dots@TiO2 nanotube arrays (CdSe QDs@TiO2-NTAs), was fabricated by assembling CdSe quantum dots into TiO2-NTAs via cyclic voltammetry electrochemical deposition. The X-ray diffractometer (XRD), field-emission scanning electron microscope (SEM), and transmission electron microscope (TEM) were carried out for the determination of the composition and structure of the tubular layers. Optical properties were investigated by ultraviolet-visible spectrophotometer (UV-Vis). Photocurrent response under visible light illumination and photocatalytic activity of samples by degradation of methyl orange were measured. The results demonstrated that the photo absorption of the composite film shifted to the visible region, and the photocurrent intensity was greatly enhanced due to the assembly of CdSe QDs. Especially, photocurrent achieved a maximum of 1.853 μA/cm(2) after five voltammetry cycles of all samples. After irradiation under ultra violet-visible light for 2 h, the degradation rate of composition to methyl orange (MO) reached 88.20%, demonstrating that the CdSe QDs@TiO2-NTAs exhibited higher photocatalytic activity.
Structural analysis of the fracture surface of a heterogeneous body (quartz sandstone)
Vettegren', V. I.; Mamalimov, R. I.; Kulik, V. B.; Patonin, A. V.; Ponomarev, A. V.; Sobolev, G. A.; Shcherbakov, I. P.
2017-07-01
The structure of surface layers of quartz sandstone with a thickness of 1 μm before and after destruction by a compressive stress is studied by methods of infrared, photoluminescent, and Raman spectroscopy. Before destruction, this layer contained quartz grains cemented with montmorrillonite and kaolinite. The grains are covered with a thin water layer and have crystallographic defects: Si-O-, self-trapped excitons, AlOH and LiOH compounds, [AlO4]- centers, etc. The destructed surface contains separate quartz grains with sizes of 2 μm and a reduced defect concentration. It is assumed that the defects reduce the strength of quartz grains, which are destroyed in the first turn.
Golod, V. M.; Sufiiarov, V. Sh
2017-04-01
Gas atomization is a high-performance process for manufacturing superfine metal powders. Formation of the powder particles takes place primarily through the fragmentation of alloy melt flow with high-pressure inert gas, which leads to the formation of non-uniform sized micron-scale particles and subsequent their rapid solidification due to heat exchange with gas environment. The article presents results of computer modeling of crystallization process, simulation and experimental studies of the cellular-dendrite structure formation and microsegregation in different size particles. It presents results of adaptation of the approach for local nonequilibrium solidification to conditions of crystallization at gas atomization, detected border values of the particle size at which it is possible a manifestation of diffusionless crystallization.
Ulrich, R. N.; Mergelsberg, S. T.; Dove, P. M.
2016-12-01
Crustacean exoskeletons are a complex biocomposite of organic macromolecules and calcium carbonate minerals. The highly divergent functions and diverse morphologies of these biominerals across taxa raise the question of whether these differences are systematically reflected in exoskeleton composition and structure. Previous studies that investigated element concentrations in exoskeletons used spectroscopic methods. However, the findings were largely inconclusive because of analytical limitations and most studies concluded that magnesium, phosphorus, and other trace elements are mostly contained in the mineral fraction because concentrations in the organic framework could not be resolved. This experimental study was designed to quantify the distributions of Ca, P, Mg, and Sr in the mineral versus organic fractions of exoskeletons from the American Lobster (H. americanus), Dungeness Crab (M. magister), and Red Rock Crab (M. productus). Samples of exoskeleton from 10 body parts were collected in triplicate and dissolved using three procedures specific to extracting the 1) mineral, 2) protein, and 3) chitin phases separately. Chemical analyses of the resulting effluents using ICP-OES show the mineral fraction of the skeleton can contain significant amounts of mineralized Mg and P particularly for body parts associated with a significant difference in mineral structural ordering. The protein fraction contains more Mg and P than expected based on estimates from previous studies (Hild et al., 2008). While the element distributions vary greatly depending on the location, in body parts with thicker cuticle (e.g. claw) the mineral component appears to control overall composition. The findings have implications for paleoenvironmental reconstructions based upon exoskeleton composition. First, the chemical composition of an exoskeleton cannot be assumed constant across the different body parts of an entire organism. This is particularly true when the exoskeleton of the claw is
Heterogeneous terminal structure of Ty1 and Ty3 reverse transcripts.
Wilhelm, M; Heyman, T; Friant, S; Wilhelm, F X
1997-06-01
A specific terminal structure of preintegrative DNA is required for transposition of retroviruses and LTR-retrotransposons. We have used an anchored PCR technique to map the 3'ends of DNA intermediates synthesized inside yeast Ty1 and Ty3 retrotransposon virus-like particles. We find that, unlike retroviruses, Ty1 replicated DNA does not have two extra base pairs at its 3'ends. In contrast some Ty3 preintegrative DNA molecules have two extra nucleotides at the 3'end of upstream and downstream long terminal repeats. Moreover we find that some molecules of replicated Ty3 DNA have more than two extra nucleotides at the 3'end of the upstream LTR. This observation could be accounted for by imprecise RNAse H cutting of the PPT sequence. The site of Ty1 and Ty3 plus-strand strong-stop DNA termination was also examined. Our results confirm that the prominent Ty1 and Ty3 plus-strand strong-stop molecules harbor 12 tRNA templated bases but also show that some Ty1 and Ty3 plus-strand strong-stop DNA molecules harbor less tRNA templated bases. We propose that these less than full length plus-strand molecules could be active intermediates in Ty retrotransposon replication.
Platis, Andreas; Moene, Arnold F.; Villagrasa, Daniel Martínez; Beyrich, Frank; Tupman, David; Bange, Jens
2017-12-01
The turbulent structure parameters of temperature (C_T^2) and humidity (C_Q^2), and their cross-structure parameter (C_{QT}), are investigated using data collected with the airborne-measurement platform Helipod during the LITFASS-2003 campaign. The flights took place within the atmospheric surface layer over heterogeneous terrain including forests, a lake and farmland. We find variability in C_T^2 along such flight legs, with values of C_T^2 over forested surfaces one order of magnitude larger than over farmland, and two orders of magnitude larger than over the lake. However, a quantitative relationship between the magnitude of C_Q^2 and the surface type is not found, most likely due to a similar surface latent heat flux between the land-use types. However, when the different flight legs are taken together and data grouped by land-use type, values of C_Q^2 are significantly lower over the lake than over the other surfaces. A classification of C_{QT} is only possible between water and land surfaces, with lower values over water. We find the correlation coefficient R_{QT} in the range of 0.4-1.0, which is less than unity, and thus violates the assumption of unity in Monin-Obukhov similarity theory.
Millet, Antoine; Kristjánsson, Bjarni K; Einarsson, Árni; Räsänen, Katja
2013-01-01
Eco-evolutionary responses of natural populations to spatial environmental variation strongly depend on the relative strength of environmental differences/natural selection and dispersal/gene flow. In absence of geographic barriers, as often is the case in lake ecosystems, gene flow is expected to constrain adaptive divergence between environments – favoring phenotypic plasticity or high trait variability. However, if divergent natural selection is sufficiently strong, adaptive divergence can occur in face of gene flow. The extent of divergence is most often studied between two contrasting environments, whereas potential for multimodal divergence is little explored. We investigated phenotypic (body size, defensive structures, and feeding morphology) and genetic (microsatellites) structure in threespine stickleback (Gasterosteus aculeatus) across five habitat types and two basins (North and South) within the geologically young and highly heterogeneous Lake Mývatn, North East Iceland. We found that (1) North basin stickleback were, on average, larger and had relatively longer spines than South basin stickleback, whereas (2) feeding morphology (gill raker number and gill raker gap width) differed among three of five habitat types, and (3) there was only subtle genetic differentiation across the lake. Overall, our results indicate predator and prey mediated phenotypic divergence across multiple habitats in the lake, in face of gene flow. PMID:24223263
Ruehl, Christopher R; Nah, Theodora; Isaacman, Gabriel; Worton, David R; Chan, Arthur W H; Kolesar, Katheryn R; Cappa, Christopher D; Goldstein, Allen H; Wilson, Kevin R
2013-05-16
Insights into the influence of molecular structure and thermodynamic phase on the chemical mechanisms of hydroxyl radical-initiated heterogeneous oxidation are obtained by identifying reaction products of submicrometer particles composed of either n-octacosane (C28H58, a linear alkane) or squalane (C30H62, a highly branched alkane) and OH. A common pattern is observed in the positional isomers of octacosanone and octacosanol, with functionalization enhanced toward the end of the molecule. This suggests that relatively large linear alkanes are structured in submicrometer particles such that their ends are oriented toward the surface. For squalane, positional isomers of first-generation ketones and alcohols also form in distinct patterns. Ketones are favored on carbons adjacent to tertiary carbons, while hydroxyl groups are primarily found on tertiary carbons but also tend to form toward the end of the molecule. Some first-generation products, viz., hydroxycarbonyls and diols, contain two oxygen atoms. These results suggest that alkoxy radicals are important intermediates and undergo both intramolecular (isomerization) and intermolecular (chain propagation) hydrogen abstraction reactions. Oxidation products with carbon number less than the parent alkane's are observed to a much greater extent for squalane than for n-octacosane oxidation and can be explained by the preferential cleavage of bonds involving tertiary carbons.
Screening in graphene antidot lattices
DEFF Research Database (Denmark)
Schultz, Marco Haller; Jauho, A. P.; Pedersen, T. G.
2011-01-01
We compute the dynamical polarization function for a graphene antidot lattice in the random-phase approximation. The computed polarization functions display a much more complicated structure than what is found for pristine graphene (even when evaluated beyond the Dirac-cone approximation...... the plasmon dispersion law and find an approximate square-root dependence with a suppressed plasmon frequency as compared to doped graphene. The plasmon dispersion is nearly isotropic and the developed approximation schemes agree well with the full calculation....
Spin qubits in antidot lattices
DEFF Research Database (Denmark)
Pedersen, Jesper Goor; Flindt, Christian; Mortensen, Niels Asger
2008-01-01
We suggest and study designed defects in an otherwise periodic potential modulation of a two-dimensional electron gas as an alternative approach to electron spin based quantum information processing in the solid-state using conventional gate-defined quantum dots. We calculate the band structure...... electron transport between distant defect states in the lattice, and for a tunnel coupling of neighboring defect states with corresponding electrostatically controllable exchange coupling between different electron spins....
Covariant lattice glueball fields
Mandula, Jeffrey E.; Zweig, George; Govaerts, Jan
1983-11-01
Fields for the creation and annihilation of gluons and glueballs, which transform irreducibly under the four-dimensional lattice rotation reflection and charge conjugation symmetry groups, are defined and discussed. The fields reduce in the zero lattice spacing limit to conventional continuum operators of definite spin, parity, and charge comjugation.
Covariant lattice glueball fields
Energy Technology Data Exchange (ETDEWEB)
Mandula, J.E.; Zweig, G.; Govaerts, J.
1983-11-15
Fields for the creation and annihilation of gluons and glueballs, which transform irreducibly under the four-dimensional lattice rotation reflection and charge conjugation symmetry groups, are defined and discussed. The fields reduce in the zero lattice spacing limit to conventional continuum operators of definite spin, parity, and charge conjugation.
DEFF Research Database (Denmark)
Risager, Morten S.; Södergren, Carl Anders
2017-01-01
It is well known that the angles in a lattice acting on hyperbolic n -space become equidistributed. In this paper we determine a formula for the pair correlation density for angles in such hyperbolic lattices. Using this formula we determine, among other things, the asymptotic behavior of the den...
Dissipative photonic lattice solitons.
Ultanir, Erdem A; Stegeman, George I; Christodoulides, Demetrios N
2004-04-15
We show that discrete dissipative optical lattice solitons are possible in waveguide array configurations that involve periodically patterned semiconductor optical amplifiers and saturable absorbers. The characteristics of these low-power soliton states are investigated, and their propagation constant eigenvalues are mapped on Floquet-Bloch band diagrams. The prospect of observing such low-power dissipative lattice solitons is discussed in detail.
Lattice-induced modulators at terahertz frequencies.
Naranjo, Guillermo A; Peralta, Xomalin G
2017-12-01
We measured the transmission spectra of an array of split-ring resonators (SRRs) up to 10 terahertz for parallel and perpendicular polarizations. Calculations of the lattice and plasmon mode dispersion relations, in combination with electromagnetic simulations, confirm the presence of multiple higher-order lattice and plasmon modes. We modify the quality factor of higher-order plasmon resonances by modulating the lattice-plasmon mode coupling via changes in the period of the array. We also propose single frequency switches and a broadband dual-state amplitude modulator based on structured illumination that actively modifies the period of the SRR array.
Structural heterogeneities in the source area of the Mw 7.9 2008 Wenchuan Earthquake, China
Wang, Z.; Fukao, Y.; Pei, S.
2008-12-01
The Mw 7.9 Wenchuan Earthquake occurred on May 12, 2008 (06:28:01 UTC) in the Longmen-Shan fault zone at the eastern margin of Tibet and adjacent to the Sichuan foreland basin, where as much as 9 m of coseismic slip was observed. This is the most significant earthquake to have struck China since the 1976 Tangshan Earthquake (Mw 7.6). Chinese authorities estimated more than 69,000 people were killed and 374,176 injured. About 1,485,000 people were forced into temporary shelters (http://www.gov.cn). The coseismic faulting zone coincides roughly with this aftershock distribution. The extent of the great damage may have resulted from the variation of crustal structures along the tectonic thrust faulting and strike slipping zone, causing significant coseismic displacement and acceleration on a regional scale. For a better understanding of what may have triggered this earthquake and how the rupture proceeded after the initiation, we conducted an investigation of the seismic structure in the Wenchuan earthquake source area. A large number of arrival time data of P and Pn, S and Sn phases from local earthquakes were collected and inverted jointly for the three-dimensional P- and S-wave velocity (Vp and Vs) models. The Poisson's ratio model was then calculated from these velocity models. The overall patterns of Vp and Vs anomalies are similar to each other at any of these three depths. The Sichuan Basin is a distinct entity in tomographic images, anomalously slow at 13 km depth and anomalously fast at 20 km depth, in sharp contrast to the anomalies on the mountain side across the Longmen-Shan fault zone. The area of the fault zone is characterized in general by high Vp and Vs anomalies at a depth of 13 km, although a low Vp and Vs anomaly patch is present in the middle of a total fault length of 300 km. At depths around 20 km, low Vp and Vs anomalies dominate on the mountain side including its eastern margin, where the shallower (˜13 km) and deeper (˜30 km) depths are
Molecular Structures and Sorption Mechanisms of Biochars as Heterogeneous Carbon Materials
Chen, Baoliang; Chen, Zaiming; Xiao, Xin; Fang, Qile
2015-04-01
Surface functional groups such as carboxyl play a vital role in the environmental applications of biochar as a soil amendment. However, the quantification of oxygen-containing groups on a biochar surface still lacks systematical investigation. An integrated method combining chemical and spectroscopic techniques was established to quantitatively identify the chemical states, dissociation constants (pKa), and contents of oxygen-containing groups on dairy manure-derived biochars prepared at 100-700 °C. The dissociation pH of carboxyl groups on the biochar surface covered a wide range of pH values (pH 2-11), due to the varied structural micro-environments and chemical states. For low temperature biochars (≤350 °C), carboxyl existed not only as hydrogen-bonded carboxyl and unbonded carboxyl groups but also formed esters at the surface of biochars. The esters consumed OH‒ via saponification in the alkaline pH region and enhanced the dissolution of organic matter from biochars. For high temperature biochars (≥500 °C), esters came from carboxyl were almost eliminated via carbonization (ester pyrolysis), while lactones were developed. The surface density of carboxyl groups on biochars decreased sharply with the increase of the biochar-producing temperature, but the total contents of the surface carboxyls for different biochars were comparable (with a difference properties of biochars. The resulting surface charges regulate biochars in nutrient retention, sorption/immobilization of hazardous pollutants and biochar particle dispersing properties. Meanwhile, dissociation of acid/base groups affects carbon and silica biogeochemical cycling by regulating the release of organic matter from the cleavage of esters and dissolution of the Si-containing minerals. For high temperature biochars (i.e., DM500 and DM700), the effect of acid/base dissociation on organic matter dissolution is eliminated, but other functions are similar. CGs are the major acid/base groups on biochar
Disconnected Diagrams in Lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Gambhir, Arjun [College of William and Mary, Williamsburg, VA (United States)
2017-08-01
In this work, we present state-of-the-art numerical methods and their applications for computing a particular class of observables using lattice quantum chromodynamics (Lattice QCD), a discretized version of the fundamental theory of quarks and gluons. These observables require calculating so called \\disconnected diagrams" and are important for understanding many aspects of hadron structure, such as the strange content of the proton. We begin by introducing the reader to the key concepts of Lattice QCD and rigorously define the meaning of disconnected diagrams through an example of the Wick contractions of the nucleon. Subsequently, the calculation of observables requiring disconnected diagrams is posed as the computationally challenging problem of finding the trace of the inverse of an incredibly large, sparse matrix. This is followed by a brief primer of numerical sparse matrix techniques that overviews broadly used methods in Lattice QCD and builds the background for the novel algorithm presented in this work. We then introduce singular value deflation as a method to improve convergence of trace estimation and analyze its effects on matrices from a variety of fields, including chemical transport modeling, magnetohydrodynamics, and QCD. Finally, we apply this method to compute observables such as the strange axial charge of the proton and strange sigma terms in light nuclei. The work in this thesis is innovative for four reasons. First, we analyze the effects of deflation with a model that makes qualitative predictions about its effectiveness, taking only the singular value spectrum as input, and compare deflated variance with different types of trace estimator noise. Second, the synergy between probing methods and deflation is investigated both experimentally and theoretically. Third, we use the synergistic combination of deflation and a graph coloring algorithm known as hierarchical probing to conduct a lattice calculation of light disconnected matrix elements
Abbruzzetti, Stefania; He, Chunmao; Ogata, Hideaki; Bruno, Stefano; Viappiani, Cristiano; Knipp, Markus
2012-06-20
NO is an important signaling molecule in human tissue. However, the mechanisms by which this molecule is controlled and directed are currently little understood. Nitrophorins (NPs) comprise a group of ferriheme proteins originating from blood-sucking insects that are tailored to protect and deliver NO via coordination to and release from the heme iron. Therefore, the kinetics of the association and dissociation reactions were studied in this work using the ferroheme-CO complexes of NP4, NP4(D30N), and NP7 as isoelectronic models for the ferriheme-NO complexes. The kinetic measurements performed by nanosecond laser-flash-photolysis and stopped-flow are accompanied by resonance Raman and FT-IR spectroscopy to characterize the carbonyl species. Careful analysis of the CO rebinding kinetics reveals that in NP4 and, to a larger extent, NP7 internal gas binding cavities are located, which temporarily trap photodissociated ligands. Moreover, changes in the free energy barriers throughout the rebinding and release pathway upon increase of the pH are surprisingly small in case of NP4. Also in case of NP4, a heterogeneous kinetic trace is obtained at pH 7.5, which corresponds to the presence of two carbonyl species in the heme cavity that are seen in vibrational spectroscopy and that are due to the change of the distal heme pocket polarity. Quantification of the two species from FT-IR spectra allowed the fitting of the kinetic traces as two processes, corresponding to the previously reported open and closed conformation of the A-B and G-H loops. With the use of the A-B loop mutant NP4(D30N), it was confirmed that the kinetic heterogeneity is controlled by pH through the disruption of the H-bond between the Asp30 side chain and the Leu130 backbone carbonyl. Overall, this first study on the slow phase of the dynamics of diatomic gas molecule interaction with NPs comprises an important experimental contribution for the understanding of the dynamics involved in the binding
Heterogeneity in magnetic complex oxides
Arenholz, Elke
Heterogeneity of quantum materials on the nanoscale can result from the spontaneous formation of regions with distinct atomic, electronic and/or magnetic order, and indicates coexistence of competing quantum phases. In complex oxides, the subtle interplay of lattice, charge, orbital, and spin degrees of freedom gives rise to especially rich phase diagrams. For example, coexisting conducting and insulating phases can occur near metal-insulator transitions, colossal magnetoresistance can emerge where ferromagnetic and antiferromagnetic domains compete, and charge-ordered and superconducting regions are present simultaneously in materials exhibiting high-temperature superconductivity. Additionally, externally applied fields (electric, magnetic, or strain) or other external excitations (light or heat) can tip the energy balance towards one phase, or support heterogeneity and phase coexistence and provide the means to perturb and tailor quantum heterogeneity at the nanoscale. Engineering nanomaterials, with structural, electronic and magnetic characteristics beyond what is found in bulk materials, is possible today through the technique of thin film epitaxy, effectively a method of `spray painting' atoms on single crystalline substrates to create precisely customized layered structures with atomic arrangements defined by the underlying substrate. Charge transfer and spin polarization across interfaces as well as imprinting nanoscale heterogeneity between adjacent layers lead to intriguing and important new phenomena testing our understanding of basic physics and creating new functionalities. Moreover, the abrupt change of orientation of an order parameter between nanoscale domains can lead to unique phases that are localized at domain walls, including conducting domain walls in insulating ferroelectrics, and ferromagnetic domain walls in antiferromagnets. Here we present our recent results on tailoring the electronic anisotropy of multiferroic heterostructures by
Multilayer DNA Origami Packed on Hexagonal and Hybrid Lattices
DEFF Research Database (Denmark)
Ke, Yonggang; Voigt, Niels Vinther; Shih, William M.
2012-01-01
“Scaffolded DNA origami” has been proven to be a powerful and efficient approach to construct two-dimensional or three-dimensional objects with great complexity. Multilayer DNA origami has been demonstrated with helices packing along either honeycomb-lattice geometry or square-lattice geometry. H...... DNA origami with honeycomb-lattice, square-lattice, and hexagonal-lattice packing of helices all in one design. The availability of hexagonal close-packing of helices extends our ability to build complex structures using DNA nanotechnology....
Benson, John F; Patterson, Brent R; Wheeldon, Tyler J
2012-12-01
Eastern wolves have hybridized extensively with coyotes and gray wolves and are listed as a 'species of special concern' in Canada. However, a distinct population of eastern wolves has been identified in Algonquin Provincial Park (APP) in Ontario. Previous studies of the diverse Canis hybrid zone adjacent to APP have not linked genetic analysis with field data to investigate genotype-specific morphology or determine how resident animals of different ancestry are distributed across the landscape in relation to heterogeneous environmental conditions. Accordingly, we studied resident wolves and coyotes in and adjacent to APP to identify distinct Canis types, clarify the extent of the APP eastern wolf population beyond the park boundaries and investigate fine-scale spatial genetic structure and landscape-genotype associations in the hybrid zone. We documented three genetically distinct Canis types within the APP region that also differed morphologically, corresponding to putative gray wolves, eastern wolves and coyotes. We also documented a substantial number of hybrid individuals (36%) that were admixed between 2 or 3 of the Canis types. Breeding eastern wolves were less common outside of APP, but occurred in some unprotected areas where they were sympatric with a diverse combination of coyotes, gray wolves and hybrids. We found significant spatial genetic structure and identified a steep cline extending west from APP where the dominant genotype shifted abruptly from eastern wolves to coyotes and hybrids. The genotypic pattern to the south and northwest was a more complex mosaic of alternating genotypes. We modelled genetic ancestry in response to prey availability and human disturbance and found that individuals with greater wolf ancestry occupied areas of higher moose density and fewer roads. Our results clarify the structure of the Canis hybrid zone adjacent to APP and provide unique insight into environmental conditions influencing hybridization dynamics between
Directory of Open Access Journals (Sweden)
Engelke C.
2017-06-01
Full Text Available Structural change towards services becomes exigent when the sales do not meet operational direction anymore. Thus, the a priori strong heterogeneity in German retail horticulture (GRH requires knowledge in the interaction of relevant internal parameters to find the best individual combination. On this account, the present paper has two goals: First, to systematise relevant, internal characteristics (contingency, considering previous research, by running a confirmatory factor analysis. Second, we investigate the impact of the service variety on the organizational structure and economic parameters, in order to find the right combination for GRH by running regression analysis. Based on a previous exploratory study, 283 retail nurseries were asked questions in an online survey and their answers were interpreted in a quantitative way. Part 1: We gave proof that relevant situational characteristics on GRH include size, level of controlling, experience and service variety as internal factor variables, showing high eigenvalues. Part 2: We found causal relationships between the service variety and the number of hierarchy, span of control and hierarchy configuration (H1. The size is also of significant importance but on a minor level. Size faces positive correlation on delegation (H2, and the size and the level of controlling also have adequate impact on the sales volume. Meanwhile the configuration variables have no impact on the sales volume. This means that sales volume is related to the size and the level of controlling but independent of the configuration. Accordingly, there is no coordinated interaction of contingency, structure and delegation variables with impact on the sales volumes (H3. Structural delegations on sales volume are significantly acquisition/ marketing and planning as operational performance-variables, which are mostly done by the owner/CEO himself. These tasks show negative coefficients, which lead to the proposal that with growing
Lattice QCD and the Jefferson Laboratory Program
Energy Technology Data Exchange (ETDEWEB)
Jozef Dudek, Robert Edwards, David Richards, Konstantinos Orginos
2011-06-01
Lattice gauge theory provides our only means of performing \\textit{ab initio} calculations in the non-perturbative regime. It has thus become an increasing important component of the Jefferson Laboratory physics program. In this paper, we describe the contributions of lattice QCD to our understanding of hadronic and nuclear physics, focusing on the structure of hadrons, the calculation of the spectrum and properties of resonances, and finally on deriving an understanding of the QCD origin of nuclear forces.
Slip systems, lattice rotations and dislocation boundaries
DEFF Research Database (Denmark)
Winther, Grethe
2008-01-01
Plastic deformation by slip induces rotations of the crystallographic lattice and evolution of dislocation structures. Both lattice rotations and dislocation structures exhibit a dependence on the grain orientation, which reflects underlying relations to the slip pattern. Relations between the type...... of dislocation structure formed, in particular the crystallographic alignment of dislocation boundaries, and the slip pattern are demonstrated. These relations are applied to polycrystals deformed in tension and rolling, producing good agreement with experiment for rolling but less good agreement for tension...... of these discrepancies is discussed. Finally, the implications of the relations between slip and dislocation structures for the modelling of mechanical properties are discussed....
PT-symmetry in kagome photonic lattices
Chern, Gia-Wei; Saxena, Avadh
2017-08-01
Photonic lattices composed of balanced gain and loss waveguides have attracted considerable attention due of their potential applications in optical beam engineering and image processing. These photonic lattices belong to a larger class of intriguing active metamaterials that exhibit the parity-time ( ) symmetry. Kagome lattice is a two-dimensional network of corner-sharing triangles and is often associated with geometrical frustration. In particular, the frustrated coupling between waveguide modes in a kagome array leads to a dispersionless flat band consisting of spatially localized modes. Recently, a -symmetric photonics lattice based on the kagome structure has been proposed by placing -symmetric dimers at the kagome lattice points. Each dimer corresponds to a pair of strongly coupled waveguides. With balanced arrangement of gain and loss on individual dimers, the system exhibits a -symmetric phase for finite gain/loss parameter up to a critical value. Here we discuss the linear and nonlinear optical beam propagations in this novel -symmetric kagome system. The linear beam evolution in this complex kagome waveguide array exhibits a novel oscillatory rotation of optical power along the propagation distance. Long-lived local chiral structures originating from the nearly flat bands of the kagome structure are observed when the lattice is subject to a narrow beam excitation. We further show that inclusion of Kerr-type nonlinearity leads to novel optical solitons.
Solitary waves on tensegrity lattices
Fraternali, F.; Senatore, L.; Daraio, C.
2012-06-01
We study the dynamics of lattices formed by masses connected through tensegrity prisms. By employing analytic and numerical arguments, we show that such structures support two limit dynamic regimes controlled by the prisms' properties: (i) in the low-energy (sonic) regime the system supports the formation and propagation of solitary waves which exhibit sech2 shape and (ii) in the high-energy (ultrasonic) regime the system supports atomic-scale localization. Such peculiar features found in periodic arrays of tensegrity structures suggest their use for the creation of new composite materials (here called "tensegrity materials") of potential interest for applications in impact absorption, energy localization and in new acoustic devices.
Fricker, G. A.; Wolf, J. A.; Gillespie, T.; Meyer, V.; Hubbell, S. P.; Santo, F. E.; Saatchi, S. S.
2013-12-01
Large tropical canopy trees contain the majority of forest biomass in addition to being the primary producers in the forest ecosystem in terms of both food and structural habitat. The spatial distributions of large tropical trees are non-randomly distributed across environmental gradients in light, water and nutrients. These environmental gradients are a result of the biophysical processes related to topography and three-dimensional forest structure. In this study we examine large (>10 cm) diameter tree species richness across Barro Colorado Nature Monument in a tropical moist forest in Panama using active and passive remote sensing. Airborne light detection and ranging and high-resolution satellite imagery were used to quantify spectral heterogeneity, sub-canopy topography and vertical canopy structure across existing vegetation plots to model the extent to which remote sensing variables can be used to explain variation in large tree species richness. Plant species richness data was calculated from the stem mapped 50-ha forest dynamics plot on Barro Colorado Island in addition to 8 large tree plots across the Barro Colorado Nature Monument at 1.0 ha and 0.25 ha spatial scales. We investigated four statistical models to predict large tree species richness including spectral, topographic, vertical canopy structure and a combined ';global' model which includes all remote sensing derived variables. The models demonstrate that remote sensing derived variables can capture a significant fraction (R2= 0.54 and 0.36) of observed variation in tree species richness across the 1.0 and 0.25 ha spatial scales respectively. A selection of remote sensing derived predictor variables. A) World View-2 satellite imagery in RGB/true color. B) False color image of the principal component analysis. C) Normalized Difference Vegetation Index (NDVI). D) Simple Ratio Index. E) Quickbird satellite imagery in RGB/true color. F) False color image of the principal component analysis. G) NDVI. H
Architecture and Function of Mechanosensitive Membrane Protein Lattices
Kahraman, Osman; Klug, William S; Haselwandter, Christoph A
2016-01-01
Experiments have revealed that membrane proteins can form two-dimensional clusters with regular translational and orientational protein arrangements, which may allow cells to modulate protein function. However, the physical mechanisms yielding supramolecular organization and collective function of membrane proteins remain largely unknown. Here we show that bilayer-mediated elastic interactions between membrane proteins can yield regular and distinctive lattice architectures of protein clusters, and may provide a link between lattice architecture and lattice function. Using the mechanosensitive channel of large conductance (MscL) as a model system, we obtain relations between the shape of MscL and the supramolecular architecture of MscL lattices. We predict that the tetrameric and pentameric MscL symmetries observed in previous structural studies yield distinct lattice architectures of MscL clusters and that, in turn, these distinct MscL lattice architectures yield distinct lattice activation barriers. Our res...
Introduction to Louis Michel's lattice geometry through group action
Zhilinskii, Boris
2015-01-01
Group action analysis developed and applied mainly by Louis Michel to the study of N-dimensional periodic lattices is the central subject of the book. Different basic mathematical tools currently used for the description of lattice geometry are introduced and illustrated through applications to crystal structures in two- and three-dimensional space, to abstract multi-dimensional lattices and to lattices associated with integrable dynamical systems. Starting from general Delone sets the authors turn to different symmetry and topological classifications including explicit construction of orbifolds for two- and three-dimensional point and space groups. Voronoï and Delone cells together with positive quadratic forms and lattice description by root systems are introduced to demonstrate alternative approaches to lattice geometry study. Zonotopes and zonohedral families of 2-, 3-, 4-, 5-dimensional lattices are explicitly visualized using graph theory approach. Along with crystallographic applications, qualitative ...
Energy Technology Data Exchange (ETDEWEB)
Coddington, P.; Hey, A.; Mandula, J.; Ogilvie, M.
1987-10-22
The fermion propagator in the Landau gauge is calculated for a U(1) lattice gauge theory. In the confined, strong coupling phase, the propagator resembles that of a massive particle. In the weak coupling phase, the propagator is that of a massless particle. An abrupt change occurs at the transition point. The results are compared to simulations of the gluon propagator in SU(3) lattice gauge theory.
Coddington, P.; Hey, A.; Mandula, J.; Ogilvie, M.
1987-10-01
The photon propagator in the Landau gauge is calculated for a U(1) lattice gauge theory. In the confined, strong coupling phase, the propagator resembles that of a massive particle. In the weak coupling phase, the propagator is that of a massless particle. An abrupt change occurs at the transition point. The results are compared to simulations of the gluon propagator in SU(3) lattice gauge theory.
Automated Lattice Perturbation Theory
Energy Technology Data Exchange (ETDEWEB)
Monahan, Christopher
2014-11-01
I review recent developments in automated lattice perturbation theory. Starting with an overview of lattice perturbation theory, I focus on the three automation packages currently "on the market": HiPPy/HPsrc, Pastor and PhySyCAl. I highlight some recent applications of these methods, particularly in B physics. In the final section I briefly discuss the related, but distinct, approach of numerical stochastic perturbation theory.
Barreteau, C.; Ducastelle, F.; Mallah, T.
2017-11-01
We present a thorough tight-binding analysis of the band structure of a wide variety of lattices belonging to the class of honeycomb and Kagome systems including several mixed forms combining both lattices. The band structure of these systems are made of a combination of dispersive and flat bands. The dispersive bands possess Dirac cones (linear dispersion) at the six corners (K points) of the Brillouin zone although in peculiar cases Dirac cones at the center of the zone (Γ point) appear. The flat bands can be of different nature. Most of them are tangent to the dispersive bands at the center of the zone but some, for symmetry reasons, do not hybridize with other states. The objective of our work is to provide an analysis of a wide class of so-called ligand-decorated honeycomb Kagome lattices that are observed in a 2D metal-organic framework where the ligand occupy honeycomb sites and the metallic atoms the Kagome sites. We show that the p x -p y graphene model is relevant in these systems and there exists four types of flat bands: Kagome flat (singly degenerate) bands, two kinds of ligand-centered flat bands (A2 like and E like, respectively doubly and singly degenerate) and metal-centered (three fold degenerate) flat bands.
Solenoidal ionization cooling lattices
Directory of Open Access Journals (Sweden)
R. C. Fernow
2007-06-01
Full Text Available We explore a practical approach for designing ionization cooling channels with periodic solenoidal focusing. We examine the lattice characteristics in terms of the properties of the coils and the cell geometry. The peak magnetic field in the coils is an important engineering constraint in lattice design. We examine the dependence of the peak field, momentum passband locations, and the beta function on the coil parameters. We make a systematic examination of all allowed lattice configurations taking into account the symmetry properties of the current densities and the beta function. We introduce a unique classification for comparing cooling lattice configurations. While solutions with a single coil per cell illustrate most of the effects that are important for cooling channel design, the introduction of additional coils allows more flexibility in selecting the lattice properties. We look at example solutions for the problem of the initial transverse cooling stage of a neutrino factory or muon collider and compare our results with the properties of some published cooling lattice designs. Scaling laws are used to compare solutions from different symmetry classes.
Indra, Sandipa; Guchhait, Biswajit; Biswas, Ranjit
2016-03-28
We have performed steady state UV-visible absorption and time-resolved fluorescence measurements and computer simulations to explore the cosolvent mole fraction induced changes in structural and dynamical properties of water/dioxane (Diox) and water/tetrahydrofuran (THF) binary mixtures. Diox is a quadrupolar solvent whereas THF is a dipolar one although both are cyclic molecules and represent cycloethers. The focus here is on whether these cycloethers can induce stiffening and transition of water H-bond network structure and, if they do, whether such structural modification differentiates the chemical nature (dipolar or quadrupolar) of the cosolvent molecules. Composition dependent measured fluorescence lifetimes and rotation times of a dissolved dipolar solute (Coumarin 153, C153) suggest cycloether mole-fraction (X(THF)/Diox) induced structural transition for both of these aqueous binary mixtures in the 0.1 ≤ X(THF)/Diox ≤ 0.2 regime with no specific dependence on the chemical nature. Interestingly, absorption measurements reveal stiffening of water H-bond structure in the presence of both the cycloethers at a nearly equal mole-fraction, X(THF)/Diox ∼ 0.05. Measurements near the critical solution temperature or concentration indicate no role for the solution criticality on the anomalous structural changes. Evidences for cycloether aggregation at very dilute concentrations have been found. Simulated radial distribution functions reflect abrupt changes in respective peak heights at those mixture compositions around which fluorescence measurements revealed structural transition. Simulated water coordination numbers (for a dissolved C153) and number of H-bonds also exhibit minima around these cosolvent concentrations. In addition, several dynamic heterogeneity parameters have been simulated for both the mixtures to explore the effects of structural transition and chemical nature of cosolvent on heterogeneous dynamics of these systems. Simulated four
An analytical study of double bend achromat lattice
Energy Technology Data Exchange (ETDEWEB)
Fakhri, Ali Akbar, E-mail: fakhri@rrcat.gov.in; Kant, Pradeep; Singh, Gurnam; Ghodke, A. D. [Raja Ramanna Centre for Advanced Technology, Indore 452 013 (India)
2015-03-15
In a double bend achromat, Chasman-Green (CG) lattice represents the basic structure for low emittance synchrotron radiation sources. In the basic structure of CG lattice single focussing quadrupole (QF) magnet is used to form an achromat. In this paper, this CG lattice is discussed and an analytical relation is presented, showing the limitation of basic CG lattice to provide the theoretical minimum beam emittance in achromatic condition. To satisfy theoretical minimum beam emittance parameters, achromat having two, three, and four quadrupole structures is presented. In this structure, different arrangements of QF and defocusing quadruple (QD) are used. An analytical approach assuming quadrupoles as thin lenses has been followed for studying these structures. A study of Indus-2 lattice in which QF-QD-QF configuration in the achromat part has been adopted is also presented.
Energy Technology Data Exchange (ETDEWEB)
Jehle, Stefan [Freie Univ., Berlin (Germany); Leibniz Inst. for Molecular Pharmacology, Berlin (Germany); van Rossum, Barth [Leibniz Inst. for Molecular Pharmacology, Berlin (Germany); Stout, Joseph R. [Univ. of Washington, Seattle, WA (United States); Noguchi, Satoshi M. [Univ. of Washington, Seattle, WA (United States); Falber, Katja [Leibniz Inst. for Molecular Pharmacology, Berlin (Germany); Rehbein, Kristina [Leibniz Inst. for Molecular Pharmacology, Berlin (Germany); Oschkinat, Hartmut [Freie Univ., Berlin (Germany); Leibniz Inst. for Molecular Pharmacology, Berlin (Germany); Klevit, Rachel E. [Univ. of Washington, Seattle, WA (United States); Rajagopal, Ponni [Univ. of Washington, Seattle, WA (United States)
2008-11-14
Atomic-level structural information on αB-Crystallin (αB), a prominent member of the small heat-shock protein family, has been a challenge to obtain due its polydisperse oligomeric nature. We show that magic-angle spinning solid-state NMR can be used to obtain high-resolution information on an ~580-kDa human αB assembled from 175-residue 20-kDa subunits. An ~100-residue α-crystallin domain is common to all small heat-shock proteins, and solution-state NMR was performed on two different α- crystallin domain constructs isolated from αB. In vitro, the chaperone-like activities of full-length αB and the isolated α-crystallin domain are identical. Chemical shifts of the backbone and C^{β }resonances have been obtained for residues 64–162 (α-crystallin domain plus part of the C-terminus) in αB and the isolated α-crystallin domain by solid-state and solution-state NMR, respectively. Both sets of data strongly predict six β-strands in the α-crystallin domain. A majority of residues in the α-crystallin domain have similar chemical shifts in both solid-state and solution-state, indicating similar structures for the domain in its isolated and oligomeric forms. Sites of intersubunit interaction are identified from chemical shift differences that cluster to specific regions of the α-crystallin domain. Multiple signals are observed for the resonances of M68 in the oligomer, identifying the region containing this residue as existing in heterogeneous environments within αB. Evidence for a novel dimerization motif in the human α-crystallin domain is obtained by a comparison of (i) solid-state and solution-state chemical shift data and (ii) ^{1}H–^{15}N heteronuclear single quantum coherence spectra as a function of pH. The isolated α-crystallin domain undergoes a dimer–monomer transition over the pH range 7.5–6.8. This steep pHdependent switch may be important for αB to function optimally (e.g., to preserve the filament integrity
Directory of Open Access Journals (Sweden)
Martin-Michel Gauthier
2015-02-01
Full Text Available We evaluated the effectiveness of commercial thinning mainly from below (CT; 0, 26%, 32% and 40% merchantable basal area removals in meeting wood production demands and developing structural heterogeneity in a balsam fir (Abies balsamea (L. Mill and spruce (Picea spp. stand. After 10 years, 32%–40% removals showed a 12%–18% increase in mean diameter and 27%–38% increase in gross merchantable volume (GMV per tree compared to the unthinned control. At the stand level, all thinning treatments generated as much cumulative GMV (harvested volume + GMV after 10 years and gross sawlog volume per hectare as the unthinned control. As for stand structure, eight out of nine thinned experimental units showed increased structural heterogeneity after 10 years, i.e., irregular, positively-skewed diameter distribution with an elongated right tail toward larger trees. The diameter distribution in the unthinned control became more symmetric, unimodal and regular over time, with fewer saplings than at the beginning of the experiment and lower density of larger trees compared to CT. Regeneration density and stocking were abundant in all treatments, largely dominated by balsam fir. Results indicate that thinning can be used to meet wood production objectives and help develop structural heterogeneity in this forest.
Errandonea, Daniel; Muñoz, Alfonso; Rodríguez-Hernández, Placida; Proctor, John E; Sapiña, Fernando; Bettinelli, Marco
2015-08-03
The crystal structures, lattice vibrations, and electronic band structures of PbCrO4, PbSeO4, SrCrO4, and SrSeO4 were studied by ab initio calculations, Raman spectroscopy, X-ray diffraction, and optical-absorption measurements. Calculations properly describe the crystal structures of the four compounds, which are isomorphic to the monazite structure and were confirmed by X-ray diffraction. Information is also obtained on the Raman- and IR-active phonons, with all of the vibrational modes assigned. In addition, the band structures and electronic densities of states of the four compounds were determined. All are indirect-gap semiconductors. In particular, chromates are found to have band gaps smaller than 2.5 eV and selenates higher than 4.3 eV. In the chromates (selenates), the upper part of the valence band is dominated by O 2p states and the lower part of the conduction band is composed primarily of electronic states associated with the Cr 3d and O 2p (Se 4s and O 2p) states. Calculations also show that the band gap of PbCrO4 (PbSeO4) is smaller than the band gap of SrCrO4 (SrSeO4). This phenomenon is caused by Pb states, which, to some extent, also contribute to the top of the valence band and the bottom of the conduction band. The agreement between experiments and calculations is quite good; however, the band gaps are underestimated by calculations, with the exception of the bang gap of SrCrO4, for which theory and calculations agree. Calculations also provide predictions of the bulk modulus of the studied compounds.
Nonlinear dynamics of bistable lattices with defects
Hwang, Myungwon; Arrieta, Andres F.
2017-04-01
Heterogeneity in a lattice system has gained continued attention from researchers due to its ability to support interesting localized dynamics and engineering applications. Most studies on the influence of the defects have been done in a one-dimensional monoatomic chain with both linear and nonlinear interactions. However, analysis of defect dynamics in a lattice under on-site potential is still a rare finding. Recently, extreme wave propagation has been demonstrated theoretically and experimentally on a bi-stable lattice with magnetic inter-site force, featuring quartic on-site potential. In this work, the nonlinear dynamics of introducing engineered defects in the form of mass impurities and inter-site forcing disparities on lattices of bi-stable elements are studied. We investigate the effect of the defect presence on the local wave propagation speed and identify the critical conditions that governs the stable propagation of transition waves. With the control of damping, we further observe a special satellite region, where stable transition of wave with intermediate jumps between the stable states of the local unit cell occurs.
Exceptional Point Dynamics in Photonic Honeycomb Lattices with PT Symmetry
Ramezani, Hamidreza; Kottos, Tsampikos; Kovanis, Vassilios; Christodoulides, Demetrios N.
2011-01-01
We theoretically investigate the flow of electromagnetic waves in complex honeycomb photonic lattices with local PT symmetries. Such PT structure is introduced via a judicious arrangement of gain or loss across the honeycomb lattice, characterized by a gain/loss parameter \\gamma. We found a new class of conical diffraction phenomena where the formed cone is brighter and travels along the lattice with a transverse speed proportional to Sqrt (\\gamma).
Energy Technology Data Exchange (ETDEWEB)
Guengerich, M.
2007-12-18
This thesis gives an overview of these influences for Ga-V semiconductors (V=P,As,Sb). Lattice vibrations of the ternary alloys Ga(N,P), Ga(N,As) und Ga(N,Sb) are studied and analyzed with respect to the local binding of the N atoms in the host lattices. For the first time, pressure coefficients of the extended host phonons as well as of the N local vibrational modes in Ga(N,As) und Ga(N,P) are determined by Raman spectroscopy under hydrostatic pressure. The relationship between the force constant of the Ga-N bond and the bond length is determined. A central aspect of the thesis is the concentration dependence of optical transitions in Ga(N,P) and Ga(N,As), studied by spectroscopic methods. The impurity levels in both materials are determined by the spatial statistics of the N atoms. (orig.)
Topology in dynamical lattice QCD simulations
Energy Technology Data Exchange (ETDEWEB)
Gruber, Florian
2012-08-20
Lattice simulations of Quantum Chromodynamics (QCD), the quantum field theory which describes the interaction between quarks and gluons, have reached a point were contact to experimental data can be made. The underlying mechanisms, like chiral symmetry breaking or the confinement of quarks, are however still not understood. This thesis focuses on topological structures in the QCD vacuum. Those are not only mathematically interesting but also closely related to chiral symmetry and confinement. We consider methods to identify these objects in lattice QCD simulations. Based on this, we explore the structures resulting from different discretizations and investigate the effect of a very strong electromagnetic field on the QCD vacuum.
Kristensen, Tom; Simoni, Andrea; Launay, Jean-Michel
2016-05-01
We compute scattering and bound state properties for two ultracold molecules in a pure 1D optical lattice. We introduce reference functions with complex quasi-momentum that naturally account for the effect of excited energy bands. Our exact results for a short-range interaction are first compared with the simplest version of the standard Bose-Hubbard (BH) model. Such comparison allows us to highlight the effect of the excited bands, of the non-on-site interaction and of tunneling with distant neighbor, that are not taken into account in the BH model. The effective interaction can depend strongly on the particle quasi-momenta and can present a resonant behavior even in a deep lattice. As a second step, we study scattering of two polar particles in the optical lattice. Peculiar Wigner threshold laws stem from the interplay of the long range dipolar interaction and the presence of the energy bands. We finally assess the validity of an extended Bose-Hubbard model for dipolar gases based on our exact two-body calculations. This work was supported by the Agence Nationale de la Recherche (Contract No. ANR-12-BS04-0020-01).
Weisz, Peter; Majumdar, Pushan
2012-03-01
Lattice gauge theory is a formulation of quantum field theory with gauge symmetries on a space-time lattice. This formulation is particularly suitable for describing hadronic phenomena. In this article we review the present status of lattice QCD. We outline some of the computational methods, discuss some phenomenological applications and a variety of non-perturbative topics. The list of references is severely incomplete, the ones we have included are text books or reviews and a few subjectively selected papers. Kronfeld and Quigg (2010) supply a reasonably comprehensive set of QCD references. We apologize for the fact that have not covered many important topics such as QCD at finite density and heavy quark effective theory adequately, and mention some of them only in the last section "In Brief". These topics should be considered in further Scholarpedia articles.
Graphene antidot lattice waveguides
DEFF Research Database (Denmark)
Pedersen, Jesper Goor; Gunst, Tue; Markussen, Troels
2012-01-01
We introduce graphene antidot lattice waveguides: nanostructured graphene where a region of pristine graphene is sandwiched between regions of graphene antidot lattices. The band gaps in the surrounding antidot lattices enable localized states to emerge in the central waveguide region. We model...... the waveguides via a position-dependent mass term in the Dirac approximation of graphene and arrive at analytical results for the dispersion relation and spinor eigenstates of the localized waveguide modes. To include atomistic details we also use a tight-binding model, which is in excellent agreement...... with the analytical results. The waveguides resemble graphene nanoribbons, but without the particular properties of ribbons that emerge due to the details of the edge. We show that electrons can be guided through kinks without additional resistance and that transport through the waveguides is robust against...
Energy Technology Data Exchange (ETDEWEB)
Friedrich, Felice
2010-02-15
The main focus of this thesis is a fundamental and systematic investigation of mechanisms, which prevent stable p-type doping of ZnO. In this context, compensation by impurities, the formation of defect complexes and phase separations, which limit the doping efficiency, are discussed. With regard to the electronic compensation by impurities, a substitution of commonly used sapphire substrates with isoelectric MgO substrates is investigated. Thus, diffusion of Al donor atoms into the ZnO layer can be circumvented. It is shown that undoped, c-oriented ZnO thin-films can be grown epitaxially on (111)-MgO substrates by pulsed-laser deposition (PLD). Due to the smaller lattice mismatch of c-oriented ZnO on (111)-MgO the full width at half maximum of the E{sub 2}{sup high} phonon in Raman spectra was 1 cm{sup -1} smaller compared to ZnO layers grown on sapphire indicating a higher crystalline quality. The charge carrier concentration was reduced from 5 x 10{sup 18} to 7 x 10{sup 16} cm{sup -3}. On (100)-MgO substrates m-oriented unpolar as well as s-oriented ZnO thin-films were grown. Here, the growth is limited by the low surface mobility of the adatoms, which leads to a columnar growth mode. In addition, the variation of the thin-film morphology upon increasing deposition pressure was analyzed. A growth model is derived, which considers the influence of the deposition pressure on the nucleation density and the PLD plasma plume. This model provides an excellent qualitative description of the observed morphology of the ZnO films. These findings provide further insight into the difficulties that govern the doping of ZnO with antimony (Sb). The presence of Sb reduces the surface mobility of Zn adatoms. As a result, an amorphous film structure was observed for samples that contained an Sb concentration above 1 at.%. Furthermore, the preferential incorporation of Sb in grain boundaries leads to local phase separations, which strongly reduce the doping efficiency. Raman
Miranda, R.
1989-01-01
Described is a heterogeneous catalysis course which has elements of materials processing embedded in the classical format of catalytic mechanisms and surface chemistry. A course outline and list of examples of recent review papers written by students are provided. (MVL)
Energy Technology Data Exchange (ETDEWEB)
Schindler, Thomas H. [California Univ., Los Angeles, CA (United States). Dept. of Moelecular and Medical Pharmacology, Radiological Science]|[University Hospital of Geneva, Department of Internal Medicine, Cardiovascular Center, Nuclear Cardiology, Geneva (Switzerland); Facta, Alvaro D.; Prior, John O.; Cadenas, Jerson; Zhang, Xiao-Li; Sayre, James; Goldin, Jonathan; Schelbert, Heinrich R. [California Univ., Los Angeles, CA (United States). Dept. of Moelecular and Medical Pharmacology, Radiological Science; Li, Yanjie [University of Southern California, Atherosclerosis Research Unit, Keck School of Medicine, Los Angeles, CA (United States)
2009-02-15
To determine the relationship between carotid intima-media thickness (IMT), coronary artery calcification (CAC), and myocardial blood flow (MBF) at rest and during vasomotor stress in type 2 diabetes mellitus (DM). In 68 individuals, carotid IMT was measured using high-resolution vascular ultrasound, while the presence of CAC was determined with electron beam tomography (EBT). Global and regional MBF was determined in milliliters per gram per minute with {sup 13}N-ammonia and positron emission tomography (PET) at rest, during cold pressor testing (CPT), and during adenosine (ADO) stimulation. There was neither a relationship between carotid IMT and CAC (r = 0.10, p = 0.32) nor between carotid IMT and coronary circulatory function in response to CPT and during ADO (r = -0.18, p = 0.25 and r = 0.10, p = 0.54, respectively). In 33 individuals, EBT detected CAC with a mean Agatston-derived calcium score of 44 {+-} 18. There was a significant difference in regional MBFs between territories with and without CAC at rest and during ADO-stimulated hyperemia (0.69 {+-} 0.24 vs. 0.74 {+-} 0.23 and 1.82 {+-} 0.50 vs. 1.95 {+-} 0.51 ml/g/min; p {<=} 0.05, respectively) and also during CPT in DM but less pronounced (0.81 {+-} 0.24 vs. 0.83 {+-} 0.23 ml/g/min; p = ns). The increase in CAC was paralleled with a progressive regional decrease in resting as well as in CPT- and ADO-related MBFs (r = -0.36, p {<=} 0.014; r = -0.46, p {<=} 0.007; and r = -0.33, p {<=} 0.041, respectively). The absence of any correlation between carotid IMT and coronary circulatory function in type 2 DM suggests different features and stages of early atherosclerosis in the peripheral and coronary circulation. PET-measured MBF heterogeneity at rest and during vasomotor stress may reflect downstream fluid dynamic effects of coronary artery disease (CAD)-related early structural alterations of the arterial wall. (orig.)
Exploring hyperons and hypernuclei with lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Beane, S.R.; Bedaque, P.F.; Parreno, A.; Savage, M.J.
2003-01-01
In this work we outline a program for lattice QCD that wouldprovide a first step toward understanding the strong and weakinteractions of strange baryons. The study of hypernuclear physics hasprovided a significant amount of information regarding the structure andweak decays of light nuclei containing one or two Lambda's, and Sigma's.From a theoretical standpoint, little is known about the hyperon-nucleoninteraction, which is required input for systematic calculations ofhypernuclear structure. Furthermore, the long-standing discrepancies inthe P-wave amplitudes for nonleptonic hyperon decays remain to beunderstood, and their resolution is central to a better understanding ofthe weak decays of hypernuclei. We present a framework that utilizesLuscher's finite-volume techniques in lattice QCD to extract thescattering length and effective range for Lambda-N scattering in both QCDand partially-quenched QCD. The effective theory describing thenonleptonic decays of hyperons using isospin symmetry alone, appropriatefor lattice calculations, is constructed.
Directory of Open Access Journals (Sweden)
Futa Yuichi
2016-03-01
Full Text Available In this article, we formalize the definition of lattice of ℤ-module and its properties in the Mizar system [5].We formally prove that scalar products in lattices are bilinear forms over the field of real numbers ℝ. We also formalize the definitions of positive definite and integral lattices and their properties. Lattice of ℤ-module is necessary for lattice problems, LLL (Lenstra, Lenstra and Lovász base reduction algorithm [14], and cryptographic systems with lattices [15] and coding theory [9].
Compact flat band states in optically induced flatland photonic lattices
Travkin, Evgenij; Diebel, Falko; Denz, Cornelia
2017-07-01
We realize low-dimensional tight-binding lattices that host flat bands in their dispersion relation and demonstrate the existence of optical compact flat band states. The lattices are resembled by arrays of optical waveguides fabricated by the state-of-the-art spatio-temporal Bessel beam multiplexing optical induction in photorefractive media. We work out the decisive details of the transition from the discrete theory to the real optical system ensuring that the experimental lattices stand up to numerical scrutiny exhibiting well-approximated band structures. Our highly flexible system is a promising candidate for further experimental investigation of theoretically studied disorder effects in flat band lattices.
Lattice Automata for Control of Self-Reconfigurable Robots
DEFF Research Database (Denmark)
Støy, Kasper
2015-01-01
are extreme versatility and robustness. The organisation of self-reconfigurable robots in a lattice structure and the emphasis on local communication between modules mean that lattice automata are a useful basis for control of self-reconfigurable robots. However, there are significant differences which arise...... mainly from the physical nature of self-reconfigurable robots as opposed to the virtual nature of lattice automata. The problems resulting from these differences are mutual exclusion, handling motion constraints of modules, and unrealistic assumption about global, spatial orientation. Despite...... these problems the self-reconfigurable robot community has successfully applied lattice automata to simple control problems. However, for more complex problems hybrid solutions based on lattice automata and distributed algorithms are used. Hence, lattice automata have shown to have potential for the control...
Energy Technology Data Exchange (ETDEWEB)
Maturana, G.; Vanden Doel, C.P. (California Univ., Santa Cruz (USA). Physics Dept.)
1983-04-07
We study spin 3/2 fields on the lattice. Species doubling is found to be totally curable with an analogue of Wilson's method and partially with an analogue of the Kogut-Susskind formalism. Only the latter preserves local supersymmetry but describes at least four species.
Williamson, S. Gill
2010-01-01
Will the cosmological multiverse, when described mathematically, have easily stated properties that are impossible to prove or disprove using mathematical physics? We explore this question by constructing lattice multiverses which exhibit such behavior even though they are much simpler mathematically than any likely cosmological multiverse.
Weidner, Carrie; Yu, Hoon; Anderson, Dana
2015-05-01
This work introduces a method to perform interferometry using atoms trapped in an optical lattice. Starting at t = 0 with atoms in the ground state of a lattice potential V(x) =V0cos [ 2 kx + ϕ(t) ] , we show that it is possible to transform from one atomic wavefunction to another by a prescribed shaking of the lattice, i.e., by an appropriately tailored time-dependent phase shift ϕ(t) . In particular, the standard interferometer sequence of beam splitting, propagation, reflection, reverse propagation, and recombination can be achieved via a set of phase modulation operations {ϕj(t) } . Each ϕj(t) is determined using a learning algorithm, and the split-step method calculates the wavefunction dynamics. We have numerically demonstrated an interferometer in which the shaken wavefunctions match the target states to better than 1 % . We carried out learning using a genetic algorithm and optimal control techniques. The atoms remain trapped in the lattice throughout the full interferometer sequence. Thus, the approach may be suitable for use in an dynamic environment. In addition to the general principles, we discuss aspects of the experimental implementation. Supported by the Office of Naval Research (ONR) and Northrop Grumman.
Chiral Topological Orders in an Optical Raman Lattice (Open Source)
2016-03-01
resolution of this difficulty is to consider lanthanide atomswhich can have less heating due to largefine structure splitting and narrownatural linewidth in...Generalization of the present optical Raman lattice scheme to other situations, e.g. the high-orbital bands, 3D systems, andmore exotic lattice
Phase transition in a domain-wall lattice
Stolzenberg, M.; Lyuksyutov, I.; Bauer, E.
1991-12-01
A new type of phase transition in the domain-wall lattice between the (4×2) and (5×2) structure of Te on Mo(110) is reported. In this phase transition the period of the uniaxial domain-wall lattice remains constant, but domain walls themselves transform in more heavy ones.
DEFF Research Database (Denmark)
Inosov, D.S.; Leineweber, A.; Yang, X.P.
2009-01-01
We present x-ray powder diffraction (XRPD) and neutron-diffraction measurements on the slightly underdoped iron-pnictide superconductor Ba1−xKxFe2As2, Tc=32 K. Below the magnetic-transition temperature Tm=70 K, both techniques show an additional broadening of the nuclear Bragg peaks, suggesting...... separation previously observed in the same material and with the effect of lattice softening below the magnetic phase transition. We employ density-functional theory to evaluate the distribution of atomic positions in the presence of dopant atoms both in the normal and magnetic states and to quantify...
Rotem, Guy; Gavish, Yoni; Shacham, Boaz; Giladi, Itamar; Bouskila, Amos; Ziv, Yaron
2016-01-01
Grazing plays an important role in shaping ecological communities in human-related ecosystems. Although myriad studies have explored the joint effect of grazing and climate on plant communities, this interactive effect has rarely been studied in animals. We hypothesized that the effect of grazing on the reptile community varies along a climatic gradient in relation to the effect of grazing on habitat characteristics, and that grazing differentially affects reptiles of different biogeographic regions. We tested our hypotheses by collecting data on environmental characteristics and by trapping reptiles in four heterogeneous landscapes experiencing differing grazing intensities and distributed along a sharp climatic gradient. We found that while reptile diversity increased with grazing intensity at the mesic end of the gradient, it decreased with grazing intensity at the arid end. Moreover, the proportion of reptile species of differing biogeographic origins varied with the interactive effect of climate and grazing. The representation of species originating in arid biogeographic zones was highest at the arid end of the climatic gradient, and representation increased with grazing intensity within this area. Regardless of the climatic context, increased grazing pressure results in a reduction in vegetation cover and thus in changes in habitat characteristics. By reducing vegetation cover, grazing increased habitat heterogeneity in the dense mesic sites and decreased habitat heterogeneity in the arid sites. Thus, our results suggest that the same direction of habitat alteration caused by grazing may have opposite effects on biodiversity and community composition in different climatic contexts.
Percolation thresholds on elongated lattices
Marrink, S.J.; Knackstedt, Mark A.
1999-01-01
We investigate the percolation thresholds of both random and invasion percolation in two and three dimensions on elongated lattices; lattices with a geometry of L^(d−1) × nL in d dimensions, where n denotes the aspect ratio of the lattice. Scaling laws for the threshold and spanning cluster density
Eliminating corner effects in square lattice simulation
Pang, Gang; Ji, Songsong; Yang, Yibo; Tang, Shaoqiang
2017-10-01
Using an alternative source decomposition, we propose new exact boundary conditions on numerical boundary of a square lattice for out-of-plane motion over the whole space. A set of recurrence relations are found for the resulting kernel functions, hence allow their efficient and accurate evaluation with a system of ordinary differential equations. Stability of the boundary conditions is proved rigorously. Numerical results illustrate effective suppression for spurious wave reflection, and elimination of corner effects. This approach may be extended to other lattice structures and in higher dimensions.
Perturbative and nonperturbative renormalization in lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Goeckeler, M. [Regensburg Univ. (Germany). Institut fuer Theoretische Physik; Horsley, R. [University of Edinburgh (United Kingdom). School of Physics and Astronomy; Perlt, H. [Leipzig Univ. (DE). Institut fuer Theoretische Physik] (and others)
2010-03-15
We investigate the perturbative and nonperturbative renormalization of composite operators in lattice QCD restricting ourselves to operators that are bilinear in the quark fields (quark-antiquark operators). These include operators which are relevant to the calculation of moments of hadronic structure functions. The nonperturbative computations are based on Monte Carlo simulations with two flavors of clover fermions and utilize the Rome-Southampton method also known as the RI-MOM scheme. We compare the results of this approach with various estimates from lattice perturbation theory, in particular with recent two-loop calculations. (orig.)
Super-Lattice Structure and Phase Evolution of Pb(Lu0.5Nb0.5O3-PbTiO3 Single Crystal with Low PbTiO3
Directory of Open Access Journals (Sweden)
Ying Liu
2018-01-01
Full Text Available The phase diagram of the Pb(Lu0.5Nb0.5O3-PbTiO3 (PLN-PT binary system was previously reported based on XRD and dielectric measurements results. Unusually, the Curie temperature of PLN-PT with low PT obtained from the phase diagram is much lower than that of PLN and PT end members, which is different from others, such as PZT. Therefore, the complex structure of PLN-PT with low PT is desired to be studied. In this work, PLN-PT single crystals with low PT were grown for the study of their super-lattice structure and phase evolution. The super-lattice reflections were identified by X-ray diffraction. Domains and their evolution by heating from room temperature to 150 °C were observed under a polarized light microscope. The phase transition from the ferroelectric phase to the paraelectric phase was determined by dielectric spectra and polarized light microscopy. A precursor/intermediate phase exhibiting pinched hysteresis loops was displayed above the Curie temperature, which originates from some polar region embedded in the non-polar matrix. The coexistence of the ferroelectric and antiferroelectric domains leads to peculiarities of the phase transitions, such as a lower Curie temperature compared with PLN and PT. The studies of the phase evolution of PLN-PT with low PT single crystal is a supplementary amendment of the PLN-PT phase diagram as previously reported.
DEFF Research Database (Denmark)
Hölzenspies, Jurriaan; Dela Cruz, Gelo Victoriano; M Brickman, Joshua
2016-01-01
sets of pluripotency and differentiation markers. It has become increasingly apparent that this transcriptional heterogeneity is an important characteristic of ESC culture. By sorting for specific populations of ESCs it is possible to enrich for cells with a capacity to colonize the embryo proper...
Lattice Entertain You: Paper Modeling of the 14 Bravais Lattices on Youtube
Sein, Lawrence T., Jr.; Sein, Sarajane E.
2015-01-01
A system for the construction of double-sided paper models of the 14 Bravais lattices, and important crystal structures derived from them, is described. The system allows the combination of multiple unit cells, so as to better represent the overall three-dimensional structure. Students and instructors can view the models in use on the popular…
Lattice Gas Automata : Drying Simulation in Heterogeneous Models
Jankovic, D.; Wolf-Gladrow, D.A.
2006-01-01
Moisture flow in porous media is the driving force behind early age drying shrinkage. Cracking in the ITZ, between cement paste and aggregate-inclusion, is related to restraint caused by, among others, aggregates that obstruct free deformation of the paste. ESEM test results are used as a base for
Boghosian, B M; Alexander, F J; Margolus, N H; Boghosian, Bruce M.; Yepez, Jeffrey; Alexander, Francis J.; Margolus, Norman H.
1996-01-01
We generalize the hydrodynamic lattice gas model to include arbitrary numbers of particles moving in each lattice direction. For this generalization we derive the equilibrium distribution function and the hydrodynamic equations, including the equation of state and the prefactor of the inertial term that arises from the breaking of galilean invariance in these models. We show that this prefactor can be set to unity in the generalized model, therby effectively restoring galilean invariance. Moreover, we derive an expression for the kinematic viscosity, and show that it tends to decrease with the maximum number of particles allowed in each direction, so that higher Reynolds numbers may be achieved. Finally, we derive expressions for the statistical noise and the Boltzmann entropy of these models.
Jipsen, Peter
1992-01-01
The study of lattice varieties is a field that has experienced rapid growth in the last 30 years, but many of the interesting and deep results discovered in that period have so far only appeared in research papers. The aim of this monograph is to present the main results about modular and nonmodular varieties, equational bases and the amalgamation property in a uniform way. The first chapter covers preliminaries that make the material accessible to anyone who has had an introductory course in universal algebra. Each subsequent chapter begins with a short historical introduction which sites the original references and then presents the results with complete proofs (in nearly all cases). Numerous diagrams illustrate the beauty of lattice theory and aid in the visualization of many proofs. An extensive index and bibliography also make the monograph a useful reference work.
Energy Technology Data Exchange (ETDEWEB)
Gupta, R.
1998-12-31
The goal of the lectures on lattice QCD (LQCD) is to provide an overview of both the technical issues and the progress made so far in obtaining phenomenologically useful numbers. The lectures consist of three parts. The author`s charter is to provide an introduction to LQCD and outline the scope of LQCD calculations. In the second set of lectures, Guido Martinelli will discuss the progress they have made so far in obtaining results, and their impact on Standard Model phenomenology. Finally, Martin Luescher will discuss the topical subjects of chiral symmetry, improved formulation of lattice QCD, and the impact these improvements will have on the quality of results expected from the next generation of simulations.
Adamatzky, Andrew
2015-01-01
The book gives a comprehensive overview of the state-of-the-art research and engineering in theory and application of Lattice Automata in design and control of autonomous Robots. Automata and robots share the same notional meaning. Automata (originated from the latinization of the Greek word “αυτόματον”) as self-operating autonomous machines invented from ancient years can be easily considered the first steps of robotic-like efforts. Automata are mathematical models of Robots and also they are integral parts of robotic control systems. A Lattice Automaton is a regular array or a collective of finite state machines, or automata. The Automata update their states by the same rules depending on states of their immediate neighbours. In the context of this book, Lattice Automata are used in developing modular reconfigurable robotic systems, path planning and map exploration for robots, as robot controllers, synchronisation of robot collectives, robot vision, parallel robotic actuators. All chapters are...
Hadroquarkonium from lattice QCD
Alberti, Maurizio; Bali, Gunnar S.; Collins, Sara; Knechtli, Francesco; Moir, Graham; Söldner, Wolfgang
2017-04-01
The hadroquarkonium picture [S. Dubynskiy and M. B. Voloshin, Phys. Lett. B 666, 344 (2008), 10.1016/j.physletb.2008.07.086] provides one possible interpretation for the pentaquark candidates with hidden charm, recently reported by the LHCb Collaboration, as well as for some of the charmoniumlike "X , Y , Z " states. In this picture, a heavy quarkonium core resides within a light hadron giving rise to four- or five-quark/antiquark bound states. We test this scenario in the heavy quark limit by investigating the modification of the potential between a static quark-antiquark pair induced by the presence of a hadron. Our lattice QCD simulations are performed on a Coordinated Lattice Simulations (CLS) ensemble with Nf=2 +1 flavors of nonperturbatively improved Wilson quarks at a pion mass of about 223 MeV and a lattice spacing of about a =0.0854 fm . We study the static potential in the presence of a variety of light mesons as well as of octet and decuplet baryons. In all these cases, the resulting configurations are favored energetically. The associated binding energies between the quarkonium in the heavy quark limit and the light hadron are found to be smaller than a few MeV, similar in strength to deuterium binding. It needs to be seen if the small attraction survives in the infinite volume limit and supports bound states or resonances.
Kenneth Wilson and lattice QCD
Ukawa, Akira
2015-01-01
We discuss the physics and computation of lattice QCD, a space-time lattice formulation of quantum chromodynamics, and Kenneth Wilson's seminal role in its development. We start with the fundamental issue of confinement of quarks in the theory of the strong interactions, and discuss how lattice QCD provides a framework for understanding this phenomenon. A conceptual issue with lattice QCD is a conflict of space-time lattice with chiral symmetry of quarks. We discuss how this problem is resolved. Since lattice QCD is a non-linear quantum dynamical system with infinite degrees of freedom, quantities which are analytically calculable are limited. On the other hand, it provides an ideal case of massively parallel numerical computations. We review the long and distinguished history of parallel-architecture supercomputers designed and built for lattice QCD. We discuss algorithmic developments, in particular the difficulties posed by the fermionic nature of quarks, and their resolution. The triad of efforts toward b...
Toward lattice fractional vector calculus
Tarasov, Vasily E.
2014-09-01
An analog of fractional vector calculus for physical lattice models is suggested. We use an approach based on the models of three-dimensional lattices with long-range inter-particle interactions. The lattice analogs of fractional partial derivatives are represented by kernels of lattice long-range interactions, where the Fourier series transformations of these kernels have a power-law form with respect to wave vector components. In the continuum limit, these lattice partial derivatives give derivatives of non-integer order with respect to coordinates. In the three-dimensional description of the non-local continuum, the fractional differential operators have the form of fractional partial derivatives of the Riesz type. As examples of the applications of the suggested lattice fractional vector calculus, we give lattice models with long-range interactions for the fractional Maxwell equations of non-local continuous media and for the fractional generalization of the Mindlin and Aifantis continuum models of gradient elasticity.
Directory of Open Access Journals (Sweden)
Rivera–Ingraham, G. A.
2011-12-01
Full Text Available Cymbula nigra (Gastropoda, Patellidae is a threatened giant patellid limpet found on the North African coast from Namibia to Algeria. The objective of this study was to estimate the total number of individuals present in Ceuta (Strait of Gibraltar and to determine the effect of certain physical parameters on population structure and abundance. Between 2006 and 2010 we conducted an exhaustive census in the area. Results indicate that Ceuta could be home to 48,473 individuals. The most important populations were recorded on the North Bay, characterized by its Atlantic influence. While for other similar species, such as Patella ferruginea, human accessibility to the area plays an important role in determining the structure of populations, we found that substrate roughness (small scale topographic heterogeneity is the main determining factor in this species. Populations located on medium to low topographic heterogeneity substrates showed higher percentages of medium and large size individuals. However, recruitment rates did not differ between substrata of different roughness. Finally, and through the analysis of the C. nigra populations located on some recently constructed jetties, we obtained interesting new data regarding individual growth rates, thus contributing to our knowledge of the population structure of the species.
Sinclair Yemini, Francis; Chenu, Claire; Monga, Olivier; Vieuble Gonond, Laure; Juarez, Sabrina; Pihneiro, Marc; otten, Wilfred; Garnier, Patricia
2014-05-01
Contaminant degradation by microorganisms is very variable in soils because of the very heterogeneous spatial relationship of contaminant/degraders. Repacked Soil columns were carried out to study the degradation of 2,4D pesticide labelled with C14 for different scenarios of microorganisms and pesticide initial location. Measurements of global C14-CO2 emission and C14 distribution in the soil column showed that the initial location play a crucial rule on the dissipation of the pollutant. Experiments were simulated using a 3D model able to model microbial degradation and substrate diffusion between aggregates by considering explicitly the 3D structure of soil from CT images. The initial version of the model (Monga et al., 2008) was improved in order to simulate diffusion in samples of large size. Partial differential equations were implemented using freefem++ solver. The model simulates properly the dynamics of 2,4D in the column for the different initial situations. CT images of the same soil but using undisturbed structure instead of repacked aggregates were also carried out. Significant differences of the simulated results were observed between the repacked and the undisturbed soil. The conclusion of our work is that the heterogeneity of the soil structure and location of pollutants and decomposers has a very strong influence on the dissipation of pollutants.
Baumgardner, William J.
2014-05-27
High-temperature in situ electron microscopy and X-ray diffraction have revealed that Au and Fe2O3 particles fuse in a fluid fashion at temperatures far below their size-reduced melting points. With increasing temperature, the fused particles undergo a sequence of complex structural transformations from surface alloy to phase segregated and ultimately core-shell structures. The combination of in situ electron microscopy and spectroscopy provides insights into fundamental thermodynamic and kinetic aspects governing the formation of heterogeneous nanostructures. The observed structural transformations present an interesting analogy to thin film growth on the curved surface of a nanoparticle. Using single-particle observations, we constructed a phase diagram illustrating the complex relationships among composition, morphology, temperature, and particle size. © 2014 American Chemical Society.
Energy Technology Data Exchange (ETDEWEB)
Varga, Tamas [Environmental Molecular Sciences Lab., Richland, WA (United States); Droubay, Timothy C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Bowden, Mark E. [Environmental Molecular Sciences Lab., Richland, WA (United States); Colby, Robert J. [Environmental Molecular Sciences Lab., Richland, WA (United States); Manandhar, Sandeep [Environmental Molecular Sciences Lab., Richland, WA (United States); Shutthanandan, Vaithiyalingam [Environmental Molecular Sciences Lab., Richland, WA (United States); Hu, Dehong [Environmental Molecular Sciences Lab., Richland, WA (United States); Kabius, Bernd C. [Environmental Molecular Sciences Lab., Richland, WA (United States); Apra, Edoardo [Environmental Molecular Sciences Lab., Richland, WA (United States); Shelton, William A. [Environmental Molecular Sciences Lab., Richland, WA (United States); Chambers, Scott A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
2013-04-15
We report the magnetic and structural characteristics of epitaxial NiTiO_{3} films grown by pulsed laser deposition that are isostructural with acentric LiNbO_{3} (space group R3c). Optical second harmonic generation and magnetometry demonstrate lattice polarization at room temperature and weak ferromagnetism below 250 K, respectively. These results appear to be consistent with earlier predictions from first-principles calculations of the coexistence of ferroelectricity and weak ferromagnetism in a series of transition metal titanates crystallizing in the LiNbO_{3 }structure. This acentric form of NiTiO_{3} is believed to be one of the rare examples of ferroelectrics exhibiting weak ferromagnetism generated by a Dzyaloshinskii-Moriya interaction.
Yang, PeiPei; Wen, Zhi; Dou, RuiFeng; Liu, Xunliang
2016-08-01
Flow and heat transfer through a 2D random porous medium are studied by using the lattice Boltzmann method (LBM). For the random porous medium, the influence of disordered cylinder arrangement on permeability and Nusselt number are investigated. Results indicate that the permeability and Nusselt number for different cylinder locations are unequal even with the same number and size of cylinders. New correlations for the permeability and coefficient b‧Den of the Forchheimer equation are proposed for random porous medium composed of Gaussian distributed circular cylinders. Furthermore, a general set of heat transfer correlations is proposed and compared with existing experimental data and empirical correlations. Our results show that the Nu number increases with the increase of the porosity, hence heat transfer is found to be accurate considering the effect of porosity.
Lattice modeling of fracture processes in numerical concrete with irregular shape aggregates
Qian, Z.; Schlangen, H.E.J.G.
2013-01-01
The fracture processes in concrete can be simulated by lattice fracture model [1]. A lattice network is usually constructed on top of the material structure of concrete, and then the mechanical properties of lattice elements are assigned, corresponding with the phases they represent. The material
Frey, Davide; Guerraoui, Rachid; Kermarrec, Anne-Marie; Koldehofe, Boris; Mogensen, Martin; Monod, Maxime; Quéma, Vivien
Gossip-based information dissemination protocols are considered easy to deploy, scalable and resilient to network dynamics. Load-balancing is inherent in these protocols as the dissemination work is evenly spread among all nodes. Yet, large-scale distributed systems are usually heterogeneous with respect to network capabilities such as bandwidth. In practice, a blind load-balancing strategy might significantly hamper the performance of the gossip dissemination.
Algebraic lattice Codes achieve the capacity of the compound block-fading channel
Campello, A; Ling, C; Belfiore, JC
2016-01-01
We propose a lattice coding scheme that achieves the capacity of the compound block-fading channel. Our lattice construction exploits the multiplicative structure of number fields and their group of units to absorb ill-conditioned channel realizations. To shape the constellation, a discrete Gaussian distribution over the lattice points is applied. A by-product of our results is a refined analysis of the probability of error of the lattice Gaussian distribution in the AWGN channel.
Lattice topology dictates photon statistics.
Kondakci, H Esat; Abouraddy, Ayman F; Saleh, Bahaa E A
2017-08-21
Propagation of coherent light through a disordered network is accompanied by randomization and possible conversion into thermal light. Here, we show that network topology plays a decisive role in determining the statistics of the emerging field if the underlying lattice is endowed with chiral symmetry. In such lattices, eigenmode pairs come in skew-symmetric pairs with oppositely signed eigenvalues. By examining one-dimensional arrays of randomly coupled waveguides arranged on linear and ring topologies, we are led to a remarkable prediction: the field circularity and the photon statistics in ring lattices are dictated by its parity while the same quantities are insensitive to the parity of a linear lattice. For a ring lattice, adding or subtracting a single lattice site can switch the photon statistics from super-thermal to sub-thermal, or vice versa. This behavior is understood by examining the real and imaginary fields on a lattice exhibiting chiral symmetry, which form two strands that interleave along the lattice sites. These strands can be fully braided around an even-sited ring lattice thereby producing super-thermal photon statistics, while an odd-sited lattice is incommensurate with such an arrangement and the statistics become sub-thermal.
Wave propagation in equivalent continuums representing truss lattice materials
Energy Technology Data Exchange (ETDEWEB)
Messner, Mark C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Barham, Matthew I. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Kumar, Mukul [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Barton, Nathan R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2015-07-29
Stiffness scales linearly with density in stretch-dominated lattice meta-materials offering the possibility of very light yet very stiff structures. Current additive manufacturing techniques can assemble structures consisting of these lattice materials, but the design of such structures will require accurate, efficient simulation techniques. Equivalent continuum models have several advantages over discrete truss models of stretch dominated lattices, including computational efficiency and ease of model construction. However, the development an equivalent model suitable for representing the dynamic response of a periodic truss is complicated by microinertial effects. This paper derives a dynamic equivalent continuum model for periodic truss structures and verifies it against detailed finite element simulations. The model must incorporate microinertial effects to accurately reproduce long-wavelength characteristics of the response such as anisotropic elastic soundspeeds. The formulation presented here also improves upon previous work by preserving equilibrium at truss joints for affine lattice deformation and by improving numerical stability by eliminating vertices in the effective yield surface.
Large epidemic thresholds emerge in heterogeneous networks of heterogeneous nodes.
Yang, Hui; Tang, Ming; Gross, Thilo
2015-08-21
One of the famous results of network science states that networks with heterogeneous connectivity are more susceptible to epidemic spreading than their more homogeneous counterparts. In particular, in networks of identical nodes it has been shown that network heterogeneity, i.e. a broad degree distribution, can lower the epidemic threshold at which epidemics can invade the system. Network heterogeneity can thus allow diseases with lower transmission probabilities to persist and spread. However, it has been pointed out that networks in which the properties of nodes are intrinsically heterogeneous can be very resilient to disease spreading. Heterogeneity in structure can enhance or diminish the resilience of networks with heterogeneous nodes, depending on the correlations between the topological and intrinsic properties. Here, we consider a plausible scenario where people have intrinsic differences in susceptibility and adapt their social network structure to the presence of the disease. We show that the resilience of networks with heterogeneous connectivity can surpass those of networks with homogeneous connectivity. For epidemiology, this implies that network heterogeneity should not be studied in isolation, it is instead the heterogeneity of infection risk that determines the likelihood of outbreaks.
Komendera, Erik E.; Adhikari, Shaurav; Glassner, Samantha; Kishen, Ashwin; Quartaro, Amy
2017-01-01
Autonomous robotic assembly by mobile field robots has seen significant advances in recent decades, yet practicality remains elusive. Identified challenges include better use of state estimation to and reasoning with uncertainty, spreading out tasks to specialized robots, and implementing representative joining methods. This paper proposes replacing 1) self-correcting mechanical linkages with generalized joints for improved applicability, 2) assembly serial manipulators with parallel manipulators for higher precision and stability, and 3) all-in-one robots with a heterogeneous team of specialized robots for agent simplicity. This paper then describes a general assembly algorithm utilizing state estimation. Finally, these concepts are tested in the context of solar array assembly, requiring a team of robots to assemble, bond, and deploy a set of solar panel mockups to a backbone truss to an accuracy not built into the parts. This paper presents the results of these tests.
Congruence lattices of free lattices in non-distributive varieties
Ploscica, M; Wehrung, F; Ploscica, Miroslav; Tuma, Jiri; Wehrung, Friedrich
2005-01-01
We prove that for any free lattice F with at least $\\aleph\\_2$ generators in any non-distributive variety of lattices, there exists no sectionally complemented lattice L with congruence lattice isomorphic to the one of F. This solves a question formulated by Gr\\"{a}tzer and Schmidt in 1962. This yields in turn further examples of simply constructed distributive semilattices that are not isomorphic to the semilattice of ﬁnitely generated two-sided ideals in any von Neumann regular ring.
Vailionis, A.; Boschker, H.; Houwman, E.; Koster, G.; Rijnders, G.; Blank, D. H.
2010-03-01
Transition-metal oxides exhibit variety of magnetic, electronic and structural properties due to the presence of strong electron-electron and electron-lattice correlations. For epitaxial ABO3 films substrate-induced biaxial stress is an effective tool to modify the electron-lattice coupling. We present a microstructural study of the lattice effects in SrRuO3 and La0.67Sr0.33MnO3 thin films grown under different tensile and compressive stresses. Due to the symmetry constraints, the ``pseudocubic'' perovskite unit cell does not reveal the diversity of distortions and tilts of BO6 octahedra which play a significant role in magnetic and electronic properties of the ABO3 perovskites. We show that the lattice distortions in perovskite thin films under misfit stress can be quantitatively described by assuming a lower symmetry unit cell: tetragonal, orthorhombic or monoclinic. The results demonstrate that the misfit strain modifies the degree and direction of BO6 octahedra distortions and rotations via structural transitions between tetragonal and orthorhombic unit cells as well as lattice modulations. The coherently strained films exhibit stress relief mechanism that is highly anisotropic along perpendicular in-plane directions. Such anisotropic stress accommodation is believed to affect anisotropic magnetic or electronic properties.
Lattice Vibrations in Chlorobenzenes:
DEFF Research Database (Denmark)
Reynolds, P. A.; Kjems, Jørgen; White, J. W.
1974-01-01
Lattice vibrational dispersion curves for the ``intermolecular'' modes in the triclinic, one molecule per unit cell β phase of p‐C6D4Cl2 and p‐C6H4Cl2 have been obtained by inelastic neutron scattering. The deuterated sample was investigated at 295 and at 90°K and a linear extrapolation to 0°K...... was applied in order to correct for anharmonic effects. Calculations based on the atom‐atom model for van der Waals' interaction and on general potential parameters for the aromatic compounds agree reasonably well with the experimental observations. There is no substantial improvement in fit obtained either...
Drashkovicheva, Kh; Igoshin, V I; Katrinyak, T; Kolibiar, M
1989-01-01
This book is another publication in the recent surveys of ordered sets and lattices. The papers, which might be characterized as "reviews of reviews," are based on articles reviewed in the Referativnyibreve Zhurnal: Matematika from 1978 to 1982. For the sake of completeness, the authors also attempted to integrate information from other relevant articles from that period. The bibliography of each paper provides references to the reviews in RZhMat and Mathematical Reviews where one can seek more detailed information. Specifically excluded from consideration in this volume were such topics as al
Lightweight design for servo frame based on lattice material
Jin, Xin; Li, Guoxi; Liu, Encai; Gong, Jingzhong
2017-06-01
Lattice material infilling is an important way to achieve lightweight. Focusing on the problems of non-uniform arrangement and the finite element analysis (FEA) of lattice material in the parts, a lightweight design method based on lattice material is proposed with the spacecraft servo frame as the design object. Modal analysis and topology optimization are carried out according to the boundary conditions. The optimized density results are used to guide the design of lattice material parameters and arrangement. The equivalent mechanical properties of lattice material are obtained through the standard specimens experiments. The equivalent material FEA model of the lightweight servo frame is established, and the performance of the lightweight structure is tested by FEA simulation and experiment. The results show that under the impact condition, the lightweight servo frame meets the performance requirements and the simulation method through the equivalent material model is validated.
Magnetic Frustration in an Iron-Based Cairo Pentagonal Lattice
Ressouche, E.; Simonet, V.; Canals, B.; Gospodinov, M.; Skumryev, V.
2009-12-01
The Fe3+ lattice in the Bi2Fe4O9 compound is found to materialize the first analogue of a magnetic pentagonal lattice. Because of its odd number of bonds per elemental brick, this lattice, subject to first neighbor antiferromagnetic interactions, is prone to geometric frustration. The Bi2Fe4O9 magnetic properties have been investigated by macroscopic magnetic measurements and neutron diffraction. The observed noncollinear magnetic arrangement is related to the one stabilized on a perfect tiling as obtained from a mean field analysis with direct space magnetic configuration calculations. The peculiarity of this structure arises from the complex connectivity of the pentagonal lattice, a novel feature compared to the well-known case of triangle-based lattices.
Compactons in strongly nonlinear lattices
Ahnert, Karsten
2010-01-01
In the present work, we study wave phenomena in strongly nonlinear lattices. Such lattices are characterized by the absence of classical linear waves. We demonstrate that compactons – strongly localized solitary waves with tails decaying faster than exponential – exist and that they play a major role in the dynamics of the system under consideration. We investigate compactons in different physical setups. One part deals with lattices of dispersively coupled limit cycle oscillators which find ...
In situ monitoring of structural changes during colloidal self-assembly.
Koh, Yaw Koon; Wong, Chee Cheong
2006-01-31
Reflectance spectroscopy is utilized to monitor structural changes during the self-assembly of a monodisperse colloidal system at the meniscus of a sessile drop on an inert substrate. Treating the ordered colloidal structure as a photonic crystal is equivalent to monitoring the changes in the photonic band gap (PBG) as the colloidal system self-assembles heterogeneously into a crystal through solvent evaporation in ambient conditions. Using a modified Bragg's law model of the photonic crystal, we can trace the structural evolution of the self-assembling colloidal system. After a certain induction period, a face-centered cubic (FCC) structure emerges, albeit with a lattice parameter larger than that of a true close-packed structure. This FCC structure is maintained while the lattice parameter shrinks continuously with further increase in the colloidal concentration due to drying. When the structure reaches a lattice parameter 1.09 times the size of that of a true close-packed structure, it undergoes an abrupt decrease in lattice spacing, apparently similar to those reported for lattice-distortive martensitic transformations. This abrupt final lattice shrinkage agrees well with the estimated Debye screening length of the electric double layer of charged colloids and could be the fundamental reason behind the cracking commonly seen in colloidal crystals.
Energy Technology Data Exchange (ETDEWEB)
Rahnamaye Aliabad, H.A. [Department of Physics, Hakim Sabzevari University, Sabzevar (Iran, Islamic Republic of); Vaezi, Hamide [Department of Physics, Khayyam Institute of Higher Education, Mashhad (Iran, Islamic Republic of); Basirat, Shiva [Department of Physics, Payame Noor University of Mashhad, Mashhad (Iran, Islamic Republic of); Ahmad, Iftikhar [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Abbottabad University of Science and Technology, Havelian (Pakistan)
2017-07-17
The electronical and optical properties of CdGa{sub 2}S{sub 4} under high pressures were studied using the full potential linearized augmented plane wave (FP-LAPW) method within the GGA and mBJ exchange correlation potentials from 0.0 to 16.92 GPa. The obtained results show that the lattice constants, bandgap values, and optoelectronic properties are sensitive to applied external pressures. The mBJ results indicate that the bandgap increases and the static dielectric constants decrease with increasing the pressure. The two none zero dielectric tensor components show considerable anisotropy between the perpendicular and parallel components. The maximum absorption for x direction in all pressures takes place in vacuum UV region. Also, the plasma frequency shifts to the higher energies with increasing the pressure for application in optical devices. The calculated results by mBJ are in close agreement with the experimental values. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Hadron physics from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Schaefer, Andreas [Regensburg Univ. (Germany). Inst. for Theoretical Physics
2016-11-01
with the required precision. However, quantum field theory has a very important fundamental property, which allows to make progress: When the variable ''time'' is analytically continued to imaginary time (in the sense of square root of minus one) it gets mapped onto thermodynamics and statistics and questions in quantum field theory are transformed into purely statistical problems, which can be solved numerically by Monte Carlo techniques. While there might be more to it, this can be seen as just a mathematical trick. This trick does not only make numerical simulations of quantum field theories possible, but it solves at the same time the problem alluded to above: Within QCD any quark-gluon model which is simple enough that one can use it for practical calculations, fails to describe a real hadron. More precisely a simple quark-gluon state, which can easily be described within QCD corresponds to an infinitely complicated superposition of hadronic states. However, if such a superposition is propagated in imaginary time in the right manner all components except the lowest mass physical hadron, e.g. the proton, get exponentially suppressed. Thus the exact many particle wave function of the physical proton is obtained with which one can then calculate all physical quantities one is interested in, with one constraint: Because time has lost its meaning, only time-independent quantities can be obtained. Consequently, Lattice QCD has nearly always to be combined with real time treatments, most prominently perturbative QCD, to obtain physical predictions. The schematic structure of hadron structure lattice calculations is illustrated. Because source, sink and matrix element define three points in space-time such amplitudes are called ''3-point functions''.The Greens function on the lattice is just the inverse of a large sparse matrix. This inversion is one of the computationally most expensive tasks in lattice QCD calculations. To
C. Pascual; A. Garcia-Abril; L.G. Garcia-Montero; S. Martin-Fernandez; W.B. Cohen
2008-01-01
In this paper, we present a two-stage approach for characterizing the structure of Pinus sylvestris L. stands in forests of central Spain. The first stage was to delimit forest stands using eCognition and a digital canopy height model (DCHM) derived from lidar data. The polygons were then clustered into forest structure types based on the DCHM data...
Dynamic heterogeneity in life histories.
Tuljapurkar, Shripad; Steiner, Ulrich K; Orzack, Steven Hecht
2009-01-01
Longitudinal data on natural populations have been analysed using multistage models in which survival depends on reproductive stage, and individuals change stages according to a Markov chain. These models are special cases of stage-structured population models. We show that stage-structured models generate dynamic heterogeneity: life-history differences produced by stochastic stratum dynamics. We characterize dynamic heterogeneity in a range of species across taxa by properties of the Markov chain: the entropy, which describes the extent of heterogeneity, and the subdominant eigenvalue, which describes the persistence of reproductive success during the life of an individual. Trajectories of reproductive stage determine survivorship, and we analyse the variance in lifespan within and between trajectories of reproductive stage. We show how stage-structured models can be used to predict realized distributions of lifetime reproductive success. Dynamic heterogeneity contrasts with fixed heterogeneity: unobserved differences that generate variation between life histories. We show by an example that observed distributions of lifetime reproductive success are often consistent with the claim that little or no fixed heterogeneity influences this trait. We propose that dynamic heterogeneity provides a 'neutral' model for assessing the possible role of unobserved 'quality' differences between individuals. We discuss fitness for dynamic life histories, and the implications of dynamic heterogeneity for the evolution of life histories and senescence.
Takeuchi, Nozomu; Geller, Robert J.; Cummins, Phil R.
2000-04-01
We compute complete (including both body and surface waves) synthetic seismograms for laterally and vertically heterogeneous Earth models using the Direct Solution Method (DSM). We use the optimally accurate modified operators derived by Geller and Takeuchi [Geller, R.J., Takeuchi, N., 1995. A new method for computing highly accurate DSM synthetic seismograms. Geophys. J. Int. 123, 449-470] and extended to spherical coordinates by Takeuchi et al. [Takeuchi, N., Geller, R.J., Cummins, P.R., 1996. Highly accurate P-SV complete synthetic seismograms using modified DSM operators. Geophys. Res. Lett. 23, 1175-1178] and Cummins et al. [Cummins, P.R., Takeuchi, N., Geller, R.J., 1997. Computation of complete synthetic seismograms for laterally heterogenous models using the Direct Solution Method. Geophys. J. Int. 130, 1-16] for 1- and 3-D models, respectively. In this study we greatly reduce the CPU time by treating the laterally heterogeneous structure as a perturbation to a spherically symmetric model (i.e., using the Born approximation). Note, however, that (1) our methods do not require the use of the Born approximation and (2) the reference model for the Born approximation is not required to be spherically symmetric. The synthetic seismograms in this paper are computed using the first-order Born approximation. However, accuracy can be greatly improved by using higher order terms of the Born series; theoretical results are presented in this paper, and some preliminary numerical examples are presented in this volume by Igel et al. [Igel, H., Takeuchi, N., Geller, R.J., Megnin, C., Bunge, H.P., Clévédé, E., Dalkolmo, J., Romanowicz, B., 1998. The COSY project: verification of global seismic modeling algorithms, Phys. Earth Planet. Inter., this issue].
Radiative Transitions in Charmonium from Lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Jozef Dudek; Robert Edwards; David Richards
2006-01-17
Radiative transitions between charmonium states offer an insight into the internal structure of heavy-quark bound states within QCD. We compute, for the first time within lattice QCD, the transition form-factors of various multipolarities between the lightest few charmonium states. In addition, we compute the experimentally unobservable, but physically interesting vector form-factors of the {eta}{sub c}, J/{psi} and {chi}{sub c0}. To this end we apply an ambitious combination of lattice techniques, computing three-point functions with heavy domain wall fermions on an anisotropic lattice within the quenched approximation. With an anisotropy {xi} = 3 at a{sub s} {approx} 0.1 fm we find a reasonable gross spectrum and a hyperfine splitting {approx}90 MeV, which compares favorably with other improved actions. In general, after extrapolation of lattice data at non-zero Q{sup 2} to the photopoint, our results agree within errors with all well measured experimental values. Furthermore, results are compared with the expectations of simple quark models where we find that many features are in agreement; beyond this we propose the possibility of constraining such models using our extracted values of physically unobservable quantities such as the J/{psi} quadrupole moment. We conclude that our methods are successful and propose to apply them to the problem of radiative transitions involving hybrid mesons, with the eventual goal of predicting hybrid meson photoproduction rates at the GlueX experiment.
Mechanical cloak design by direct lattice transformation
Bückmann, Tiemo; Kadic, Muamer; Schittny, Robert; Wegener, Martin
2015-01-01
Spatial coordinate transformations have helped simplifying mathematical issues and solving complex boundary-value problems in physics for decades already. More recently, material-parameter transformations have also become an intuitive and powerful engineering tool for designing inhomogeneous and anisotropic material distributions that perform wanted functions, e.g., invisibility cloaking. A necessary mathematical prerequisite for this approach to work is that the underlying equations are form invariant with respect to general coordinate transformations. Unfortunately, this condition is not fulfilled in elastic–solid mechanics for materials that can be described by ordinary elasticity tensors. Here, we introduce a different and simpler approach. We directly transform the lattice points of a 2D discrete lattice composed of a single constituent material, while keeping the properties of the elements connecting the lattice points the same. After showing that the approach works in various areas, we focus on elastic–solid mechanics. As a demanding example, we cloak a void in an effective elastic material with respect to static uniaxial compression. Corresponding numerical calculations and experiments on polymer structures made by 3D printing are presented. The cloaking quality is quantified by comparing the average relative SD of the strain vectors outside of the cloaked void with respect to the homogeneous reference lattice. Theory and experiment agree and exhibit very good cloaking performance. PMID:25848021
Ultrastrong steel via minimal lattice misfit and high-density nanoprecipitation.
Jiang, Suihe; Wang, Hui; Wu, Yuan; Liu, Xiongjun; Chen, Honghong; Yao, Mengji; Gault, Baptiste; Ponge, Dirk; Raabe, Dierk; Hirata, Akihiko; Chen, Mingwei; Wang, Yandong; Lu, Zhaoping
2017-04-27
Next-generation high-performance structural materials are required for lightweight design strategies and advanced energy applications. Maraging steels, combining a martensite matrix with nanoprecipitates, are a class of high-strength materials with the potential for matching these demands. Their outstanding strength originates from semi-coherent precipitates, which unavoidably exhibit a heterogeneous distribution that creates large coherency strains, which in turn may promote crack initiation under load. Here we report a counterintuitive strategy for the design of ultrastrong steel alloys by high-density nanoprecipitation with minimal lattice misfit. We found that these highly dispersed, fully coherent precipitates (that is, the crystal lattice of the precipitates is almost the same as that of the surrounding matrix), showing very low lattice misfit with the matrix and high anti-phase boundary energy, strengthen alloys without sacrificing ductility. Such low lattice misfit (0.03 ± 0.04 per cent) decreases the nucleation barrier for precipitation, thus enabling and stabilizing nanoprecipitates with an extremely high number density (more than 1024 per cubic metre) and small size (about 2.7 ± 0.2 nanometres). The minimized elastic misfit strain around the particles does not contribute much to the dislocation interaction, which is typically needed for strength increase. Instead, our strengthening mechanism exploits the chemical ordering effect that creates backstresses (the forces opposing deformation) when precipitates are cut by dislocations. We create a class of steels, strengthened by Ni(Al,Fe) precipitates, with a strength of up to 2.2 gigapascals and good ductility (about 8.2 per cent). The chemical composition of the precipitates enables a substantial reduction in cost compared to conventional maraging steels owing to the replacement of the essential but high-cost alloying elements cobalt and titanium with inexpensive and lightweight aluminium
Convection-diffusion lattice Boltzmann scheme for irregular lattices
Sman, van der R.G.M.; Ernst, M.H.
2000-01-01
In this paper, a lattice Boltzmann (LB) scheme for convection diffusion on irregular lattices is presented, which is free of any interpolation or coarse graining step. The scheme is derived using the axioma that the velocity moments of the equilibrium distribution equal those of the
Gutiérrez-Rodríguez, Jorge; Gonçalves, João; Civantos, Emilio; Martínez-Solano, Iñigo
2017-10-01
Comparative landscape genetics studies can provide key information to implement cost-effective conservation measures favouring a broad set of taxa. These studies are scarce, particularly in Mediterranean areas, which include diverse but threatened biological communities. Here, we focus on Mediterranean wetlands in central Iberia and perform a multi-level, comparative study of two endemic pond-breeding amphibians, a salamander (Pleurodeles waltl) and a toad (Pelobates cultripes). We genotyped 411 salamanders from 20 populations and 306 toads from 16 populations at 18 and 16 microsatellite loci, respectively, and identified major factors associated with population connectivity through the analysis of three sets of variables potentially affecting gene flow at increasingly finer levels of spatial resolution. Topographic, land use/cover, and remotely sensed vegetation/moisture indices were used to derive optimized resistance surfaces for the two species. We found contrasting patterns of genetic structure, with stronger, finer scale genetic differentiation in Pleurodeles waltl, and notable differences in the role of fine-scale patterns of heterogeneity in vegetation cover and water content in shaping patterns of regional genetic structure in the two species. Overall, our results suggest a positive role of structural heterogeneity in population connectivity in pond-breeding amphibians, with habitat patches of Mediterranean scrubland and open oak woodlands ("dehesas") facilitating gene flow. Our study highlights the usefulness of remotely sensed continuous variables of land cover, vegetation and water content (e.g., NDVI, NDMI) in conservation-oriented studies aimed at identifying major drivers of population connectivity. © 2017 John Wiley & Sons Ltd.
Golberg, Alexander; Bruinsma, Bote G.; Uygun, Basak E.; Yarmush, Martin L.
2015-01-01
Irreversible electroporation (IRE) is an emerging, minimally invasive technique for solid tumors ablation, under clinical investigation for cancer therapy. IRE affects only the cell membrane, killing cells while preserving the extracellular matrix structure. Current reports indicate tumors recurrence rate after IRE averaging 31% of the cases, of which 10% are local recurrences. The mechanisms for these recurrences are not known and new explanations for incomplete cell death are needed. Using finite elements method for electric field distribution, we show that presence of vascular structures with blood leads to the redistribution of electric fields leading to the areas with more than 60% reduced electric field strength in proximity to large blood vessels and clustered vessel structures. In an in vivo rat model of liver IRE ablation, we show that cells located in the proximity of larger vessel structures and in proximity of clustered vessel structures appear less affected by IRE ablation than cells in the tissue parenchyma or in the proximity of small, more isolated vessels. These findings suggest a role for “electric field sinks” in local tumors recurrences after IRE and emphasize the importance of the precise mapping of the targeted organ structure and conductivity for planning of electroporation procedures. PMID:25684630
Golberg, Alexander; Bruinsma, Bote G; Uygun, Basak E; Yarmush, Martin L
2015-02-16
Irreversible electroporation (IRE) is an emerging, minimally invasive technique for solid tumors ablation, under clinical investigation for cancer therapy. IRE affects only the cell membrane, killing cells while preserving the extracellular matrix structure. Current reports indicate tumors recurrence rate after IRE averaging 31% of the cases, of which 10% are local recurrences. The mechanisms for these recurrences are not known and new explanations for incomplete cell death are needed. Using finite elements method for electric field distribution, we show that presence of vascular structures with blood leads to the redistribution of electric fields leading to the areas with more than 60% reduced electric field strength in proximity to large blood vessels and clustered vessel structures. In an in vivo rat model of liver IRE ablation, we show that cells located in the proximity of larger vessel structures and in proximity of clustered vessel structures appear less affected by IRE ablation than cells in the tissue parenchyma or in the proximity of small, more isolated vessels. These findings suggest a role for "electric field sinks" in local tumors recurrences after IRE and emphasize the importance of the precise mapping of the targeted organ structure and conductivity for planning of electroporation procedures.
Golberg, Alexander; Bruinsma, Bote G.; Uygun, Basak E.; Yarmush, Martin L.
2015-02-01
Irreversible electroporation (IRE) is an emerging, minimally invasive technique for solid tumors ablation, under clinical investigation for cancer therapy. IRE affects only the cell membrane, killing cells while preserving the extracellular matrix structure. Current reports indicate tumors recurrence rate after IRE averaging 31% of the cases, of which 10% are local recurrences. The mechanisms for these recurrences are not known and new explanations for incomplete cell death are needed. Using finite elements method for electric field distribution, we show that presence of vascular structures with blood leads to the redistribution of electric fields leading to the areas with more than 60% reduced electric field strength in proximity to large blood vessels and clustered vessel structures. In an in vivo rat model of liver IRE ablation, we show that cells located in the proximity of larger vessel structures and in proximity of clustered vessel structures appear less affected by IRE ablation than cells in the tissue parenchyma or in the proximity of small, more isolated vessels. These findings suggest a role for ``electric field sinks'' in local tumors recurrences after IRE and emphasize the importance of the precise mapping of the targeted organ structure and conductivity for planning of electroporation procedures.
Optical Abelian lattice gauge theories
Energy Technology Data Exchange (ETDEWEB)
Tagliacozzo, L., E-mail: luca.tagliacozzo@icfo.es [ICFO The Institute of Photonic Sciences, Av. Carl Friedrich Gauss, num. 3, E-08860 Castelldefels (Barcelona) (Spain); Celi, A., E-mail: alessio.celi@gmail.com [ICFO The Institute of Photonic Sciences, Av. Carl Friedrich Gauss, num. 3, E-08860 Castelldefels (Barcelona) (Spain); Zamora, A. [ICFO The Institute of Photonic Sciences, Av. Carl Friedrich Gauss, num. 3, E-08860 Castelldefels (Barcelona) (Spain); Lewenstein, M. [ICFO The Institute of Photonic Sciences, Av. Carl Friedrich Gauss, num. 3, E-08860 Castelldefels (Barcelona) (Spain); ICREA-Institucio Catalana de Recerca i Estudis Avancats, 08010 Barcelona (Spain)
2013-03-15
We discuss a general framework for the realization of a family of Abelian lattice gauge theories, i.e., link models or gauge magnets, in optical lattices. We analyze the properties of these models that make them suitable for quantum simulations. Within this class, we study in detail the phases of a U(1)-invariant lattice gauge theory in 2+1 dimensions, originally proposed by P. Orland. By using exact diagonalization, we extract the low-energy states for small lattices, up to 4 Multiplication-Sign 4. We confirm that the model has two phases, with the confined entangled one characterized by strings wrapping around the whole lattice. We explain how to study larger lattices by using either tensor network techniques or digital quantum simulations with Rydberg atoms loaded in optical lattices, where we discuss in detail a protocol for the preparation of the ground-state. We propose two key experimental tests that can be used as smoking gun of the proper implementation of a gauge theory in optical lattices. These tests consist in verifying the absence of spontaneous (gauge) symmetry breaking of the ground-state and the presence of charge confinement. We also comment on the relation between standard compact U(1) lattice gauge theory and the model considered in this paper. - Highlights: Black-Right-Pointing-Pointer We study the quantum simulation of dynamical gauge theories in optical lattices. Black-Right-Pointing-Pointer We focus on digital simulation of abelian lattice gauge theory. Black-Right-Pointing-Pointer We rediscover and discuss the puzzling phase diagram of gauge magnets. Black-Right-Pointing-Pointer We detail the protocol for time evolution and ground-state preparation in any phase. Black-Right-Pointing-Pointer We provide two experimental tests to validate gauge theory quantum simulators.
Thistle, David; Sedlacek, Linda; Carman, Kevin R.; Barry, James P.
2017-05-01
The sediment-covered deep-sea floor was initially thought to be environmentally homogeneous. Recent work has shown otherwise, and deep-sea ecologists have been searching for ecologically important environmental heterogeneities on different spatial and temporal scales, with particular interest in canyons. Here we report results for harpacticoid copepods from a site at 3262 m depth in the axis of Monterey Canyon and one on an escarpment 46 km away at 3090 m depth. Multivariate community analyses revealed significant differences between sites in community structure. Absolute abundance, the ratio of subadult copepodites to adults, species density, the proportion of the harpacticoid individuals that emerged, and the proportion that lived in tubes were significantly lower at the canyon site than at the escarpment site. The proportion of the harpacticoid individuals that belonged to the surface-dweller life-style group was significantly higher than at the escarpment site. These marked differences imply that ecologically important environmental heterogeneities exist. We speculate that differences between the sites in food conditions and sediment grain-size distributions are among them.
NMR-based diffusion lattice imaging.
Laun, Frederik Bernd; Müller, Lars; Kuder, Tristan Anselm
2016-03-01
Nuclear magnetic resonance (NMR) diffusion experiments are widely employed as they yield information about structures hindering the diffusion process, e.g., about cell membranes. While it has been shown in recent articles that these experiments can be used to determine the shape of closed pores averaged over a volume of interest, it is still an open question how much information can be gained in open well-connected systems. In this theoretical work, it is shown that the full structure information of connected periodic systems is accessible. To this end, the so-called "SEquential Rephasing by Pulsed field-gradient Encoding N Time intervals" (SERPENT) sequence is used, which employs several diffusion encoding gradient pulses with different amplitudes. Two two-dimensional solid matrices that are surrounded by an NMR-visible medium are considered: a hexagonal lattice of cylinders and a rectangular lattice of isosceles triangles.
NMR-based diffusion lattice imaging
Laun, Frederik Bernd; Müller, Lars; Kuder, Tristan Anselm
2016-03-01
Nuclear magnetic resonance (NMR) diffusion experiments are widely employed as they yield information about structures hindering the diffusion process, e.g., about cell membranes. While it has been shown in recent articles that these experiments can be used to determine the shape of closed pores averaged over a volume of interest, it is still an open question how much information can be gained in open well-connected systems. In this theoretical work, it is shown that the full structure information of connected periodic systems is accessible. To this end, the so-called "SEquential Rephasing by Pulsed field-gradient Encoding N Time intervals" (SERPENT) sequence is used, which employs several diffusion encoding gradient pulses with different amplitudes. Two two-dimensional solid matrices that are surrounded by an NMR-visible medium are considered: a hexagonal lattice of cylinders and a rectangular lattice of isosceles triangles.
DYNAMIC HETEROGENEITY IN LIFE HISTORIES
Tuljapurkar, Shripad; Steiner, Ulrich K.; Orzack, Steven Hecht
2008-01-01
Longitudinal data on natural populations have been analyzed using multi-stage models in which survival depends on reproductive stage, and individuals change stages according to a Markov chain. These models are special cases of stage-structured population models. We show that stage-structured models generate dynamic heterogeneity: life history differences produced by stochastic stratum dynamics. We characterize dynamic heterogeneity in a range of species across taxa by properties of the Markov...
Thompson, Laura H; Salim, Momina; Baloch, Chaker Riaz; Musa, Nighat; Reza, Tahira; Dar, Nosheen; Arian, Shahzad; Blanchard, James F; Emmanuel, Faran
2013-09-01
We sought to describe the characteristics and operational dynamics of male sex workers (MSW) and hijra sex workers (HSWs) in 11 cities across Pakistan in 2011. We report descriptive statistics of self-reported sexual behaviour data from cross-sectional mapping and biological and behavioural surveys conducted among 1431 MSWs and 1415 HSWs in four cities across Pakistan in 2011. While Karachi had the largest numbers of MSWs and HSWs, Quetta had the largest relative population sizes, with 3.6 MSWs per 1000 male adults and 3.3 HSWs per 1000 male adults. There was considerable variability in the proportion of HSWs who operate through deras, ranging from 2.2% in Peshawar to 62.7% in Karachi. The number of HSWs per guru varies by city, from 1.5 in Quetta to 16.5 HSWs per guru in Karachi. Among HSWs, the use of mobile phones for solicitation ranged from 37.6% in Quetta to 83% in Peshawar and among MSWs the use of mobile phones ranged from 27% in Karachi to 52% in Quetta. In Quetta, a large proportion of HSWs (41%) find clients through gurus. Client volume tended to be higher among HSWs and among both MSWs and HSWs in Quetta and Peshawar. Condom use with clients was most consistent in Quetta, with 31% of MSWs and 41% of HSWs reporting always using condoms with clients. Peshawar had the greatest proportion reporting never using condoms. There is considerable geographic heterogeneity in the characteristics and operational dynamics of MSWs and HSWs across Pakistan.
Misfit strain accommodation in epitaxial ABO3 perovskites: Lattice rotations and lattice modulations
Vailionis, A.; Boschker, H.; Siemons, W.; Houwman, E. P.; Blank, D. H. A.; Rijnders, G.; Koster, G.
2011-02-01
We present a study of the lattice response to the compressive and tensile biaxial stress in La0.67Sr0.33MnO3 (LSMO) and SrRuO3 (SRO) thin films grown on a variety of single-crystal substrates: SrTiO3, DyScO3, NdGaO3, and (La,Sr)(Al,Ta)O3. The results show that, in thin films under misfit strain, both SRO and LSMO lattices, which in bulk form have orthorhombic (SRO) and rhombohedral (LSMO) structures, assume unit cells that are monoclinic under compressive stress and tetragonal under tensile stress. The applied stress effectively modifies the BO6 octahedra rotations, whose degree and direction can be controlled by the magnitude and sign of the misfit strain. Such lattice distortions change the B-O-B bond angles and therefore are expected to affect magnetic and electronic properties of the ABO3 perovskites.
DEFF Research Database (Denmark)
Salonitis, Konstantinos; Chantzis, Dimitrios; Kappatos, Vasileios
2017-01-01
Components incorporating lattice structures have become very popular lately due to their lightweight nature and the flexibility that additive manufacturing offers with respect to their fabrication. However, design optimization of lattice components has been addressed so far either with empirical ...
Energy Technology Data Exchange (ETDEWEB)
Wan, William; Bian, Wen; McDonald, Michele; Kijac, Aleksandra; Wemmer, David E.; Stubbs, Gerald [UCB; (Vanderbilt); (LBNL)
2013-11-13
The fungal prion-forming domain HET-s(218–289) forms infectious amyloid fibrils at physiological pH that were shown by solid-state NMR to be assemblies of a two-rung β-solenoid structure. Under acidic conditions, HET-s(218–289) has been shown to form amyloid fibrils that have very low infectivity in vivo, but structural information about these fibrils has been very limited. We show by x-ray fiber diffraction that the HET-s(218–289) fibrils formed under acidic conditions have a stacked β-sheet architecture commonly found in short amyloidogenic peptides and denatured protein aggregates. At physiological pH, stacked β-sheet fibrils nucleate the formation of the infectious β-solenoid prions in a process of heterogeneous seeding, but do so with kinetic profiles distinct from those of spontaneous or homogeneous (seeded with infectious β-solenoid fibrils) fibrillization. Several serial passages of stacked β-sheet-seeded solutions lead to fibrillization kinetics similar to homogeneously seeded solutions. Our results directly show that structural mutation can occur between substantially different amyloid architectures, lending credence to the suggestion that the processes of strain adaptation and crossing species barriers are facilitated by structural mutation.
The lattice of ordinable topologies
Pachón Rubiano, Nestor
2012-01-01
We demonstrate that the ordinable topologies for a set X areprecisely those that occupy the upper part of the lattice of topologies for X, and that they determine a lattice, not always complete or distributive. We also found the amount of complements, and principal complements, for certainordinable topologies, generalizing a known result of P. S. Schnare.
Lattice thermal conductivity in layered BiCuSeO
Kumar, S.
2016-06-30
We quantify the low lattice thermal conductivity in layered BiCuSeO (the oxide with the highest known figure of merit). It turns out that the scattering of acoustical into optical phonons is strongly enhanced in the material because of the special structure of the phonon dispersion. For example, at room temperature the optical phonons account for an enormous 42% of the lattice thermal conductivity. We also quantify the anisotropy of the lattice thermal conductivity and determine the distribution of the mean free path of the phonons at different temperatures to provide a guide for tuning the thermal properties. © the Owner Societies 2016.
Vortices and vortex lattices in quantum ferrofluids.
Martin, A M; Marchant, N G; O'Dell, D H J; Parker, N G
2017-03-15
The experimental realization of quantum-degenerate Bose gases made of atoms with sizeable magnetic dipole moments has created a new type of fluid, known as a quantum ferrofluid, which combines the extraordinary properties of superfluidity and ferrofluidity. A hallmark of superfluids is that they are constrained to rotate through vortices with quantized circulation. In quantum ferrofluids the long-range dipolar interactions add new ingredients by inducing magnetostriction and instabilities, and also affect the structural properties of vortices and vortex lattices. Here we give a review of the theory of vortices in dipolar Bose-Einstein condensates, exploring the interplay of magnetism with vorticity and contrasting this with the established behaviour in non-dipolar condensates. We cover single vortex solutions, including structure, energy and stability, vortex pairs, including interactions and dynamics, and also vortex lattices. Our discussion is founded on the mean-field theory provided by the dipolar Gross-Pitaevskii equation, ranging from analytic treatments based on the Thomas-Fermi (hydrodynamic) and variational approaches to full numerical simulations. Routes for generating vortices in dipolar condensates are discussed, with particular attention paid to rotating condensates, where surface instabilities drive the nucleation of vortices, and lead to the emergence of rich and varied vortex lattice structures. We also present an outlook, including potential extensions to degenerate Fermi gases, quantum Hall physics, toroidal systems and the Berezinskii-Kosterlitz-Thouless transition.