Dynamical Jahn-Teller effect of fullerene anions
Liu, Dan; Iwahara, Naoya; Chibotaru, Liviu F.
2018-03-01
The dynamical Jahn-Teller effect of C60n - anions (n =1 -5) is studied using the numerical diagonalization of the linear pn⊗8 d Jahn-Teller Hamiltonian with the currently established coupling parameters. It is found that in all anions the Jahn-Teller effect stabilizes the low-spin states, resulting in the violation of Hund's rule. The energy gain due to the Jahn-Teller dynamics is found to be comparable to the static Jahn-Teller stabilization. The Jahn-Teller dynamics influences the thermodynamic properties via strong variation of the density of vibronic states with energy. Thus the large vibronic entropy in the low-spin states enhances the effective spin gap of C603 - quenching the spin crossover. From the calculations of the effective spin gap as a function of the Hund's rule coupling, we found that the latter should amount 40 ±5 meV in order to cope with the violation of Hund's rule and to reproduce the large spin gap. With the obtained numerical solutions, the matrix elements of electronic operators for the low-lying vibronic levels and the vibronic reduction factors are calculated for all anions.
Jahn-Teller effect: its history and applicability
International Nuclear Information System (INIS)
Teller, E.
1981-01-01
The interactions between Teller, Renner, Jahn and Landau which led to the formulation of the Jahn-Teller effect are discussed. The applicability of Jahn-Teller type of theory to superconductivity and the explanation proposed by the use of Goldstone particles are assessed
Structured emission of tetrahedral complexes due to Jahn-Teller and pseudo-Jahn-Teller effects
Czech Academy of Sciences Publication Activity Database
Bacci, M.; Porcinai, S.; Mihóková, Eva; Nikl, Martin; Polák, Karel
2001-01-01
Roč. 64, - (2001), s. 104302-1-104302-6 ISSN 0163-1829 R&D Projects: GA AV ČR IAB1010901; GA MŠk ME 462 Grant - others:NATO(XX) SfP 973510 Institutional research plan: CEZ:AV0Z1010914 Keywords : PbWO 4 * Jahn-Teller effect * exciton emission Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.070, year: 2001
The Jahn-Teller and pseudo Jahn-Teller effect in materials science
Bersuker, I. B.
2017-05-01
Defining materials science as a translation from microscopic foundations of matter to macroscopic performance in applications, this mostly review paper is devoted to the special features of matter with Jahn-Teller (JT) and pseudo JT (PJT) centers that makes it outstanding in the search of novel properties and applications as novel materials. There are three kinds of problems in this respect. The first is related to the difficulties in the use of computer simulation of observable properties (a methodology widely employed in materials science) in application to systems with dynamic JT and PJT effects. The second is due to the specifics of such systems in interaction with external perturbations, which contribute with a strong orientational effect that enhances the observable properties by orders of magnitude. The third kind of problems relevant to materials science is in the use of the JT and PJT effects in revealing the origin of structural properties of a relevant polyatomic system and working out methods to influence them in designing novel materials. The paper formulates these problems and provides for examples that demonstrate their importance. For the second group of problems, illustrative examples include flexoelectricity, permittivity, and electrostriction in systems with dynamical JT and PJT centers, and it is shown that the latter enhance the observable properties by several orders of magnitude. Also related to this group of problems are the magnetic-dielectric bistabilities in molecular systems and solids induced by JT and PJT effect, illustrated on molecules like CuF3 and crystals of the type LiCuO2. The third group of problems is shown by the already multiply used application of the PJTE to reveal the origin of distortions of planar configuration in 2D (graphene-like) and quasi-2D materials and to work out methods of restoration of their planar configurations by means of external perturbations.
The Jahn-Teller and pseudo Jahn-Teller effect in materials science
International Nuclear Information System (INIS)
Bersuker, I B
2017-01-01
Defining materials science as a translation from microscopic foundations of matter to macroscopic performance in applications , this mostly review paper is devoted to the special features of matter with Jahn-Teller (JT) and pseudo JT (PJT) centers that makes it outstanding in the search of novel properties and applications as novel materials. There are three kinds of problems in this respect. The first is related to the difficulties in the use of computer simulation of observable properties (a methodology widely employed in materials science) in application to systems with dynamic JT and PJT effects. The second is due to the specifics of such systems in interaction with external perturbations , which contribute with a strong orientational effect that enhances the observable properties by orders of magnitude. The third kind of problems relevant to materials science is in the use of the JT and PJT effects in revealing the origin of structural properties of a relevant polyatomic system and working out methods to influence them in designing novel materials.The paper formulates these problems and provides for examples that demonstrate their importance. For the second group of problems, illustrative examples include flexoelectricity, permittivity, and electrostriction in systems with dynamical JT and PJT centers, and it is shown that the latter enhance the observable properties by several orders of magnitude. Also related to this group of problems are the magnetic-dielectric bistabilities in molecular systems and solids induced by JT and PJT effect, illustrated on molecules like CuF_3 and crystals of the type LiCuO_2. The third group of problems is shown by the already multiply used application of the PJTE to reveal the origin of distortions of planar configuration in 2D (graphene-like) and quasi-2D materials and to work out methods of restoration of their planar configurations by means of external perturbations. (paper)
Properties of Manganites: Phase Diagram, Jahn-Teller effect
Energy Technology Data Exchange (ETDEWEB)
Dzero, M.; Gor' kov, L.; Kresin, V.
2001-07-27
Properties of manganites are greatly affected by cooperative Jahn-Teller effect and Hund's interaction. The insulating (undoped) as well as metallic ferromagnetic states can be described from a unified point of view based on two-band picture. The system is intrinsically inhomogeneous and the metal-insulator transition is treated by means of percolation theory.
Jahn-Teller effect fundamentals and implications for physics and chemistry
Koppel, Horst; Barentzen, Heinz
2009-01-01
The Jahn-Teller effect continues to be a paradigm for structural instabilities and dynamical processes in molecules and in the condensed phase. While the basic theorem, first published in 1937, had to await experimental verification for 15 years, the intervening years have seen rapid development, initially in the theoretical arena, followed increasingly by experimental work on molecules and crystals. Among the many important developments in the field we mention cooperative phenomena in crystals, the general importance of pseudo-Jahn-Teller couplings for symmetry-lowering phenomena in molecular systems, nonadiabatic processes at conical intersections of potential energy surfaces and extensions of the basic theory in relation to the discovery of fullerenes and other icosahedral systems. The aim of the present volume is to provide a survey of the state-of-the art in Jahn-Teller interactions at the interface of quantum chemistry and condensed matter physics.
Jahn Teller effect of cations in water: The cupric ion in water
Energy Technology Data Exchange (ETDEWEB)
Halley, J.W. [Minnesota Univ., Minneapolis, MN (United States). School of Physics and Astronomy; Wang, X.R. [Hong Kong Univ. of Science and Technology, Kowlon (Hong Kong). Dept. of Physics; Curtiss, L.A. [Argonne National Lab., IL (United States)
1993-02-01
We report a molecular dynamics model for the Jahn Teller effect in the solvation shell of a cation in solution in an aqueous liquid. We apply the model to the cupric ion and compare results with results of neutron scattering experiments on copper chlorate solutions. We conclude that the original interpretation of the experiments in terms of a Jan Teller effect may require modification.
International Nuclear Information System (INIS)
Hoffmann, S.K.
2000-01-01
Temperature cw-EPR and pulsed EPR electron spin echo experiments were performed for a low concentration of Cu 2+ ions in cubic SrF 2 crystals. The well resolved EPR spectrum at low temperatures (below 30 K) with parameters g parallel = 2.493, g perpendicular = 2.083, A parallel = 121, A perpendicular = 8.7, A parallel ( 19 F) = 135, A parallel ( 19 F) = 33.0 (A-values in 10 -4 cm -1 ) is transformed continuously into a single broad line above 225 K on heating, due to the g-factor shift and EPR line broadening. These data along with the angular variation EPR data are described in terms of a pseudo-Jahn-Teller effect of (T 2g +A 2u )x(a 1g +e g +t 1u ) type producing six off-centre positions of the Cu 2+ ion in the fluorine cube. Above 30 K a two-step averaging g -factor process occurs and is governed by vibronic dynamics between potential wells of the off-centre positions. This dynamics governs the electron spin relaxation in the whole temperature range. The electron spin-lattice relaxation rate 1/T 1 grows rapidly by six orders of magnitude in the temperature range 30-100 K and is determined by the Orbach-type process with excitations to two excited vibronic levels of energy 83 and 174 cm -1 . For higher temperatures the relaxation is dominated by overbarrier jumps leading to the isotropic EPR spectrum above 225 K. The phase memory time T M has the rigid lattice value 3.5 μs determined by nuclear spectral diffusion and its temperature variation is governed by the vibronic dynamics indicating that the excitations between vibronic levels produce a dephasing of the electron spin precessional motion. (author)
Mechanisms of localization in isotope-substituted dynamical Jahn-Teller systems
Iwahara, Naoya; Sato, Tohru; Tanaka, Kazuyoshi; Chibotaru, Liviu F.
2012-11-01
The mechanisms of localization of Jahn-Teller deformations and vibronic wave functions in isotope-substituted dynamical Jahn-Teller systems are elucidated. It is found that the localization in the trough is of potential type in the case of strong vibronic coupling, while it becomes of kinetic type in the case of intermediate and weak coupling. It is shown that the vibronic levels in the linear E⊗e problem remain double degenerate upon arbitrary isotope substitution on the reasons similar to time reversal symmetry in which the role of spin is played by orbital pseudospin. This paper is dedicated to Prof. Isaac Bersuker on the occasion of his 85th birthday.
PREFACE: XXIst International Symposium on the Jahn-Teller Effect 2012
Koizumi, Hiroyasu
2013-04-01
(The PDF contains the full conference program, the list of sponsors and the conference poster.) The 21st International Symposium on the Jahn-Teller effect was held at the University of Tsukuba, Japan, from 26-31 August 2012. People from 23 different countries participated and the number of registered participants was 118. In this symposium, the phrase 'Jahn-Teller effect' was taken to have a rather broad meaning. We discussed the Jahn-Teller and pseudo Jahn-Teller distortions. We also discussed general vibronic problems, and the problems associated with the conical intersections of the potential energy surfaces. As is indicated in the subtitle of the present symposium, 'Physics and Chemistry of Symmetry Breaking', a number of different topics concerning symmetry breaking were also extensively discussed. In particular, we had many discussions on magnetism, ferroelectricity, and superconductivity. A subtle but important problem that was dealt with was the appearance of multi-valuedness in the use of multi-component wave functions. In the Jahn-Teller problems, we almost always use the multi-component wave functions, thus, the knowledge of the proper handling of multi-valuedness is very important. Digital computers are not good at dealing with multi-valuedness, but we need to somehow handle it in our calculations. A very well known example of successful handling is found in the problem of the molecular system with the conical intersection: we cannot obtain the solution that satisfies the single-valuedness of wave functions (SVWF) just using the potential energy surface generated by a package program, and solving the Schrödinger equation with the quantum Hamiltonian constructed from the classical counterpart by replacing the classical variables with the corresponding operators; however, if a gauge potential is included and the double-valuedness of the electronic wave functions around the conical intersections is taken into account, the solution that satisfies the SVWF
Pseudo Jahn-Teller effect in the origin of enhanced flexoelectricity
Bersuker, I. B.
2015-01-01
The controversy between the theory and experiment in explaining the origin of enhanced flexoelectricity is removed by taking into account the pseudo Jahn-Teller effect (PJTE) which, under certain conditions, creates local dipolar distortions of dynamic nature, resonating between two or more equivalent orientations. The latter become nonequivalent under a strain gradient thus producing enhanced flexoelectricity: it is much easier to orient ready-made dipoles than to polarize an ionic solid. For BaTiO3, the obtained earlier numerical data for the adiabatic potential energy surface in the space of dipolar displacements in the Ti centers were used to estimate the flexoelectric coefficient f in the paraelectric phase in a one-dimensional model with the strain gradient along the [111] direction: f = -0.43 × 10-6 Cm-1. This eliminates the huge contradiction between the experimental data of f ˜ μ Cm-1 for this case and the theoretical predictions (without the PJTE) of 3-4 orders-of-magnitude smaller values. Enhanced flexoelectricity is thus expected in solids with a sufficient density of centers that have PJTE induced dipolar instabilities. It explains also the origin of enhanced flexoelectricity observed in other solids, noticeable containing Nb perovskite centers which are known to have a PJTE instability, similar to that of Ti centers. The SrTiO3 crystal as a virtual ferroelectric in which the strain gradient eases the condition of PJTE polar instability is also discussed.
Effect of Jahn-Teller distortion on the short range magnetic order in copper ferrite
Energy Technology Data Exchange (ETDEWEB)
Abdellatif, M.H., E-mail: Mohamed.abdellatif@iit.it [Nanostrctures Department, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genova (Italy); Innocenti, Claudia [INSTM—Department of Chemistry, University of Florence, via della Lastruccia 3, I-50019 Sesto Fiorentino, FI (Italy); Liakos, Ioannis [Nanostrctures Department, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genova (Italy); Scarpellini, Alice; Marras, Sergio [Nanochemistry Department, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genova (Italy); Salerno, Marco [Nanostrctures Department, Istituto Italiano di Tecnologia, via Morego 30, I-16163 Genova (Italy)
2017-02-15
Copper ferrite of spinel crystal structure was synthesized in the form of nano-particles using citrate-gel auto-combustion method. The sample morphology and composition were identified using scanning electron microscopy, X-ray diffraction, and X-ray spectroscopy. The latter technique reveals an inverse spinel structure with Jahn-Teller tetragonal distortion. The static magnetization was measured using vibrating sample magnetometer. Magnetic force microscopy was used in combination with the magnetization data to demonstrate the finite size effect of the magnetic spins and their casting behavior due to the introduction of copper ions in the tetrahedral magnetic sub-lattices, which results in tetragonal distorting the spinel structure of the copper ferrite. The magnetic properties of materials are a result of the collective behavior of the magnetic spins, and magnetic force microscopy can probe the collective behavior of the magnetic spins in copper ferrite, yet providing a sufficient resolution to map the effects below the micrometer size scale, such as the magnetic spin canting. A theoretical study was done to clarify the finite size effect of Jahn-Teller distortion on the magnetic properties of the material. When the particles are in the nano-scale, below the single domain size, their magnetic properties are very sensitive to their size change. - Highlights: • The spin canting due to Jahn-Teller distortion in Copper ferrite can be detected using magnetic force microscope. • The contrast in the magnetic AFM image can be analyzed to give information not only about the surface spins but also about the canting of the core spins inside the aggregated cluster of magnetic nanoparticle.
International Nuclear Information System (INIS)
2017-01-01
ForewordThis issue of J. Phys. Conf. Series contains the proceedings of the 23"r"d International Symposium on the Jahn-Teller Effect with the main title “Vibronic coupling and electron-phonon interaction in molecules and crystals”, which took place in Tartu (Estonia), August 27-September 1, 2016, bringing together over 70 participants from various fields of physics and chemistry. More information on the symposium program can be found at https://ttl.ut.ee/jt16/.The series of mostly biannual Jahn-Teller symposia started in 1976. It addresses topics involving the coupling between electronic and nuclear motions in molecules and solids in conditions of electronic degeneracy and pseudodegeneracy. The Jahn-Teller effect, pseudo Jahn-Teller effect, and related vibronic coupling and electron-phonon interactions are responsible for structural instabilities and non-trivial dynamics in polyatomic systems, including pseudo-rotations and non-adiabatic effects around conical intersections and seams, and play a key role in the explanation of seemingly diverse phenomena, such as spontaneous symmetry breakings, structural phase transitions, colossal magnetoresistance, exotic molecular magnetism, superconductivity in fullerides, giant permittivity and flexoelectricity, and chemical reactions after thermo- or photoexcitation. The meeting brings together theoreticians and experimentalists working in molecular physics and chemistry with researches working in solid state physics.A characteristic of these symposia is that they are devoted to discussion of a wide range of physical and chemical phenomena which, at first sight, are different in scope and nature, but in fact they are strongly entangled by vibronic coupling, and their joint presentation and discussion is deemed to mutually enrich the presenters from different fields with stimulating novel ideas.The 23"r"d Symposium included the following topics:• Fundamental theory, computation, and experimental observation of vibronic
The Jahn-Teller effect and vibronic coupling at deep levels in diamond
International Nuclear Information System (INIS)
Davies, G.
1981-01-01
This paper reviews the vibronic properties of point defects (i.e. impurities and radiation-induced defects) in diamond. Cases discussed are: defects where the totally symmetric electron-lattice interaction dominates; cases of dynamic Jahn-Teller distortions; vibronic interactions between nearly degenerate states; and a statically deformed defect. Before discussing each of these topics the relevant theory is outlined at an introductory level with the emphasis on features relevant to understanding data. It is shown that a good understanding of the vibronic data is now available in diamond. Compared to defects in silicon, defects in diamond are less prone to static deformations, partly as a result of the high-energy transverse acoustic modes in diamond. (author)
Theory of the carbon vacancy in 4 H -SiC: Crystal field and pseudo-Jahn-Teller effects
Coutinho, José; Torres, Vitor J. B.; Demmouche, Kamel; Öberg, Sven
2017-11-01
The carbon vacancy in 4 H -SiC is a powerful minority carrier recombination center in as-grown material and a major cause of degradation of SiC-based devices. Despite the extensiveness and maturity of the literature regarding the characterization and modeling of the defect, many fundamental questions persist. Among them, we have the shaky connection of the EPR data to the electrical measurements lacking sublattice site resolution, the physical origin of the pseudo-Jahn-Teller effect, the reasoning for the observed sublattice dependence of the paramagnetic states, and the severe temperature dependence of some hyperfine signals, which cannot be accounted for by a thermally activated dynamic averaging between equivalent Jahn-Teller distorted structures. In this work, we address these problems by means of semilocal and hybrid density functional calculations. We start by inventorying a total of four different vacancy structures from the analysis of relative energies. Diamagnetic states have well defined low-energy structures, whereas paramagnetic states display metastability. The reasoning for the rich structural variety is traced back to the filling of electronic states which are shaped by a crystal-field-dependent (and therefore site-dependent) pseudo-Jahn-Teller effect. From calculated minimum energy paths for defect rotation and transformation mechanisms, combined with the calculated formation energies and electrical levels, we arrived at a configuration-coordinate diagram of the defect. The diagram provides us with a detailed first-principles picture of the defect when subject to thermal excitations. The calculated acceptor and donor transitions agree well with the binding energies of electrons emitted from the Z1 /2 and EH6 /7 traps, respectively. From the comparison of calculated and measured U -values, and correlating the site-dependent formation energies with the relative intensity of the DLTS peaks in as-grown material, we assign Z1 (EH6) and Z2 (EH7) signals
Kemei, Moureen C.; Moffitt, Stephanie L.; Darago, Lucy E.; Seshadri, Ram; Suchomel, Matthew R.; Shoemaker, Daniel P.; Page, Katharine; Siewenie, Joan
2014-05-01
We examine the effect of small amounts of magnetic substituents in the A sites of the frustrated spinels MgCr2O4 and ZnCr2O4. Specifically, we look for the effects of spin and lattice disorder on structural changes accompanying magnetic ordering in these compounds. Substitution of Co2+ on the nonmagnetic Zn2+ site in Zn1-xCoxCr2O4 where 0 occurs at very low temperatures of T occurring below 20 K without any further lattice distortion. The Jahn-Teller distorted solid solutions Mg1-xCuxCr2O4 and Zn1-xCuxCr2O4 adopt the orthorhombic Fddd structure of ferrimagnetic CuCr2O4. Total neutron scattering studies of Zn1-xCuxCr2O4 suggest that there are local AO4 distortions in these Cu2+-containing solid solutions at room temperature and that these distortions become cooperative when average structure distortions occur. Magnetism evolves from compensated antiferromagnetism in MgCr2O4 and ZnCr2O4 to uncompensated antiferromagnetism with substitution of magnetic cations on the nonmagnetic cation sites of these frustrated compounds. The sharp heat capacity anomalies associated with the first-order spin-Jahn-Teller transitions of MgCr2O4 and ZnCr2O4 become broad in Mg1-xCuxCr2O4, Zn1-xCoxCr2O4, and Zn1-xCuxCr2O4 when x > 0. We present a temperature-composition phase diagram summarizing the structural ground states and magnetic properties of the studied spinel solid solutions.
Peters, William K.; Tiwari, Vivek; Jonas, David M.
2017-11-01
The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between
Andrew Liehr and the structure of Jahn-Teller surfaces
Chibotaru, Liviu F.; Iwahara, Naoya
2017-05-01
The present article is an attempt to draw attention to a seminal work by Andrew Liehr “Topological aspects of conformational stability problem” [1, 2] issued more than half century ago. The importance of this work stems from two aspects of static Jahn-Teller and pseudo-Jahn-Teller problems fully developed by the author. First, the work of Liehr offers an almost complete overview of adiabatic potential energy surfaces for most known Jahn-Teller problems including linear, quadratic and higher-order vibronic couplings. Second, and most importantly, it identifies the factors defining the structure of Jahn-Teller surfaces. Among them, one should specially mention the minimax principle stating that the distorted Jahn-Teller systems tend to preserve the highest symmetry consistent with the loss of their orbital degeneracy. We believe that the present short reminiscence not only will introduce a key Jahn-Teller scientist to the young members of the community but also will serve as a vivid example of how a complete understanding of a complex problem, which the Jahn-Teller effect certainly was in the beginning of 1960s, can be achieved.
Magnetoelastic effects in Jahn-Teller distorted CrF2 and CuF2 studied by neutron powder diffraction
International Nuclear Information System (INIS)
Chatterji, Tapan; Hansen, Thomas C
2011-01-01
We have studied the temperature dependence of the crystal and magnetic structures of the Jahn-Teller distorted transition metal difluorides CrF 2 and CuF 2 by neutron powder diffraction in the temperature range 2-280 K. The lattice parameters and the unit cell volume show magnetoelastic effects below the Neel temperature. The lattice strain due to the magnetostriction effect couples with the square of the order parameter of the antiferromagnetic phase transition. We also investigated the temperature dependence of the Jahn-Teller distortion, which does not show any significant effect at the antiferromagnetic phase transition but increases linearly with increasing temperature for CrF 2 , and remains almost independent of temperature in CuF 2 . The magnitude of magnetovolume effect seems to increase with the low temperature saturated magnetic moment of the transition metal ions but the correlation is not at all perfect.
Modulation of Jahn-Teller effect on magnetization and spontaneous electric polarization of CuFeO2
Xiao, Guiling; Xia, Zhengcai; Wei, Meng; Huang, Sha; Shi, Liran; Zhang, Xiaoxing; Wu, Huan; Yang, Feng; Song, Yujie; Ouyang, Zhongwen
2018-03-01
CuFe0.99Mn0.01O2 and CuFe0.99Co0.01O2 single crystal samples are grown by a floating zone technique and their magnetization and spontaneous electric polarization have been investigated. Similarly with pure CuFeO2, an obviously anisotropic magnetization and spontaneous electric polarization were observed in the both doped samples, and their phase transition critical fields and temperatures are directly doping ion dependent. Considering the different d-shell configuration and ionic size between Mn3+, Co3+ and Fe3+ ions, in which the Mn3+ ion with Jahn-Teller (J-T) effect has different distortion on the geometry frustration from both of Fe3+ and Co3+ ion. Since for Mn3+ ion, the orbital splitting results from the low-symmetry J-T distortion in a crystal-field environment leads to a distorted MnO6 octahedron, which different from undistorted FeO6 and CoO6 octahedrons. The strain between distorted and undistorted octahedrons produces different effects on the spin reorientation transition and spontaneous electric polarization. Although the pure CuFeO2 has a very strong and robust frustration, the presence of the strain due to the random distribution of distorted MnO6 octahedron and undistorted CoO6 (FeO6) octahedrons leads to its spin reorientation transitions and spontaneous electric polarization different from CuFeO2.
Garcia-Fernandez, Pablo; Bersuker, Isaac B; Boggs, James E
2007-10-18
The unexpected bent geometries of some alkaline earth dihalides and dihydrides, ML(2) (M = Ca, Sr, Ba; L = H, F, Cl, Br) have been explained in the literature using various models that attribute the effect to different phenomena like covalency, metal core polarization, sd-hybridization, and electron pair repulsion. We employ (based on first principles) the pseudo Jahn-Teller effect, as the only source of instability of high-symmetry configurations in nondegenerate states, to analyze the origin of the geometry of these systems and show that this approach explains all of their main structural features, including the topology of the Laplacian of the electron density and the vibrational frequencies. The main contribution to the distortion of the linear configuration is due to the pseudo Jahn-Teller mixing by bending of the sigma(u) HOMO formed by the ligand orbitals with the unoccupied pig orbitals of the metal (with main d(xz) and d(yz) character), resulting in new covalency which stabilizes the bent configuration. We show that the model approaches to the problem, mentioned above, are either restricted particular cases of the pseudo Jahn-Teller interaction, or they yield very small contributions to the instability that do not explain the origin of the bending. All of our conclusions are supported by high-quality ab initio calculations.
Tantardini, Christian; Benassi, Enrico
2018-04-03
Cobaltite YBaCo4O7, abbreviated as Y114, is one of the most thoroughly investigated perovskites, owing largely to its interesting magnetic properties. Y114 is an insulator as a result of the cooperative Jahn-Teller effect, where one electron jumps quickly from one cobalt site to another, making it impossible to experimentally assign the correct oxidation state for each of the two cobalt sites. The present study solved the ambiguity by means of state-of-the-art DFT calculations. The two cobalt sites were differentiated through an analysis of charge density within the framework of the quantum theory of atoms in molecules.
Jacovella, Ugo; Wörner, Hans Jakob; Merkt, Frédéric
2018-01-01
This article presents the current status of the knowledge of the rovibronic energy-level structure of CH4+ obtained by high-resolution photoelectron spectroscopy. The results of previous investigations are summarized and extended by new results obtained by double-resonance experiments involving vacuum-ultraviolet and mid-infrared laser radiation. These experiments have led to assignments of the nuclear-spin symmetry of 303 rovibrational levels of CH4+ with up to 3575 cm-1 of internal excitation. A two-dimensional model of the pseudorotational motion of CH4+ is also presented, with which the positions and vibronic symmetry of the low-lying vibronic levels of CH4+ can be predicted. The model maps the F ⊗ (f ⊕e) Jahn-Teller problem for the e and f2 modes corresponding to the Csbnd H bending motion onto a sphere, including the effects of both linear and quadratic Jahn-Teller coupling terms. The pseudorotation eigenstates are obtained by solving the two-dimensional Schrödinger equation using a basis of spherical harmonics.
Off-center Jahn-Teller ion: coupled polar and tetragonal deformations
International Nuclear Information System (INIS)
Vikhnin, V.S.; Sochava, L.S.
1979-01-01
Models of the off-center Jahn-Teller ions are considered, i.e. Ni + in SrO and Cu 27 in SrO studied earlier. Models of the off-center Jahn-Teller ion are proposed, in which mutual effect of dipole-active deformations conditioning off-centering and the Jahn-Teller tetragonal deformations takes place. Manifestations of a new type of multipit potential XY 24 of an off-center ion are considered. The Jahn-Teller effect (JTE) is studied for a duplicate in cubic environment, unharmonism of the fourth order being taken into account. In such a model of Exe of JTE, the position and quantity of minima of adiabatic potential are changed as compared with Exe of JTE taking account of unharmonism of the third order or the square Jahn-Teller interaction. While using models of the off-center Jahn-Teller ion which take account of the effect of two tetragonal Jahn-Teller deformations occurring in the Exe problem considering unharmonism of the fourth order produced on dipole-active deformations, it becomes possible to explain the experiment for SrO:Ni +
Group invariance of Jahn-Teller systems and determination of Jahn-Teller interaction matrices
International Nuclear Information System (INIS)
Tuetuencueler, H.; Koc, R.
2002-01-01
We provide a group Theoretical treatment of a Jahn-Teller distortion. We show Jahn-Teller interaction matrices can be obtained by breaking symmetries of the parent group into its maximal little groups. Our method is demonstrated on some physical systems
Hu Liang Bing; Zhu Hong; Zhang Yu Heng
2003-01-01
The magnetism and magnetotransport properties of doped perovskite LaMn sub 1 sub - sub x Zn sub x O sub 3 (x = 0.05, 0.10, 0.15, 0.20, 0.30, 0.40) have been studied. All samples exhibit insulating behaviour under zero field and a 6 T field (except for x = 0.05, the weak insulating-metallic transition occurs near T sub C under zero field), but there is a paramagnetic-ferromagnetic (PM-FM) transition and a large MR effect near T sub C. The rho- T curves are fitted well by a semiconductor-like model. We suggest that the MnO sub 6 octahedron is contorted by zinc doping and that this contortion will influence the Jahn-Teller (JT) distortion of Mn sup 3 sup +. The e sub g carrier has to overcome the energy gap caused by the difference between the JT distortions induced by Mn sup 3 sup + in the non-contorted MnO sub 6 octahedrons and the contorted ones. Infrared spectra and Raman spectra confirmed our ideas. In addition, the magnetism was investigated by ESR and M-T measurements. The Zn doping suppresses the PM-FM t...
DEFF Research Database (Denmark)
Aramburu, José Antonio; García-Fernández, Pablo; García Lastra, Juan Maria
2016-01-01
that the anomalous positive g∥ shift (g∥−g0=0.065) measured at T=20 K obeys the superposition of the |3 z2−r2⟩ and |x2−y2⟩ states driven by quantum effects associated with the zero-point motion, a mechanism first put forward by O'Brien for static Jahn–Teller systems and later extended by Ham to the dynamic Jahn......–Teller case. To our knowledge, this is the first genuine Jahn–Teller system (i.e. in which exact degeneracy exists at the high-symmetry configuration) exhibiting a compressed equilibrium geometry for which large quantum effects allow experimental observation of the effect predicted by O'Brien. Analysis...
Toyota, Azumao; Muramatsu, Takashi; Koseki, Shiro
2017-03-23
Stable geometrical structures for formonitrile imine (1) and N-substituted nitrile imines HCN 2 -R (R = Li, BeH, BH 2 , CH 3 , CN, CCH, C 6 H 5 , NH 2 , OH, and F) (2-11) were examined by using the multiconfiguration self-consistent-field (MCSCF) method followed by second-order configuration interaction (SOCI) calculations and second-order multiconfiguration quasi-degenerate perturbation theory (MCQDPT2) calculations, together with the aug-cc-pVTZ basis sets. The results show that 1 suffers a pseudo-Jahn-Teller (JT) distortion from a linear C ∞v structure to a C 1 structure via a planar bent C s structure. Each of the others is found to undergo pseudo-JT distortion from a symmetrical structure to a planar bent C s structure for 2, 3, and 7 and to a C 1 structure for 4, 5, 6, 8, 9, 10, and 11. At the stationary structures of 1-11, the structural characteristics were briefly discussed in terms of allenic and propargylic. To elucidate the nature of pseudo-JT distortions, energy component analyses were carried out at the MCSCF+SOCI level of theory at all of the stationary structures for the relevant molecules. In most of the molecules examined, pseudo-JT stabilizations were classified into two groups, one in which the stability arises from a lowering of the energy of the attractive term V en and the other in which the stability results from a lowering of the energy of the repulsive terms V nn and V ee . In addition to the above two groups, it was also found that the following three groups are responsible for the pseudo-JT stabilizations in a certain stage of the structural changes. Namely, one is a lowering of the energy of the term V ee observed in 6, another is a lowering of the energy of the terms V ee and V en observed in 9-11, and the other is a lowering of the energy of the terms V en and V nn observed in 10. These energetic behaviors were accounted in terms of an elongation or a contraction of the molecular skeleton, a migration of electrons from one part of
Dunaevskij, S M
2001-01-01
The calculation of the E(k) dispersion curves of the charge carriers in the LaMnO sub 3 -type perovskites for the basic types of the Mn sublattice squinted antiferromagnetic ordering is carried out within the frames of the strong coupling method. The calculation of the E(k) spectrum of the antiferromagnetic structures is accomplished for the first time with an account of the manganese e sub g -level degeneration and the Jahn-Teller distortion of the perovskite cubic structure, which required diagonalization of the eight order Hamiltonian matrices. The analytical expressions for the E(k) functions in the separate points and on the individual lines of the corresponding Brillouin zone are obtained. The accomplished calculations showed, that there can be no electron-hole symmetry of properties in the La sub 1 sub - sub x Ca sub x MnO sub 3 system
Krzystek, J; Yeagle, Gregory J; Park, Ju-Hyun; Britt, R David; Meisel, Mark W; Brunel, Louis-Claude; Telser, Joshua
2003-07-28
High-frequency and -field electron paramagnetic resonance (HFEPR) spectroscopy of a classical coordination complex, Mn(acac)(3) (Hacac = 2,4-pentanedione), has been performed on both solid powder and frozen solution (in CH(2)Cl(2)/toluene, 3:2 v/v) samples. Parallel mode detection X-band EPR spectra exhibiting resolved (55)Mn hyperfine coupling were additionally obtained for frozen solutions. Magnetic susceptibility and field-dependent magnetization measurements were also made on powder samples. Analysis of the entire EPR data set for the frozen solution allowed extraction of the relevant spin Hamiltonian parameters: D = -4.52(2); |E| = 0.25(2) cm(-1); g(iso) = 1.99(1). The somewhat lower quality solid-state HFEPR data and the magnetic measurements confirmed these parameters. These parameters are compared to those for other complexes of Mn(III) and to previous studies on Mn(acac)(3) using X-ray crystallography, solution electronic absorption spectroscopy, and powder magnetic susceptibility. Crystal structures have been reported for Mn(acac)(3) and show tetragonal distortion, as expected for this Jahn-Teller ion (Mn(3+), 3d(4)). However, in one case, the molecule exhibits axial compression and, in another, axial elongation. The current HFEPR studies clearly show the negative sign of D, which corresponds to an axial (tetragonal) elongation in frozen solution. The correspondence among solution and solid-state HFEPR data, solid-state magnetic measurements, and an HFEPR study by others on a related complex indicates that the form of Mn(acac)(3) studied here exhibits axial elongation in all cases. Such tetragonal elongation has been found for Mn(3+) and Cr(2+) complexes with homoleptic pseudooctahedral geometry as well as for Mn(3+) in square pyramidal geometry. This taken together with the results obtained here for Mn(acac)(3) in frozen solution indicates that axial elongation could be considered the "natural" form of Jahn-Teller distortion for octahedral high-spin 3d(4
Hosain, M A; Le Floch, J-M; Krupka, J; Tobar, M E
2018-01-10
The impurity paramagnetic ion, [Formula: see text] substitutes Al in the [Formula: see text] single crystal lattice, this results in a [Formula: see text] elongated octahedron, and the resulting measured g-factors satisfy four-fold axes variation condition. The aggregate frequency width of the electron spin resonance with the required minimum level of impurity concentration has been evaluated in this single crystal [Formula: see text] at 20 millikelvin. Measured parallel hyperfine constants, [Formula: see text], were determined to be [Formula: see text] and [Formula: see text] at [Formula: see text] for the nuclear magnetic quantum number [Formula: see text], and [Formula: see text] respectively. The anisotropy of the hyperfine structure reveals the characteristics of the static Jahn-Teller effect. The second-order-anisotropy term, [Formula: see text], is significant and cannot be disregarded, with the local strain dominating over the observed Zeeman-anisotropy-energy difference. The Bohr electron magneton, [Formula: see text], (within [Formula: see text] so-called experimental error) has been found using the measured spin-Hamiltonian parameters. Measured nuclear dipolar hyperfine structure parameter [Formula: see text] shows that the mean inverse third power of the electron distance from the nucleus is [Formula: see text] a.u. for [Formula: see text] ion in the substituted [Formula: see text] ion site assuming nuclear electric quadruple moment [Formula: see text] barn.
Band Jahn-Teller structural phase transition in Y2In
Svanidze, E.; Georgen, C.; Hallas, A. M.; Huang, Q.; Santiago, J. M.; Lynn, J. W.; Morosan, E.
2018-02-01
The number of paramagnetic materials that undergo a structural phase transition is rather small, which can perhaps explain the limited understanding of the band Jahn-Teller mechanism responsible for this effect. Here we present a structural phase transition observed in paramagnetic Y2In at temperature T0=250 ±5 K. Below T0, the high-temperature hexagonal P 63/m m c phase transforms into the low-temperature orthorhombic P n m a phase. This transition is accompanied by an unambiguous thermal hysteresis of about 10 K, observed in both magnetic susceptibility M /H (T ) and resistivity ρ (T ) , indicating a first-order transition. Band structure calculations suggest a band Jahn-Teller mechanism, during which the degeneracy of electron bands close to the Fermi energy is broken. We establish that this structural phase transition does not have a magnetic component; however, the possibility of a charge density wave formation has not been eliminated.
Hosain, M. A.; Le Floch, J.-M.; Krupka, J.; Tobar, M. E.
2018-01-01
The impurity paramagnetic ion, Cu2+ substitutes Al in the SrLaAlO4 single crystal lattice, this results in a CuO6 elongated octahedron, and the resulting measured g-factors satisfy four-fold axes variation condition. The aggregate frequency width of the electron spin resonance with the required minimum level of impurity concentration has been evaluated in this single crystal SrLaAlO4 at 20 millikelvin. Measured parallel hyperfine constants, A\\Vert Cu , were determined to be -155.7×10-4~cm-1, ~ -163.0×10-4~cm-1, ~ -178.3×10-4~cm-1 and -211.1×10-4~cm-1 at 9.072~GHz~(WGH4, 1, 1) for the nuclear magnetic quantum number M_I=+\\frac{3}{2}, +\\frac{1}{2}, -\\frac{1}{2} , and -\\frac{3}{2} respectively. The anisotropy of the hyperfine structure reveals the characteristics of the static Jahn-Teller effect. The second-order-anisotropy term, ˜ (\\fracspin{-orbit~coupling}{10D_q}){\\hspace{0pt}}2 , is significant and cannot be disregarded, with the local strain dominating over the observed Zeeman-anisotropy-energy difference. The Bohr electron magneton, β=9.23× 10-24 JT-1 , (within -0.43% so-called experimental error) has been found using the measured spin-Hamiltonian parameters. Measured nuclear dipolar hyperfine structure parameter P\\Vert=12.3×10-4~cm-1 shows that the mean inverse third power of the electron distance from the nucleus is ≃ 5.23 a.u. for Cu2+ ion in the substituted Al3+ ion site assuming nuclear electric quadruple moment Q=-0.211 barn.
Konarev, Dmitri V; Kuzmin, Alexey V; Simonov, Sergey V; Yudanova, Evgeniya I; Khasanov, Salavat S; Saito, Gunzi; Lyubovskaya, Rimma N
2013-06-21
New fullerene salts (TMP(+))2·(C60(2-))·(C6H4Cl2)2 (1), {DB-18-crown-6·[Na(+)]·(C6H5CN)2}2·(C60(2-))·C6H5CN·C6H4Cl2 (2), {cryptand[2,2,2]·(Na(+))}2·(C60(2-)) (3) and (PPN(+))2·(C60(2-))·(C6H4Cl2)2 (4) were obtained as single crystals. Their crystal structures were solved and their optical and magnetic properties were analyzed. The spectra of the salts in the IR and UV-visible-NIR ranges indicate the formation of C60(2-) dianions in 1-4. These salts show similar behavior in EPR measurements, explained by the diamagnetic ground state of the C60(2-) dianions and the thermal population of the excited triplet state, which is separated by an energy gap of 487-540 cm(-1). The magnetic susceptibility of 4 also increased above 130 K due to the population of the excited triplet state. The observed splitting of the C60 LUMO is attributed to the Jahn-Teller (JT) effect. We analyzed the splitting by an extended Hückel method using the single-crystal structural data for the compounds containing neutral, mono- and dianions of C60. The splitting of the initially triply degenerated C60 LUMO produces three molecular orbitals. The gap between the lowest and highest orbitals is very small in neutral C60 (128-140 cm(-1)), it increases in C60(˙-) (500-710 cm(-1)) and increases further in C60(2-) (1080-1670 cm(-1)). It was found that the splitting of the C60 LUMO is realized in different ways for the mono- and dianions. The ground and first excited state are separated in C60(˙-) by a small gap of 55-180 cm(-1) only. This gap is noticeably larger in the C60(2-) dianions and falls into the 760-1390 cm(-1) range.
Czech Academy of Sciences Publication Activity Database
Kovaleva, Natalia; Kusmartseva, O.E.; Kugel, K.I.; Maksimov, A.A.; Nuzhnyy, Dmitry; Balbashov, A.M.; Demikhov, E.I.; Dejneka, Alexandr; Trepakov, Vladimír; Kusmartsev, F.V.; Stoneham, A.M.
2013-01-01
Roč. 25, č. 15 (2013), s. 1-8 ISSN 0953-8984 R&D Projects: GA TA ČR TA01010517 Institutional research plan: CEZ:AV0Z10100522 Keywords : quantum lattice effects * LaMnO 3 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.223, year: 2013
Influence of the ionic size on the evolution of local Jahn-Teller distortions in cobaltites
International Nuclear Information System (INIS)
Phelan, D.; Louca, Despina; Kamazawa, K.; Hundley, M. F.; Yamada, K.
2007-01-01
The thermodynamic and atomic structure properties of La 1-x A x CoO 3 (A=Ba 2+ and Ca 2+ ) with 0≤x≤0.5, a class of compounds that exhibit magnetoresistance in the presence of an applied magnetic field, have been investigated via magnetic and transport measurements and neutron scattering. While in the parent compound, the Co 3+ ion undergoes a spin-state transition from the low-spin ground state to a dynamic intermediate-spin configuration thermally, with hole doping, the intermediate-spin state becomes static as evidenced by the Jahn-Teller octahedral splitting of the Co-O bonds. The size of the split depends strongly on the tolerance factor, where small or no Jahn-Teller distortions are observed in samples with small tolerance factors (i.e., Ca), but as the tolerance factor approaches 1 (i.e., Ba), the bond split can be as much as 0.2 A. At the same time, ferromagnetic ordering is also influenced by the tolerance factor. As it gets closer to 1, ferromagnetic coupling is enhanced due to the straightening of the Co-O-Co bonds, where the angle becomes almost 180 deg. that, in turn, favors double-exchange interactions between Co ions. With the ferromagnetic transition, the system becomes metallic and shows a negative magnetoresistance with field. As the tolerance factor is reduced from 1, the ferromagnetic coupling is weak and the bond angle is about 160 deg
On the relation between Jahn-Teller ordering and charge ordering
International Nuclear Information System (INIS)
Eijndhoven, J.C.M van.
1978-01-01
This thesis compares the structures of KCusup(II)F 3 and Cs 2 Ausup(I)Ausup(III)Cl 6 . Both compounds have a structure that can be thought to result from a deformation of the cubic perovskite structure. The deformation of KCusup(II)F 3 is a result of a cooperative Jahn-Teller effect and the deformation of Cs 2 Ausup(I)Ausup(III)Cl 6 results in two sublattices. The structures of both compounds result from a continuous phase transition from the cubic pervskite structure due to a deformation of symmetry. Using local coordinates and a calculation of the electron-lattice interaction in a static approximation, four structure types were derived. One is the structure of Cs 2 AuAuCl 6 at ambient temperature and pressure and the second contains a group of structures corresponding to the structures found for KCuF 3 . The third structure type was recently suggested for Cs 2 AuAuCl 6 under pressure and the fourth has not been found experimentally. Two types show a Jahn-Teller ordering and the other two charge ordering (Auth./C.F.)
International Nuclear Information System (INIS)
Natadze, A.L.; Ryskin, A.I.
1980-01-01
The Jahn-Teller (JT) interaction energy is calculated for 5 T 2 and 5 E states of the Cr 2+ ion in ZnS, ZnSe, and ZnTe crystals. The calculations are made within the framework of a particular microscopic model of the crystal field in the distorted crystal (model of point-like exchange charges), the multimode interaction is taken into account. For the 5 T 2 term the energies of interaction with tetragonal and trigonal modes are of the same order of magnitude. This circumstance results in a small height of the barriers that separate various minima of the adiabatic potential and is responsible for the dynamic aspect of the static JT effect in these systems. (author)
Jahn-Teller calculations for CuO4 and FeO4 clusters in the Nd1.85Ce0.15Cu0.99Fe0.01O4-δ
International Nuclear Information System (INIS)
Calles, A.; Salcido, A.; Cabrera, A.; Gomez, R.; Aburto, S.; Marquina, V.; Marquina, M.L.; Jimenez, M.; Yepez, E.; Castro, J.J.; Escudero, R.
1991-01-01
The Jahn-Teller distortion mechanism in the Nd 2-x Ce x CuO 4 is analyzed. This analysis is based on a quasi-molecular model for the CuO 4 cluster having D 4h symmetry. In order to compare with experimental Moessbauer measurements in the doped Nd 1.85 Ce 0.15 Cu 0.99 Fe 0.01 O 4-δ superconductor, the FeO 4 cluster is also analyzed for the case of Fe 2+ in the high spin state. The results show not evidence of a Jahn-Teller effect in these superconductors. (orig.)
Spontaneous Orbital-Selective Mott Transitions and the Jahn-Teller Metal of A3C60
Hoshino, Shintaro; Werner, Philipp
2017-04-01
The alkali-doped fullerides A3C60 are half-filled three-orbital Hubbard systems which exhibit an unconventional superconducting phase next to a Mott insulator. While the pairing is understood to arise from an effectively negative Hund coupling, the highly unusual Jahn-Teller metal near the Mott transition, featuring both localized and itinerant electrons, has not been understood. This property is consistently explained by a previously unrecognized phenomenon: the spontaneous transition of multiorbital systems with negative Hund coupling into an orbital-selective Mott state. This symmetry-broken state, which has no ordinary orbital moment, is characterized by an orbital-dependent two-body operator (the double occupancy) or an orbital-dependent kinetic energy and may be regarded as a diagonal-order version of odd-frequency superconductivity. We propose that the recently discovered Jahn-Teller metal phase of Rbx Cs3 -xC60 is an experimental realization of this novel state of matter.
Molecular Jahn-Teller resonance states as possible antecedents to magnetism in the Fe group
International Nuclear Information System (INIS)
Abell, G.C.
1980-01-01
This article gives a microscopic description of magnetism in the Fe group, based on tetratomic spin-polarized Jahn-Teller resonance states. Ferromagnetism is due to Hund's-rule intra-atomic exchange coupling between molecular magnetic states having a common atom. Magnetic anisotropy is determined by the molecular symmetry axis of the resonance state
The T1u x 8 hg Jahn-Teller system - an improved model for the C60-molecule
International Nuclear Information System (INIS)
Rough, S.M.; Dunn, J.L.; Bates, C.A.
1997-01-01
The ground state of C 60 - gives rise to a T 1u x 8 h g Jahn-Teller (JT) system. A proof is presented showing that the presence of eight active h g modes rather than one makes little difference to the mathematical complexity of this problem compared to the simpler single-mode variant. After showing that the T 1u x 8 h g Jahn-Teller system has the same electronic eigenstates as the T 1u x h g Jahn-Teller system, the inversion splitting and first-order reduction factors are derived. (orig.)
Wave-Vector Dependence of the Jahn-Teller Interactions in TmVO4
DEFF Research Database (Denmark)
Kjems, Jørgen; Hayes, W.; Smith, S. H.
1975-01-01
The resonant Jahn-Teller coupling of the B2g acoustic phonon and the Zeeman-split ground doublet in TmVO4 has been studied by inelastic neutron scattering. Tuning of the magnetic field provides a means for investigating the wave-vector dependence of the interactions. We find that the coupling...... is constant in the region where the phonon dispersion is linear, up to 0.4 of the distance to the zone boundary. This agrees with the predictions of a Debye model....
International Nuclear Information System (INIS)
Reinen, D.
1993-09-01
The following subjects were mainly investigated: 1. Development of a concept concerning the mechanism of superconductivity in ceramic oxides from the standpoint of solid state chemistry. An important criterion for generating superconductivity in ceramic oxides seems to be the overlap of a narrow, weakly antibonding and metal-centred band with a very broad band of predominant oxygen character in the Fermi region. Spectroscopic investigations are in favour of such a concept and additionally indicate a vibronic coupling mechanism of the Jahn-Teller- or pseudo-Jahn-Teller type. 2. Synthesis of potentially superconducting ceramic oxides. A series of oxidic compounds with transition metal ions (Ni 2+ /Ni 3+ /Ni 4+ , Mn 3+ /Mn 4+ , Cu 2+ /Cu 3+ etc.) and with cations, possessing a lone electron pair (Sb 3+ , Bi 3+ , Pb 2+ , Tl + ) was prepared (K 2 NiF 4 -structure). The investigation of these ceramic materials led to interesting insight into the nature of the M-O-bond and the cooperative interactions between the metal ion centres; new superconductors could not be synthesized, however. (orig.) [de
Jahn-Teller distortions, cation ordering and octahedral tilting in perovskites
International Nuclear Information System (INIS)
Lufaso, M.W.; Woodward, P.M.
2004-01-01
In transition metal oxides, preferential occupation of specific d orbitals on the transition metal ion can lead to the development of a long-range ordered pattern of occupied orbitals. This phenomenon, referred to as orbital ordering, is usually observed indirectly from the cooperative Jahn-Teller distortions (CJTDs) that result as a consequence of the orbital ordering. This paper examines the interplay between orbital ordering, octahedral tilting and cation ordering in perovskites. Both ternary AMX 3 perovskites containing an active Jahn-Teller (J-T) ion on the octahedral site and quaternary A 2 MM'X 6 perovskites containing a J-T ion on one-half of the octahedral sites have been examined. In AMX 3 perovskites, the tendency is for the occupied 3d 3x 2 -r 2 and 3d 3z 2 -r 2 orbitals to order in the ac plane, as exemplified by the crystal structures of LaMnO 3 and KCuF 3 . This arrangement maintains a favorable coordination environment for the anion sites. In AMX 3 perovskites, octahedral tilting tends to enhance the magnitude of the J-T distortions. In A 2 MM'X 6 perovskites, the tendency is for the occupied 3d 3z 2 -r 2 orbitals to align parallel to the c axis. This pattern maintains a favorable coordination environment about the symmetric M'-cation site. The orbital ordering found in rock-salt ordered A 2 MM'X 6 perovskites is compatible with octahedral rotations about the c axis (Glazer tilt system a 0 a 0 c - ) but appears to be incompatible with GdFeO 3 -type octahedral tilting (tilt system - b + a - ). (orig.)
Reinen, Dirk
2012-04-16
Cations in 6-coordination with orbitally degenerate E(g) ground states, such as Cu(2+) and low-spin Co(2+), play an important role in coordination chemistry-in particular, in modern complex biochemistry. The stereochemistry and the binding properties within the basic polyhedra are the subject of pronounced modifications due to vibronic coupling in such cases, but may be also significantly influenced by what is usually called an imposed strain. The latter effect makes allowance for the general observation that the host sites into which the Jahn-Teller unstable centers are substituted are seldom of O(h) symmetry and built from six equal ligands. Hence, the finally observed molecular and binding structure of the pseudo-octahedral complex is the result of the combined action of vibronic coupling and strain. The closer analysis of host-site strain effects demands to distinguish between elastic strain components, which modify the force constant of the vibronically active (here, ε(g)) vibration, and binding strain perturbations, which take account of possibly present ligands with different binding properties. A symmetry-met semiempirical strain model on such a basis is presented and a corresponding formulation within the vibronic coupling formalism is given, on the molecular level. Well-established model examples of Cu(2+) in octahedral fluoride coordination in various host solids, where a great variety of experimental results is available, are given. The derived parameters allow a detailed characterization of the structural and energy qualities of the Jahn-Teller centers, and might help to steer these properties in cases where synthesis strategies are needed. The proposed strain concept is more complex than that of Ham [F. S. Ham, Electron Paramagnetic Resonance; Plenum Press: New York, 1972; F. S. Ham, Phys. Rev. 1965, A138, 1727]; the advantage is that it is directly tied to the structure and energy of the Jahn-Teller complex in focus, although more data (experimental
Sanz-Ortiz, M. N.; Rodríguez, F.; Baranov, A.; Demazeau, G.
2008-07-01
The objective is to explore through optical spectroscopy and magnetic measurements the coordination and electronic structures of transition-metal ions introduced as impurities with unusual valence states in the oxide perovskite LaAlO3. The selected transition-metal ions Ni3+(3d7) and Co3+(3d6) are characterized by an electronic configuration likely leading to an orbital degenerate E state in Oh symmetry, and thus electron-lattice coupling due to the Jahn-Teller effect may induce low symmetry distortion around the impurity oxygen octahedron. We show that a sol-gel process followed by high oxygen pressure treatments yields stabilization of trivalent state in oxide perovskite. Information about the coordination, electronic structure and aggregation around the magnetic impurity was obtained from X-ray diffraction, FTIR and optical spectroscopy. Finally, evidence on the possible existence of intermediate spin state in Co3+ is under consideration.
International Nuclear Information System (INIS)
Sanz-Ortiz, M N; RodrIguez, F; Baranov, A; Demazeau, G
2008-01-01
The objective is to explore through optical spectroscopy and magnetic measurements the coordination and electronic structures of transition-metal ions introduced as impurities with unusual valence states in the oxide perovskite LaAlO 3 . The selected transition-metal ions Ni 3+ (3d 7 ) and Co 3+ (3d 6 ) are characterized by an electronic configuration likely leading to an orbital degenerate E state in Oh symmetry, and thus electron-lattice coupling due to the Jahn-Teller effect may induce low symmetry distortion around the impurity oxygen octahedron. We show that a sol-gel process followed by high oxygen pressure treatments yields stabilization of trivalent state in oxide perovskite. Information about the coordination, electronic structure and aggregation around the magnetic impurity was obtained from X-ray diffraction, FTIR and optical spectroscopy. Finally, evidence on the possible existence of intermediate spin state in Co 3+ is under consideration
Kozuch, Sebastian
2015-07-14
The π bond shifting (automerization) by carbon tunneling of cyclopropenyl anions was computationally analyzed by the small curvature tunneling methodology. Similar to other antiaromatic cases, the process is hindered by substituents departing from planarity, since these groups must be realigned along with the π bond shifting. With hydrogens as substituents the tunneling is extremely fast, in a case of both heavy and light atom tunneling. But, with more massive substituents (such as Me and F), and especially with longer groups (such as CN), the tunneling probability is reduced or even virtually canceled. The automerization of triphenylcyclopropyl anion by tunneling was supposed to be impossible due to the high mass of the phenyl groups. However, it was found that the ground state of this species is actually a D3h aromatic triplet, a single-well system that cannot undergo automerization. For this and other systems with π acceptor groups, the superposition of states that generates the second-order Jahn-Teller distortion is diminished, and by Hund's rule, the triplet results in the ground state.
Energy Technology Data Exchange (ETDEWEB)
Ilkhani, Ali R. [Institute for Theoretical Chemistry, University of Texas at Austin, Austin, TX 78712 (United States); Department of Chemistry, Yazd Branch, Islamic Azad University, Yazd (Iran, Islamic Republic of); Hermoso, Willian [Institute for Theoretical Chemistry, University of Texas at Austin, Austin, TX 78712 (United States); Bersuker, Isaac B., E-mail: bersuker@cm.utexas.edu [Institute for Theoretical Chemistry, University of Texas at Austin, Austin, TX 78712 (United States); Institute of Chemistry, Academy of Sciences of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of)
2015-10-16
Highlights: • We report detailed electronic structure and vibronic coupling calculations of molecular hexa-heterocycles. • Revealed the pseudo Jahn-Teller mechanism of their planar instability. • The results are important for rationalizing the origin and possible manipulation of their properties. - Abstract: The driving force of symmetry breaking in planar molecular-ring systems in nondegenerate states is the pseudo Jahn-Teller effect (PJTE), and the knowledge of the mechanism of the latter allows one to manipulate the molecular properties, in particular, by restoring the planar configuration. We explore the PJTE induced structural nonplanarity in a series of 12 hexa-heterocycles with a C{sub 4}X{sub 2} skeleton, 1,2- and 1,4-dichalcogenins with X = O, S, Se, Te, and a variety of ligands (H, F, Cl, Br). All the structures are optimized in both distorted equilibrium and unstable planar configurations, and the vibrational frequencies of the latter are evaluated. Then the energy profiles of the ground and several excited states in the planar configuration along the coordinate of instability are calculated, the excited states producing the instability of the ground state via the PJTE are revealed, and the vibronic coupling constants are estimated by means of fitting the solutions of the secular equations to the corresponding energy profiles.
International Nuclear Information System (INIS)
Lee, S Thomas; Raveendranath, K; Tomy, Rajive M; George, Nibu A; Jayalekshmi, S; Ravi, Jyotsna
2007-01-01
Photoacoustic (PA) spectra of Li 0.9 Mn 2 O 4 , LiMn 2 O 4 and Li 1.1 Mn 2 O 4 at two temperatures, 298 K and 280 K which are, respectively, above and below the Jahn-Teller phase transition temperature, 290 K, are determined. The spectra of LiMn 2 O 4 and Li 1.1 Mn 2 O 4 below the transition temperature are found to be significantly different from their respective spectra above the transition temperature. However, the PA spectra of Li 0.9 Mn 2 O 4 at both these temperatures show only a minor difference between each other compared with the changes occurring in LiMn 2 O 4 and Li 1.1 Mn 2 O 4 . These effects are explained on the basis of the predominant JT tetragonal distortion in cubic Li x Mn 2 O 4 with a high Li content, which brings forth a modification in their electronic structure
International Nuclear Information System (INIS)
Templeton, J.L.; Jacobson, R.A.; McCarley, R.E.
1977-01-01
Oxidative bromination of [(C 3 H 7 ) 4 N] + W(CO) 5 Br - with 1,2-dibromoethane in refluxing chlorobenzene afforded the new compound [(C 3 H 7 ) 4 N] 2 W 2 Br 9 in high yield. Material obtained after recrystallization from acetonitrile showed simple Curie-law magnetic susceptibilities over the range 77 to 300 0 K with a magnetic moment of 1.72 μ/sub B/. The crystals were found to be monoclinic with lattice constants a = 36.42 (2) A, b = 12.067 (8) A, c = 19.62 (1) A, and β = 95.90 (2) 0 ; space group C2/c, d(calcd) = 2.26 g cm -3 , d(obsd) = 2.31 g cm -3 with eight molecules per unit cell. Using 2255 reflections with I greater than or equal to 3 sigma 1 the structure was refined to R = 0.050 and R/sub w/ = 0.063. The W 2 Br 9 2 - anion was found to have a confacial bioctahedral structure with d(W--W) = 2.601 (2) A consistent with the expected W--W bond order of 2.5. An interesting distortion of the anion from D/sub 3h/ symmetry was manifested as an effective 3 0 rotation of each of the planes formed by the three terminal bromine atoms on each tungsten toward the same bridging bromine atom. In this manner the real symmetry of the anion is lowered to C/sub 2 upsilon/. Consideration of packing effects, intramolecular nonbonded interactions, and metal-metal bonding led to the conclusion that the distortion arises from electronic effects, viz., separation of the e' metal-metal π orbitals as dictated by the Jahn-Teller theorem
DEFF Research Database (Denmark)
Aramburu, J. A.; Garcia-Fernandez, P.; García Lastra, Juan Maria
2017-01-01
The applicability of the Jahn-Teller (JT) framework to 6-fold coordinated d9 ions whose local symmetry is not strictly octahedral is explored by means of first principle calculations. Our results contradict much of the existing literature where these systems are analyzed within the quasi-JT regime...... state with the hole in the a1g(∼ 3z2-r2) level while it is always placed in the b1g(∼ x2-y2) level for MX6 complexes (M = Cu2+, Ag2+, NiΤ; X = F--, Cl-) in cubic lattices displaying a static JT effect. While the experimental results of CuF64- in Ba2ZnF6 cannot be understood within the JT framework...... it is pointed out that a quasi-JT situation can however happen for a d9 ion in a cubic lattice under a strain of ∼10-3 in agreement with experimental data. The present results stress the key role played by the internal electric fields for a quantitative understanding of compounds with transition metal cations...
Dynamics study of a three-fold pseudo-Jahn-Teller system using the ...
Indian Academy of Sciences (India)
Author Affiliations. Biplab Sarkar1 2 A J C Varandas1. Departmento de Química, Universidade de Coimbra, 3004 535 Coimbra, Portugal; On study leave from the Department of Chemistry, North-Eastern Hill University, Shillong 793 022, India ...
Directory of Open Access Journals (Sweden)
Alloul H.
2012-03-01
Full Text Available The discovery in 1991 of high temperature superconductivity (SC in A3C60 compounds, where A is an alkali ion, has been rapidly ascribed to a BCS mechanism, in which the pairing is mediated by on ball optical phonon modes. While this has lead to consider that electronic correlations were not important in these compounds, further studies of various AnC60 with n=1, 2, 4 allowed to evidence that their electronic properties cannot be explained by a simple progressive band filling of the C60 six-fold degenerate t1u molecular level. This could only be ascribed to the simultaneous influence of electron correlations and Jahn-Teller Distortions (JTD of the C60 ball, which energetically favour evenly charged C60 molecules. This is underlined by the recent discovery of two expanded fulleride Cs3C60 isomeric phases which are Mott insulators at ambient pressure. Both phases undergo a pressure induced first order Mott transition to SC with a (p, T phase diagram displaying a dome shaped SC, a common situation encountered nowadays in correlated electron systems. NMR experiments allowed us to study the magnetic properties of the Mott phases and to evidence clear deviations from BCS expectations near the Mott transition. So, although SC involves an electron-phonon mechanism, the incidence of electron correlations has an importance on the electronic properties, as had been anticipated from DMFT calculations.
Signatures of mesoscopic Jahn-Teller polaron inhomogeneities in high-temperature superconductors
Bishop, A R; Leon, J M D
2003-01-01
We analyse complementary experimental results in high-temperature superconducting cuprates from x-ray absorption fine structure (XAFS), inelastic neutron scattering (INS) and inelastic x-ray scattering (IXS), Raman spectroscopy (RS), infrared absorption spectroscopy and femtosecond optical spectroscopy in terms of the predictions of a specific fully quantum mechanical calculation of small polaron formation and internal dynamics (phonon-assisted local charge oscillations). These analyses support the scenario in which the pseudogap-associated temperature, T*, marks the onset of an inhomogeneous ground state with polarons, in agreement with several theoretical models which attempt to explain the origin of high-temperature superconductivity in doped cuprates. The change in dynamics, which is observed across the superconducting transition temperature, T sub c in XAFS, INS and RS, indicates an intimate link of the dynamics of these polarons with the mechanism of high-temperature superconductivity. (letter to the ed...
DEFF Research Database (Denmark)
Berg, Nelly; Hooper, Thomas N.; Liu, Junjie
2013-01-01
The heterobimetallic complex [Cu(II)Mn(III)(L)(2)(py)(4)](ClO(4))·EtOH (1) built using the pro-ligand 2,2'-biphenol (LH(2)), contains a rare example of a Jahn-Teller compressed Mn(III) centre. Dc magnetic susceptibility measurements on 1 reveal a strong antiferromagnetic exchange between the Cu...... anisotropy also correlates well with experiment. A larger cluster anisotropy for the S = 3/2 state compared to the single-ion anisotropy of Mn(III) is rationalised on the basis of orbital mixing and various contributions that arise due to the spin-orbit interaction....
Waplak, S
2002-01-01
The EPR (electron paramagnetic resonance) spectra of non-Jahn-Teller (JT) Mn sup 2 sup + and JT Cu sup 2 sup + ions have been studied for alpha- or beta-LAS structure modification in the temperature range of 4.2-480 K. The experimental evidence for JT glass with frozen-in random strain fields due to the presence of the JT Cu sup 2 sup + ions is presented.
Energy Technology Data Exchange (ETDEWEB)
Taniguchi, Haruka, E-mail: tanig@iwate-u.ac.jp [Department of Physical Science and Materials Engineering, Iwate University, Morioka 020-8551 (Japan); Kimura, Daichi; Matsukawa, Michiaki; Inomata, Tasuku; Kobayashi, Satoru [Department of Physical Science and Materials Engineering, Iwate University, Morioka 020-8551 (Japan); Nimori, Shigeki [National Institute for Materials Science, Tsukuba 305-0047 (Japan); Suryanarayanan, Ramanathaan [Laboratoire de Physico-Chimie de l’Etat Solide, CNRS, UMR8182, Université Paris-Sud, 91405 Orsay (France)
2017-06-15
We investigated slow relaxations of the magnetostriction and residual magnetostriction of the phase-separated system (Eu{sub 1−x}Gd{sub x}){sub 0.6}Sr{sub 0.4}MnO{sub 3}, in which the metamagnetic transition from a paramagnetic insulating state to a ferromagnetic metallic state is accompanied by a lattice shrinkage. The relaxations are well fitted by a stretched exponential function, suggesting the strong frustration between the double exchange interaction and Jahn-Teller effect. We have revealed that the Gd substitution suppresses the frozen phase-separated phase at low temperatures and stabilizes the paramagnetic insulating state in the dynamic phase-separated phase at intermediate temperatures. The former origin would be the randomness effect and the latter would be the suppression of the double exchange interaction.
Li, Yuelin; Walko, Donald A.; Li, Qing'an; Liu, Yaohua; Rosenkranz, Stephan; Zheng, Hong; Mitchell, J. F.
2015-12-01
We show evidence that the competition between the antiferromagetic metallic phase and the charge- and orbital-ordered insulating phase at the reentrant phase boundary of a layered manganite, La0.99Sr2.01Mn2O7, can be manipulated using ultrafast optical excitation. The time-dependent evolution of the Jahn-Teller superlattice reflection, which indicates the formation of the charge and orbital order, was measured at different laser fluences. The laser-induced enhancement and reduction the Jahn-Teller reflection intensity shows a reversal of sign between earlier (~10 ns) and later (~150 ns) time delays during the relaxation after photo excitation. This effect is consistent with a scenario whereby the laser excitation modulates the local competition between the metallic and the insulating phases.
Lattice dynamics of A Sb2O6 (A =Cu , Co) with trirutile structure
Maimone, D. T.; Christian, A. B.; Neumeier, J. J.; Granado, E.
2018-03-01
Raman spectroscopy experiments on single crystals of CuSb2O6 and CoSb2O6 quasi-one-dimensional antiferromagnets with trirutile crystal structure were performed, with a focus on the first material. The observed Raman-active phonon modes and previously reported infrared-active modes were identified with the aid of ab initio lattice dynamics calculations. The structural transition between monoclinic β -CuSb2O6 and tetragonal α -CuSb2O6 phases at Ts=400 K is manifested in our spectra by a "repulsion" of two accidentally quasidegenerate symmetric modes below Ts, caused by a phonon mixing effect that is only operative in the monoclinic β -CuSb2O6 phase due to symmetry restrictions. Also, two specific phonons, associated with CuO6 octahedra rotation and with a Jahn-Teller elongation mode, soften and broaden appreciably as T →Ts . A crossover from a displacive to an order-disorder transition at Ts is inferred.
Quantum-classical dynamics of scattering processes in adiabatic and diabatic representations
International Nuclear Information System (INIS)
Puzari, Panchanan; Sarkar, Biplab; Adhikari, Satrajit
2004-01-01
We demonstrate the workability of a TDDVR based [J. Chem. Phys. 118, 5302 (2003)], novel quantum-classical approach, for simulating scattering processes on a quasi-Jahn-Teller model [J. Chem. Phys. 105, 9141 (1996)] surface. The formulation introduces a set of DVR grid points defined by the Hermite part of the basis set in each dimension and allows the movement of grid points around the central trajectory. With enough trajectories (grid points), the method converges to the exact quantum formulation whereas with only one grid point, we recover the conventional molecular dynamics approach. The time-dependent Schroedinger equation and classical equations of motion are solved self-consistently and electronic transitions are allowed anywhere in the configuration space among any number of coupled states. Quantum-classical calculations are performed on diabatic surfaces (two and three) to reveal the effects of symmetry on inelastic and reactive state-to-state transition probabilities, along with calculations on an adiabatic surface with ordinary Born-Oppenheimer approximation. Excellent agreement between TDDVR and DVR results is obtained in both the representations
Lattice strain accompanying the colossal magnetoresistance effect in EuB6.
Manna, Rudra Sekhar; Das, Pintu; de Souza, Mariano; Schnelle, Frank; Lang, Michael; Müller, Jens; von Molnár, Stephan; Fisk, Zachary
2014-08-08
The coupling of magnetic and electronic degrees of freedom to the crystal lattice in the ferromagnetic semimetal EuB(6), which exhibits a complex ferromagnetic order and a colossal magnetoresistance effect, is studied by high-resolution thermal expansion and magnetostriction experiments. EuB(6) may be viewed as a model system, where pure magnetism-tuned transport and the response of the crystal lattice can be studied in a comparatively simple environment, i.e., not influenced by strong crystal-electric field effects and Jahn-Teller distortions. We find a very large lattice response, quantified by (i) the magnetic Grüneisen parameter, (ii) the spontaneous strain when entering the ferromagnetic region, and (iii) the magnetostriction in the paramagnetic temperature regime. Our analysis reveals that a significant part of the lattice effects originates in the magnetically driven delocalization of charge carriers, consistent with the scenario of percolating magnetic polarons. A strong effect of the formation and dynamics of local magnetic clusters on the lattice parameters is suggested to be a general feature of colossal magnetoresistance materials.
Kong, Fantai; Liang, Chaoping; Longo, Roberto C.; Zheng, Yongping; Cho, Kyeongjae
2018-02-01
As the next-generation high energy capacity cathode materials for Li-ion batteries, Ni-rich oxides face the problem of obtaining near-stoichiometric phases due to excessive Ni occupying Li sites. These extra-Ni-defects drastically affect the electrochemical performance. Despite of its importance, the fundamental correlation between such defects and the key electrochemical properties is still poorly understood. In this work, using density-functional-theory, we report a comprehensive study on the effects of non-stoichiometric phases on properties of Ni-rich layered oxides. For instance, extra-Ni-defects trigger charge disproportionation reaction within the system, alleviating the Jahn-Teller distortion of Ni3+ ions, which constitutes an important reason for their low formation energies. Kinetic studies of these defects reveal their immobile nature, creating a "pillar effect" that increases the structural stability. Ab initio molecular dynamics revealed Li depletion regions surrounding extra-Ni-defects, which are ultimate responsible for the arduous Li diffusion and re-intercalation, resulting in poor rate performance and initial capacity loss. Finally, the method with combination of high valence cation doping and ion-exchange synthesis is regarded as the most promising way to obtain stoichiometric oxides. Overall, this work not only deepens our understanding of non-stoichiometric Ni-rich layered oxides, but also enables further optimizations of high energy density cathode materials.
Theoretical evaluation of matrix effects on trapped atomic levels
International Nuclear Information System (INIS)
Das, G.P.; Gruen, D.M.
1986-06-01
We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs
International Nuclear Information System (INIS)
Labbe, J.; Friedel, J.
Equations assuming a Jahn-Teller-type effect for the d-band electrons in V 3 Si compounds are given, and the results of free-energy change calculations by using some approximations based on these equations are depicted. The tetragonal structure is converted to cubic as the temperature rises past T /sub m/ which is calculated as 13 K by the Batterman-Barrett method and is measured to be 20-5 K. Other parameters such as change of C /sub p/ with temperature are predicted better
Davis, Barry M.; Gervais, Benoit; McCaffrey, John G.
2018-03-01
A detailed characterisation of the luminescence recorded for the 6p 1P1-6s 1S0 transition of atomic barium isolated in annealed solid xenon has been undertaken using two-dimensional excitation-emission (2D-EE) spectroscopy. In the excitation spectra extracted from the 2D-EE scans, two dominant thermally stable sites were identified, consisting of a classic, three-fold split Jahn-Teller band, labeled the blue site, and an unusual asymmetric 2 + 1 split band, the violet site. A much weaker band has also been identified, whose emission is strongly overlapped by the violet site. The temperature dependence of the luminescence for these sites was monitored revealing that the blue site has a non-radiative channel competing effectively with the fluorescence even at 9.8 K. By contrast, the fluorescence decay time of the violet site was recorded to be 4.3 ns and independent of temperature up to 24 K. The nature of the dominant thermally stable trapping sites was investigated theoretically with Diatomics-in-Molecule (DIM) molecular dynamics simulations. The DIM model was parameterized with ab initio multi-reference configuration interaction calculations for the lowest energy excited states of the BaṡXe pair. The simulated absorption spectra are compared with the experimental results obtained from site-resolved excitation spectroscopy. The simulations allow us to assign the experimental blue feature spectrum to a tetra-vacancy trapping site in the bulk xenon fcc crystal—a site often observed when trapping other metal atoms in rare gas matrices. By contrast, the violet site is assigned to a specific 5-atom vacancy trapping site located at a grain boundary.
Lawson, Bridget; Neubauer, Samuel; Chaudhry, Adeel; Hart, Cacie; Ferrone, Natalie; Houston, David; Yong, Grace; Kolagani, Rajeswari
Magnetoresistance properties of the epitaxial thin films of doped rare earth manganites are known to be influenced by the effect of bi-axial strain induced by lattice mismatch with the substrate. In hole-doped manganites, the effect of both compressive and tensile strain is qualitatively consistent with the expected changes in unit cell symmetry from cubic to tetragonal, leading to Jahn-Teller strain fields that affect the energy levels of Mn3 + energy levels. Recent work in our laboratory on CaMnO3 thin films has pointed out that tetragonal distortions introduced by tensile lattice mismatch strain may also have the effect of modulating the oxygen content of the films in agreement with theoretical models that propose such coupling between strain and oxygen content. Our research focuses on comparing the magneto-transport properties of hole-doped manganite LaCaMnO3 thin films with that of its electron doped counter parts, in an effort to delineate the effects of oxygen stoichiometry changes on magneto-transport from the effects of Jahn-Teller type strain. Towson University Office of Undergraduate Research, Fisher Endowment Grant and Undergraduate Research Grant from the Fisher College of Science and Mathematics, Seed Funding Grant from the School of Emerging technologies and the NSF Grant ECCS 112856.
Effects of strong electron correlations in Ti8C12 Met-Car
International Nuclear Information System (INIS)
Varganov, Sergey A.; Gordon, Mark S.
2006-01-01
The results of multireference configuration interaction (MRCI) with single and double excitations and single reference coupled cluster (CCSD(T)) calculations on Ti 8 C 12 metallocarbohedryne (Met-Car) are reported. The distortions of the T d structure to D 2d and C 3v structures due to the Jahn-Teller effect are studied. It is shown that the Ti 8 C 12 wave function has significant multireference character. The choice of the active space for multireference self-consistent field (MCSCF) calculations is discussed. The failure of multireference perturbation theory with a small active space is attributed to multiple intruder states. A new, novel type of MCSCF calculation, ORMAS (occupation restricted multiple active spaces) with a large active space are carried out for several electronic states of Ti 8 C 12 . The Jahn-Teller distorted D 2d 1 A 1 (nearly T d ) structure is predicted to be the Ti 8 C 12 ground state. Predictions of the Ti 8 C 12 ionization potential with different ab initio methods are presented
Spin-Orbit Coupling Drives Femtosecond Nonadiabatic Dynamics in a Transition Metal Compound.
Carbery, William P; Verma, Archana; Turner, Daniel B
2017-03-16
Transient absorption measurements conducted using broadband, 6 fs laser pulses reveal unexpected femtosecond dynamics in the [IrBr 6 ] 2- model system. Vibrational spectra and the X-ray crystal structure indicate that these dynamics are not induced by a Jahn-Teller distortion, a type of conical intersection typically associated with the spectral features of transition metal compounds. Two-dimensional electronic spectra of [IrBr 6 ] 2- contain 23 cross peaks, which necessarily arise from spin-orbit coupling. Real-valued 2D spectra support a spectroscopic basis where strong nonadiabatic coupling, ascribed to multiple conical intersections, mediates rapid energy relaxation to the lowest-energy excited state. Subsequent analysis gives rise to a more generalized description of a conical intersection as a degeneracy between two adiabatic states having the same total angular momentum.
Reschke, S.; Wang, Zhe; Mayr, F.; Ruff, E.; Lunkenheimer, P.; Tsurkan, V.; Loidl, A.
2017-10-01
We report on THz time-domain spectroscopy on multiferroic GeV4S8 , which undergoes orbital ordering at a Jahn-Teller transition at 30.5 K and exhibits antiferromagnetic order below 14.6 K. The THz experiments are complemented by dielectric experiments at audio and radio frequencies. We identify a low-lying excitation close to 0.5 THz, which is only weakly temperature dependent and probably corresponds to a molecular excitation within the electronic level scheme of the V4 clusters. In addition, we detect complex temperature-dependent behavior of a low-lying phononic excitation, closely linked to the onset of orbitally driven ferroelectricity. In the high-temperature cubic phase, which is paramagnetic and orbitally disordered, this excitation is of relaxational character becomes an overdamped Lorentzian mode in the orbitally ordered phase below the Jahn-Teller transition, and finally appears as well-defined phonon excitation in the antiferromagnetic state. Abrupt changes in the real and imaginary parts of the complex dielectric permittivity show that orbital ordering appears via a structural phase transition with strong first-order character and that the onset of antiferromagnetic order is accompanied by significant structural changes, which are of first-order character, too. Dielectric spectroscopy documents that at low frequencies, significant dipolar relaxations are present in the orbitally ordered, paramagnetic phase only. In contrast to the closely related GaV4S8 , this relaxation dynamics that most likely mirrors coupled orbital and polar fluctuations does not seem to be related to the dynamic processes detected in the THz regime.
International Nuclear Information System (INIS)
Ye Qing; Zhou Jing; Zhao Haifeng; Chen Xing; Chu Wangsheng; Zheng Xusheng; Marcelli, Augusto; Wu Ziyu
2013-01-01
The hydrated shell of both Fe 2+ and Fe 3+ aqueous solutions are investigated by using the molecular dynamics (MD) and X-ray absorption structure (XAS) methods. The MD simulations show that the first hydrated shells of both Fe 2+ and Fe 3+ are characterized by a regular octahedron with an Fe-O distance of 2.08Å for Fe 2+ and 1.96Å for Fe 3+ , and rule out the occurrence of a Jahn-Teller distortion in the hydrated shell of an Fe 2+ aqueous solution. The corresponding X-ray absorption near edge fine structure (XANES) calculation successfully reproduces all features in the XANES spectra in Fe 2+ and Fe 3+ aqueous solution. A feature that is located at energy 1 eV higher than the white line (WL) in an Fe 3+ aqueous solution may be assigned to the contribution of the charge transfer. (authors)
Competition between Jahn-Teller coupling and orbital fluctuations in HoVO3
Blake, G. R.; Nugroho, A. A.; Gutmann, M. J.; Palstra, T. T. M.
We have carried out a detailed study of the structural properties of HoVO3 perovskite using a combination of single-crystal neutron diffraction and synchrotron x-ray and neutron powder diffraction. We focus on the competition between one-dimensional fluctuations of the occupied vanadium d orbitals
E x circle epsilon Jahn-Teller anharmonic coupling for an octahedral system
Avram, N M; Kibler, M R
2001-01-01
The coupling between doubly degenerate electronic states and doubly degenerate vibrations is analyzed for an octahedral system on the basis of the introduction of an anharmonic Morse potential for the vibronic part. The vibrations are described by anharmonic coherent states and their linear coupling with the electronic states is considered. The matrix elements of the vibronic interaction are built and the energy levels corresponding to the interaction Hamiltonian are derived.
Theoretical evaluation of matrix effects on trapped atomic levels
Energy Technology Data Exchange (ETDEWEB)
Das, G.P.; Gruen, D.M.
1986-06-01
We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs.
Lev, L L; Krempaský, J; Staub, U; Rogalev, V A; Schmitt, T; Shi, M; Blaha, P; Mishchenko, A S; Veligzhanin, A A; Zubavichus, Y V; Tsetlin, M B; Volfová, H; Braun, J; Minár, J; Strocov, V N
2015-06-12
Electronic structure of the three-dimensional colossal magnetoresistive perovskite La(1-x)Sr(x)MnO3 has been established using soft-x-ray angle-resolved photoemission spectroscopy with its intrinsically sharp definition of three-dimensional electron momentum. The experimental results show much weaker polaronic coupling compared to the bilayer manganites and are consistent with the theoretical band structure including the empirical Hubbard parameter U. The experimental Fermi surface unveils the canonical topology of alternating three-dimensional electron spheres and hole cubes, with their shadow contours manifesting the rhombohedral lattice distortion. This picture has been confirmed by one-step photoemission calculations including displacement of the apical oxygen atoms. The rhombohedral distortion is neutral to the Jahn-Teller effect and thus polaronic coupling, but affects the double-exchange electron hopping and thus the colossal magnetoresistance effect.
International Nuclear Information System (INIS)
Moin, Syed Tarique; Hofer, Thomas S.; Weiss, Alexander K. H.; Rode, Bernd M.
2013-01-01
Ab initio quantum mechanical charge field molecular dynamics (QMCF-MD) were successfully applied to Cu(II) embedded in water to elucidate structure and to understand dynamics of ligand exchange mechanism. From the simulation studies, it was found that using an extended large quantum mechanical region including two shells of hydration is required for a better description of the dynamics of exchanging water molecules. The structural features characterized by radial distribution function, angular distribution function and other analytical parameters were consistent with experimental data. The major outcome of this study was the dynamics of exchange mechanism and reactions in the first hydration shell that could not be studied so far. The dynamical data such as mean residence time of the first shell water molecules and other relevant data from the simulations are close to the results determined experimentally. Another major characteristic of hydrated Cu(II) is the Jahn-Teller distortion which was also successfully reproduced, leading to the final conclusion that the dominating aqua complex is a 6-coordinated species. The ab initio QMCF-MD formalism proved again its capabilities of unraveling even ambiguous properties of hydrated species that are far difficult to explore by any conventional quantum mechanics/molecular mechanics (QM/MM) approach or experiment
Phonon renormalization at small q values in the high-temperature phase of CsCuCl sub 3
Foerster, U; Schotte, U; Stuhr, U
1997-01-01
The hexagonal perovskite CsCuCl sub 3 exhibits a structural phase transition from a dynamically disordered high-temperature phase to an ordered low-temperature phase due to the cooperative Jahn-Teller effect. The lattice dynamics of the high-temperature phase has been studied by inelastic neutron scattering experiments. The investigations concentrated on small wave vectors q, where for the first time renormalized phonons at q=0.02-0.05 A sup - sup 1 could be observed. The measurements confirm the predictions of a theoretical approach based on the coupling between dynamic reorientation processes and acoustic lattice waves (pseudo-spin phonon coupling). (author)
Carpenter, M. A.
2015-07-01
Resonant ultrasound spectroscopy (RUS) provides a window on the pervasive influence of strain coupling at phase transitions in perovskites through determination of elastic and anelastic relaxations across wide temperature intervals and with the application of external fields. In particular, large variations of elastic constants occur at structural, ferroelectric and electronic transitions and, because of the relatively long interaction length provided by strain fields in a crystal, Landau theory provides an effective formal framework for characterizing their form and magnitude. At the same time, the Debye equations provide a robust description of dynamic relaxational processes involving the mobility of defects which are coupled with strain. Improper ferroelastic transitions driven by octahedral tilting in KMnF3, LaAlO3, (Ca,Sr)TiO3, Sr(Ti,Zr)O3 and BaCeO3 are accompanied by elastic softening of tens of % and characteristic patterns of acoustic loss due to the mobility of twin walls. RUS data for ferroelectrics and ferroelectric relaxors, including BaTiO3, (K,Na)NbO3,Pb(Mg1/3Nb2/3)O3 (PMN), Pb(Sc1/2Ta1/2)O3 (PST), (Pb(Zn1/3Nb2/3)O3)0.955(PbTiO3)0.045 (PZN-PT) and (Pb(In1/2Nb1/2)O3)0.26(Pb(Mg1/3Nb2/3)O3)0.44(PbTiO3)0.30 (PIN-PMN-PT) show similar patterns of softening and attenuation but also have precursor softening associated with the development of polar nano regions. Defect-induced ferroelectricity occurs in KTaO3, without the development of long range ordering. By way of contrast, spin-lattice coupling is much more variable in strength, as reflected in a greater range of softening behaviour for Pr0.48Ca0.52MnO3 and Sm0.6Y0.4MnO3 as well as for the multiferroic perovskites EuTiO3,BiFeO3, Bi0.9Sm0.1FeO3, Bi0.9Nd0.1FeO3, (BiFeO3)0.64(CaFeO2.5)0.36, (Pb(Fe0.5Ti0.5)O3)0.4(Pb(Zr0.53Ti0.47)O3)0.6. A characteristic feature of transitions in which there is a significant Jahn-Teller component is softening as the transition point is approached from above, as illustrated by
Microscopic dynamical Casimir effect
Souza, Reinaldo de Melo e.; Impens, François; Neto, Paulo A. Maia
2018-03-01
We consider an atom in its ground state undergoing a nonrelativistic oscillation in free space. The interaction with the electromagnetic quantum vacuum leads to two effects to leading order in perturbation theory. When the mechanical frequency is larger than the atomic transition frequency, the dominant effect is the motion-induced transition to an excited state with the emission of a photon carrying the excess energy. We compute the angular distribution of emitted photons and the excitation rate. On the other hand, when the mechanical frequency is smaller than the transition frequency, the leading-order effect is the parametric emission of photon pairs, which constitutes the microscopic counterpart of the dynamical Casimir effect. We discuss the properties of the microscopic dynamical Casimir effect and build a connection with the photon production by an oscillating macroscopic metallic mirror.
Perić, M; Jerosimić, S; Mitić, M; Milovanović, M; Ranković, R
2015-05-07
In the present study, we prove the plausibility of a simple model for the Renner-Teller effect in tetra-atomic molecules with linear equilibrium geometry by ab initio calculations of the electronic energy surfaces and non-adiabatic matrix elements for the X(2)Πu state of C2H2 (+). This phenomenon is considered as a combination of the usual Renner-Teller effect, appearing in triatomic species, and a kind of the Jahn-Teller effect, similar to the original one arising in highly symmetric molecules. Only four parameters (plus the spin-orbit constant, if the spin effects are taken into account), which can be extracted from ab initio calculations carried out at five appropriate (planar) molecular geometries, are sufficient for building up the Hamiltonian matrix whose diagonalization results in the complete low-energy (bending) vibronic spectrum. The main result of the present study is the proof that the diabatization scheme, hidden beneath the apparent simplicity of the model, can safely be carried out, at small-amplitude bending vibrations, without cumbersome computation of non-adiabatic matrix elements at large number of molecular geometries.
Analogy Between Particle in a Box and Jahn–Teller Effect
Indian Academy of Sciences (India)
IAS Admin
as degeneracy, and the energy levels are said to be de- generate. Degeneracy occurs in general whenever a ... Such a level is said to be triply degenerate or three-fold degenerate and we can also say that the degeneracy of .... Jahn and Edward Teller, using group theory. The Jahn{. Teller theorem states that in a nonlinear ...
Yuan, Mei; Zhao, Fei; Zhang, Wen; Wang, Zhe-Ming; Gao, Song
2007-12-24
By changing ancillary tetradentate Schiff base ligands (L), two new one-dimensional azide-bridged manganese(III) coordination complexes [MnIII(L)(mu1,3-N3)]n [L = 5-Fsalen (1), 5-OCH3 (2); salen = N,N'-bis(salicylidene)-1,2-diaminoethane] as well as a mononuclear complex [MnIII(salophen)(N3)] (3) [salophen = N,N'-bis(salicylidene)-o-phenylenediamine] have been successfully obtained. All of them have been structurally and magnetically characterized. In the structures of 1-3 each MnIII ion is in a distorted octahedral geometry with an obvious Jahn-Teller effect, where the tetradentate L ligands all bind in the equatorial mode, whereas in the axial direction, the N3- ion acts as an end-to-end bridge in 1 and 2 while a terminal group in 3 with a methanol molecule at the other end. Magnetic characterization shows that the mu1,3-bridging azide ion proves to mainly transmit antiferromagnetic interaction between MnIII ions, but these three complexes exhibit various magnetic behaviors at low temperatures. Noteworthily, complex 2 behaves as a weak ferromagnet with a relatively large coercive field of 2.3 kOe, much larger than the value reported previously.
Lattice modes and the Jahn-Teller ferroelectric transition of GaV.sub.4./sub.S.sub.8./sub.
Czech Academy of Sciences Publication Activity Database
Hlinka, Jiří; Borodavka, Fedir; Rafalovskyi, Iegor; Dočekalová, Zuzana; Pokorný, Jan; Gregora, Ivan; Tsurkan, V.; Nakamura, H.; Mayr, F.; Kuntscher, C.A.; Loidl, A.; Bordács, S.; Szaller, D.; Lee, H.-J.; Lee, J.H.; Kézsmárki, I.
2016-01-01
Roč. 94, č. 6 (2016), 1-4, č. článku 060104. ISSN 2469-9950 R&D Projects: GA ČR GA13-15110S Institutional support: RVO:68378271 Keywords : augmented-wave method * crystals * phase Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.836, year: 2016
Colossal magnetoresistance manganites: A new approach
Indian Academy of Sciences (India)
Here we outline a new approach recently proposed by us, where we argue that due to strong Jahn-Teller (JT) coupling with phonons the twofold degenerate states at the Mn sites dynamically reorganize themselves into localised, JT polarons ℓ with exponentially small inter-site hopping, and band-like, nonpolaronic ...
Emotional effects of dynamic textures
Toet, A.; Henselmans, M.; Lucassen, M.P.; Gevers, T.
2011-01-01
This study explores the effects of various spatiotemporal dynamic texture characteristics on human emotions. The emotional experience of auditory (eg, music) and haptic repetitive patterns has been studied extensively. In contrast, the emotional experience of visual dynamic textures is still largely
Emotional Effects of Dynamic Textures
Directory of Open Access Journals (Sweden)
Alexander Toet
2011-12-01
Full Text Available This study explores the effects of various spatiotemporal dynamic texture characteristics on human emotions. The emotional experience of auditory (eg, music and haptic repetitive patterns has been studied extensively. In contrast, the emotional experience of visual dynamic textures is still largely unknown, despite their natural ubiquity and increasing use in digital media. Participants watched a set of dynamic textures, representing either water or various different media, and self-reported their emotional experience. Motion complexity was found to have mildly relaxing and nondominant effects. In contrast, motion change complexity was found to be arousing and dominant. The speed of dynamics had arousing, dominant, and unpleasant effects. The amplitude of dynamics was also regarded as unpleasant. The regularity of the dynamics over the textures' area was found to be uninteresting, nondominant, mildly relaxing, and mildly pleasant. The spatial scale of the dynamics had an unpleasant, arousing, and dominant effect, which was larger for textures with diverse content than for water textures. For water textures, the effects of spatial contrast were arousing, dominant, interesting, and mildly unpleasant. None of these effects were observed for textures of diverse content. The current findings are relevant for the design and synthesis of affective multimedia content and for affective scene indexing and retrieval.
Cuthbertson, Alastair F.; Glidewell, Christopher
Equilibrium geometries, skeletal bending force constants, and inversion barriers have been calculated for 15 molecules and ions of type (MH 3) 3YE1 n+ : the results are consistent with interpretations of molecular configurations based upon the second-order Jahn-Teller effect. Molecules and ions of types H 2NMH 3n+ and HN(MH 3) 2n+ are also described.
Final Progress Report--Ionization probes of molecular structure and chemistry
Energy Technology Data Exchange (ETDEWEB)
Johnson, Philip M
2009-01-30
Accomplishments during the grant period are presented. These lines of study were pursued: a benchmark study of the Jahn-Teller effect in benzene cation; the PIRI spectra of phenylacetylene and benzonitrile; a new approach to the calculation of vibronic coupling; anomalous line broadening in high resolution spectra; and long-lived species and anomalous photophysics in phenylacetylene;
First and second ionization energies of 1,3,5-trimethylbenzene and 2,4,6-trimethylpyridine
Czech Academy of Sciences Publication Activity Database
Milko, Petr; Schröder, Detlef; Lemr, K.; Žabka, Ján; Alcaraz, Ch.; Roithová, J.
2009-01-01
Roč. 74, č. 1 (2009), s. 101-114 ISSN 0010-0765 Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503 Keywords : ionization energy * isodesmic reactions * Jahn-Teller effect * mass spectrometry * synchrotron Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.856, year: 2009
Infrared absorption spectroscopic study of Nd substituted Zn–Mg ...
Indian Academy of Sciences (India)
Unknown
dependent behaviour of force constant are attributed to the cation oxygen bond distances. The structural distortion in case of chromium substituted nickel ferrites was studied by Ghatage et al (1996) and the existence of fine structure is attributed to the Jahn-Teller effect. The IR spectra of Cd, Co, Mg, Ni, Zn, Cu etc containing ...
ESR of Ag2+ ions in S2F2 crystal
International Nuclear Information System (INIS)
Zaripov, M.M.; Ulanov, V.A.; Falin, M.L.
1989-01-01
Experimental data on investigation of bivalent silver ions in S 2 F 2 crystals are presented. Due to the investigation of the grown crystals it is determined that centres of univalent silver ore formed in SrF 2 during crystal growth. X-ray irradiation at room temperature results in the transition of these centres in bivalent staes. Investigation of temperature dependence of ESR spectra type has allowed to make the conclusion about the presence of Jahn-Teller dynamic effect. Analysis of experimental data allows to develop a model of the investigated paramagnetic complex in S 2 F 2 crystal where Ag 2* ion has coordination polyhedron in the form of eight F - ion cube distorted by C 3 3 axis
Magnetic properties of A0.6Pb0.4MnO3 perovskites (A=Nd,Sm,Gd)
International Nuclear Information System (INIS)
Derkachenko, V.N.; Troyanchuk, I.O.; Pastushonok, S.N.
1991-01-01
Crystal structure and magnetic properties of A 0.6 Pb 0.4 MnO 3 perovskite is found to be a ferromagnetic material (T c =180 K). The compound unit cell is distorted rhombohedrally. The Sm perovskite is distinguished by a 0 1 -orthorhombic distortion of the unit cell and is an inhomogeneous ferromagnetic below 90 K. The 0'1-orthorhombic distortion is inherent also in the Gd perovskite unit cell. Below 40 K one can observe magnetic properties typical of spin glasses. Transition of a 'frozen' state is realized by locking gradually the magnetic moments of the ferromagnetic clusters. As the REI radius decreases, the perovskite crystal structure is distorted becouse of mismatch between ionic radii of REI and manganese. The Jahn-Teller dynamic effect becomes static, promoting a change in the mechnism of exchange interactions
Dynamical Franz-Keldysh Effect
DEFF Research Database (Denmark)
Jauho, Antti-Pekka; Johnsen, Kristinn
1996-01-01
We introduce and analyze the properties of dynamical Franz-Keldysh effect, i.e., the change of density of states, or absorption spectra, of semiconductors under the influence of time-dependent electric fields. In the case of a harmonic time dependence, we predict the occurrence of significant fine...
Dynamic effects in fragmentation reactions
International Nuclear Information System (INIS)
Bertsch, G. F.; Esbensen, H.
2002-01-01
Fragmentation reactions offer a useful tool to study the spectroscopy of halo nuclei, but the large extent of the halo wave function makes the reaction theory more difficult. The simple reaction models based on the eikonal approximation for the nuclear interaction or first-order perturbation theory for the Coulomb interaction have systematic errors that they investigate here, comparing to the predictions of complete dynamical calculations. They find that stripping probabilities are underpredicted by the eikonal model, leading to extracted spectroscopy strengths that are two large. In contrast, the Coulomb excitation is overpredicted by the simple theory. They attribute this to a screening effect, as is well known in the Barkas effect on stopping powers. The errors decrease with beam energy as E(sub beam)(sup -1), and are not significant at beam energies above 50 MeV/u. At lower beam energies, the effects should be taken into account when extracting quantitative spectroscopic strengths
Effect of large compressive strain on low field electrical transport in La0.88Sr0.12MnO3 thin films
International Nuclear Information System (INIS)
Prasad, Ravikant; Gaur, Anurag; Siwach, P K; Varma, G D; Kaur, A; Singh, H K
2007-01-01
We have investigated the effect of large in-plane compressive strain on the electrical transport in La 0.88 Sr 0.12 MnO 3 in thin films. For achieving large compressive strain, films have been deposited on single crystal LaAlO 3 (LAO, a = 3.798 A) substrate from a polycrystalline bulk target having average in-plane lattice parameter a av = (a b + b b )/2 = 3.925 A. The compressive strain was further relaxed by varying the film thickness in the range ∼6-75 nm. In the film having least thickness (∼6 nm) large increase (c = 3.929 A) in the out-of-plane lattice parameter is observed which gradually decreases towards the bulk value (c bulk = 3.87 A) for ∼75 nm thick film. This shows that the film having the least thickness is under large compressive strain, which partially relaxes with increasing film thickness. The T IM of the bulk target ∼145 K goes up to ∼235 K for the ∼6 nm thin film and even for partially strain relaxed ∼75 nm thick film T IM is as high as ∼200 K. This enhancement in T IM is explained in terms of suppression of Jahn-Teller distortion of the MnO 6 octahedra by the large in-plane compressive strain. We observe a large enhancement in the low field magnetoresistance (MR) just below T IM in the films having partial strain relaxation. Thick films of 6 and 20 nm have MR ∼14% at 3 kOe that almost doubles in 35 nm film to ∼27%. Similar enhancement is also obtained in the case of the temperature coefficient of resistivity. The near doubling of low field MR is explained in terms of delocalization of weakly localized carriers around T IM by small magnetic fields
Superconductivity and fast proton transport in nanoconfined water
Johnson, K. H.
2018-04-01
A real-space molecular-orbital density-wave description of Cooper pairing in conjunction with the dynamic Jahn-Teller mechanism for high-Tc superconductivity predicts that electron-doped water confined to the nanoscale environment of a carbon nanotube or biological macromolecule should superconduct below and exhibit fast proton transport above the transition temperature, Tc ≅ 230 K (-43 °C).
Local symmetry lowering in CdMn{sub 2}O{sub 4} spinel
Energy Technology Data Exchange (ETDEWEB)
Oliveira, G. N. P.; Lopes, A. M. L., E-mail: armandina.lima.lopes@cern.ch [CFNUL - Centro de Física Nuclear, Universidade de Lisboa, Av. Prof. Gama Pinto 2, 1649-003 Lisboa (Portugal); IFIMUP and IN-Institute of Nanoscience and Nanotechnology, Departamento de Física e Astronomia da Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre, 687, 4169-007 Porto (Portugal); Teixeira, R.; Silva, M. R. [CFNUL - Centro de Física Nuclear, Universidade de Lisboa, Av. Prof. Gama Pinto 2, 1649-003 Lisboa (Portugal); Mendonça, T. M.; Araújo, J. P., E-mail: jearaujo@fc.up.pt [IFIMUP and IN-Institute of Nanoscience and Nanotechnology, Departamento de Física e Astronomia da Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre, 687, 4169-007 Porto (Portugal); Correia, J. G. [C2TN, Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, Estrada Nacional 10, 2695-066 Bobadela LRS (Portugal)
2014-12-14
This work presents an atomic scale study of the electric field gradient (EFG) in the tetragonally distorted CdMn{sub 2}O{sub 4} spinel manganite. The EFG temperature dependence at the Cd and Mn sites was followed via perturbed angular correlation measurements with the {sup 111}In and {sup 111m}Cd probes, from 873 down to 12 K at Isolde-CERN. The results show that in the 12–600 K temperature range, a single Jahn-Teller distorted local phase exists. However above 100 K, a dynamic lattice distortion, evidenced by time dependent EFG fluctuations, sets in suggesting a structural instability. Above 600 K, a local MnO{sub 6} octahedra with relaxed Jahn-Teller distortions emerge and grow in the low temperature matrix, although no macroscopic tetragonal to cubic phase transition was observed.
High resolution photoelectron spectroscopy of clusters of Group V elements
International Nuclear Information System (INIS)
Wang, Lai-sheng; Niu, B.; Lee, Y.T.; Shirley, D.A.
1989-07-01
High resolution HeI (580 angstrom) photoelectron spectra of As 2 , As 4 , and P 4 were obtained with a newly-built high temperature molecular beam source. Vibrational structure was resolved in the photoelectron spectra of the three cluster species. The Jahn-Teller effect is discussed for the 2 E and 2 T 2 states of P 4 + and As 4 + . As a result of the Jahn-Teller effect, the 2 E state splits into two bands, and the 2 T 2 state splits into three bands, in combination with the spin-orbit effect. It was observed that the ν 2 normal vibrational mode was involved in the vibronic interaction of the 2 E state, while both the ν 2 and ν 3 modes were active in the 2 T 2 state. 26 refs., 5 figs., 3 tabs
Phase diagram of alkali-doped fullerides: A rotationally-invariant slave-boson perspective
Isidori, Aldo; Capone, Massimo
We study the phase diagram of alkali-doped fullerides (A3C60 with A = K , Rb , Cs) as a function of the local Coulomb interaction U and the phonon-mediated Jahn-Teller coupling J for various levels of electron filling. In these materials, the Jahn-Teller coupling between electrons and the vibrational modes of the C60 molecules effectively reverses the sign of the Hund's coupling, providing a source for a local s-wave pairing mechanism. Using the rotationally-invariant slave-boson formalism we investigate the phase transitions between metallic (superconducting) states and different types of Mott insulating states at either large U or large J, revealing a correlation-induced enhancement of superconductivity in proximity of the Mott localization mechanism. A. I. acknowledges financial support from the European Research Council via the ERC-2015-AdG FIRSTORM.
Overshooting Effects in Nonequilibrium Ordering Dynamics
DEFF Research Database (Denmark)
Gilhøj, Henriette; Jeppesen, Claus; Mouritsen, Ole G.
1995-01-01
Using Monte Carlo simulation on the simplest possible statistical mechanical model, the two-dimensional, nonconserved kinetic Ising model that undergoes an order-disorder transition, we show that the local order of the ordering domains, subsequent to a temperature quench, transiently overshoots t...... the value of the equilibrium order parameter. It is argued that overshooting is a generic effect in ordering dynamics, independent of the detailed dynamics and the conservation laws in effect....
Excitonic dynamical Franz-Keldysh effect
DEFF Research Database (Denmark)
Nordstrøm, K.B.; Johnsen, Kristinn; Allen, S.J.
1998-01-01
The dynamical Franz-Keldysh effect is exposed by exploring near-band-gap absorption in the presence of intense THz electric fields. It bridges the gap between the de Franz-Keldysh effect and multiphoton absorption and competes with the THz ac Stark effect in shifting the energy of the excitonic...... resonance. A theoretical model which includes the strong THz field nonperturbatively via a nonequilibrium Green functions technique is able to describe the dynamical Franz-Keldysh effect in the presence of excitonic absorption....
Dynamic effects of diabatization in distillation columns
DEFF Research Database (Denmark)
Bisgaard, Thomas; Huusom, Jakob Kjøbsted; Abildskov, Jens
2013-01-01
The dynamic effects of diabatization in distillation columns are investigated in simulation emphasizing the heat-integrated distillation column (HIDiC). A generic, dynamic, first-principle model has been formulated, which is flexible enough to describe various diabatic distillation configurations....... Dynamic Relative Gain Array and Singular Value Analysis have been applied in a comparative study of a conventional distillation column and a HIDiC. The study showed increased input-output coupling due to diabatization. Feasible SISO control structures for the HIDiC were also found and control...
Dynamical 3-Space Gravitational Waves: Reverberation Effects
Directory of Open Access Journals (Sweden)
Cahill R. T.
2013-04-01
Full Text Available Gravity theory missed a key dynamical process that became ap parent only when ex- pressed in terms of a velocity field, instead of the Newtonian gravitational acceleration field. This dynamical process involves an additional self-i nteraction of the dynam- ical 3-space, and experimental data reveals that its streng th is set by the fine struc- ture constant, implying a fundamental link between gravity and quantum theory. The dynamical 3-space has been directly detected in numerous li ght-speed anisotropy ex- periments. Quantum matter has been shown to exhibit an accel eration caused by the time-dependence and inhomogeneity of the 3-space flow, givi ng the first derivation of gravity from a deeper theory, as a quantum wave refraction effect. EM radiation is also refracted in a similar manner. The anisotropy experiments have all shown 3-space wave / turbulence effects, with the latest revealing the fractal structure of 3-s pace. Here we report the prediction of a new effect, namely a reverberation effect, when the gravi- tational waves propagate in the 3-space inflow of a large mass . This effect arises from the non-linear dynamics of 3-space. These reverberations c ould offer an explanation for the Shnoll effect, in which cosmological factors influence stochastic pro cesses, such as radioactive decay rates.
Stochastic Effects in Autoimmune Dynamics
Directory of Open Access Journals (Sweden)
Farzad Fatehi
2018-02-01
Full Text Available Among various possible causes of autoimmune disease, an important role is played by infections that can result in a breakdown of immune tolerance, primarily through the mechanism of “molecular mimicry”. In this paper we propose and analyse a stochastic model of immune response to a viral infection and subsequent autoimmunity, with account for the populations of T cells with different activation thresholds, regulatory T cells, and cytokines. We show analytically and numerically how stochasticity can result in sustained oscillations around deterministically stable steady states, and we also investigate stochastic dynamics in the regime of bi-stability. These results provide a possible explanation for experimentally observed variations in the progression of autoimmune disease. Computations of the variance of stochastic fluctuations provide practically important insights into how the size of these fluctuations depends on various biological parameters, and this also gives a headway for comparison with experimental data on variation in the observed numbers of T cells and organ cells affected by infection.
Derzsi, Mariana
2013-08-21
The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects. The collective Jahn-Teller deformations lead either to tetragonal contraction or (seldom) elongation of the rock salt lattice. On the basis of the rock salt representation of the oxides and sulfates, we show that PdO, CuO, and AgO are metrically related and that the 4d and 5d metal sulfates are close to isostructural with their oxides. These observations guide us towards as yet unknown AuO and PtSO4, for which we predict crystal structures from electronic structure calculations. The structural relations of (and between) late transition metal monoxides, MO, and monosulfates, MSO4, are analyzed. We show that all of these late transition metal oxides, as well as 4d and 5d metal sulfates, crystallize in distorted rock salt lattices and argue that the distortions are driven by collective first- and/or second order Jahn-Teller effects, as quantified by the c′/a′ ratio. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Effect of Dynamic Meditation on Mental Health.
Iqbal, Naved; Singh, Archana; Aleem, Sheema
2016-02-01
Although traditional meditation has been found to be effective in improving physical and mental health of subjects, there was a paucity of research of the effect of active or dynamic meditation on these variables. Therefore, the present study was aimed at studying the effect of dynamic meditation on mental health of the subjects. Total sample of the present study comprised 60 subjects, 30 each in experimental and control group. Subjects in experimental group were given 21-day training in dynamic meditation. Mental health of the experimental and control group subjects was measured in pre- and post-condition with the help of Mental Health Inventory developed by Jagadish and Srivastava (Mental Health inventory, Manovaigyanik Parikshan Sansthan, Varanasi, 1983). Obtained data were analyzed with the help of ANCOVA. In post-condition, experimental group scored better than control group on integration of personality, autonomy and environmental mastery. Effect sizes of dynamic meditation on these dimensions of mental health were large. However, experimental group and control group did not differ significantly on positive self-evaluation, perception of reality and group-oriented attitude dimensions of mental health in post-condition. Overall, dynamic meditation training was effective in improving mental health of the subjects.
Kinetic effects in dynamic wetting
Sprittles, James
2017-11-01
The maximum speed at which a liquid can wet a solid is limited by the need to displace gas lubrication films in front of the moving contact line. The characteristic height of these films is often comparable to the mean free path in the gas so that hydrodynamic models do not adequately describe the flow physics. In this talk, I will develop a model which incorporates kinetic effects in the gas, via the Boltzmann equation, and can predict experimentally-observed increases in the maximum speed of wetting when (a) the liquid's viscosity is varied, (b) the ambient gas pressure is reduced or (c) the meniscus is confined. This work was supported by the Leverhulme Trust (Research Project Grant) and the Engineering & Physical Sciences Research Council (Grant EP/N016602/1).
Effective evolution equations from quantum dynamics
Benedikter, Niels; Schlein, Benjamin
2016-01-01
These notes investigate the time evolution of quantum systems, and in particular the rigorous derivation of effective equations approximating the many-body Schrödinger dynamics in certain physically interesting regimes. The focus is primarily on the derivation of time-dependent effective theories (non-equilibrium question) approximating many-body quantum dynamics. The book is divided into seven sections, the first of which briefly reviews the main properties of many-body quantum systems and their time evolution. Section 2 introduces the mean-field regime for bosonic systems and explains how the many-body dynamics can be approximated in this limit using the Hartree equation. Section 3 presents a method, based on the use of coherent states, for rigorously proving the convergence towards the Hartree dynamics, while the fluctuations around the Hartree equation are considered in Section 4. Section 5 focuses on a discussion of a more subtle regime, in which the many-body evolution can be approximated by means of t...
Dynamical effects prior to heavy ion fusion
International Nuclear Information System (INIS)
Mikhajlova, T.I.; Mikhajlov, I.N.; Molodtsova, I.V.; Di Toro, M.
2002-01-01
Dynamical effects in the initial phase of fusion reactions are studied following the evolution of two colliding 100 Mo ions. The role of elastic forces associated with the Fermi-surface deformation is shown by comparing the results obtained with and without taking the memory effects into account. The Bass barrier separating fused and scattered configurations and the lower bound for the extra push energy are estimated. Examples of cases are shown in which the excitation energy and deformation dependence of the friction parameter are fictitious and simulate the effects of collective motion related with the Fermi-surface deformations
Effects of driving time on microsaccadic dynamics.
Di Stasi, Leandro L; McCamy, Michael B; Pannasch, Sebastian; Renner, Rebekka; Catena, Andrés; Cañas, José J; Velichkovsky, Boris M; Martinez-Conde, Susana
2015-02-01
Driver fatigue is a common cause of car accidents. Thus, the objective detection of driver fatigue is a first step toward the effective management of fatigue-related traffic accidents. Here, we investigated the effects of driving time, a common inducer of driver fatigue, on the dynamics of fixational eye movements. Participants drove for 2 h in a virtual driving environment while we recorded their eye movements. Microsaccade velocities decreased with driving time, suggesting a potential effect of fatigue on microsaccades during driving.
Dynamic Dilution Effects in Polymeric Networks
DEFF Research Database (Denmark)
Skov, Anne Ladegaard; Sommer-Larsen, Peter; Hassager, Ole
2006-01-01
The relaxation processes occurring in slightly and well-entangled polydimetylsiloxane ( PDMS) networks are investigated. Swelling experiments are performed in order to determine the sol fractions. The low-frequency linear rheology of the two types of networks reveal two significant relaxation pro...... by the change in the amount of dangling arms and solubles with stoichiometry. The star arm relaxation is suppressed by washing out the sol fraction which is seen as a clear example of the dynamic dilution effect arising from the small amount of non-reactive PDMS....... processes, namely the reptation of linear species within the network and the arm withdrawal process of star arms in the sol fraction and of dangling single-chain ends attached to the network. The relaxation spectra are influenced by the stoichiometry to a large extent due to dynamic dilution effects caused...
Effects of mobility on ordering dynamics
International Nuclear Information System (INIS)
Baronchelli, Andrea; Pastor-Satorras, Romualdo
2009-01-01
Models of ordering dynamics allow us to understand natural systems in which an initially disordered population homogenizes some traits via local interactions. The simplest of these models, with wide applications ranging from evolutionary to social dynamics, are the Voter and Moran processes, usually defined in terms of static or randomly mixed individuals that interact with a neighbor to copy or modify a discrete trait. Here we study the effects of diffusion in Voter/Moran processes by proposing a generalization of ordering dynamics in a metapopulation framework, in which individuals are endowed with mobility and diffuse through a spatial structure represented as a graph of patches upon which interactions take place. We show that diffusion dramatically affects the time to reach the homogeneous state, independently of the underlying network's topology, while the final consensus emerges through different local/global mechanisms, depending on the mobility strength. Our results highlight the crucial role played by mobility in ordering processes and set up a general framework that allows its effect to be studied on a large class of models, with implications in the understanding of evolutionary and social phenomena. (letter)
Collision effects on the nuclear dynamics
International Nuclear Information System (INIS)
Gregoire, C.
1987-01-01
The lectures on the collision effects on the nuclear dynamics are reported. A kinetic equation, describing the nuclear dynamics in a microscopical way, is deduced. The Vlasov equation and methods, allowing the obtention of approached solutions, are indicated. Concerning one dimensional and spherical symmetric systems, these solutions applied to the matter slab collisions and to the expansion of the excited spherical cores, are discussed. Moreover, the phenomenology of the collision terms and their application on the heavy ions collisions, are considered. The respective parts of the mean field and the collision term in different cases, are indicated. A link with the transport theories is given by the calculations of dispersions and by means of the Landau-Vlasov equation [fr
Dynamics of the Chemotactic Boycott Effect
Cisneros, Luis; Wolgemuth, Charles; Tuval, Idan
2005-03-01
Aerobic bacteria often live in thin fluid layers on irregular surfaces, near solid-air-water contact lines where the interplay between fluid interface geometry, nutrient transport, and chemotaxis is central to the micro-ecology. To elucidate these processes, we use the simplified geometry of a sessile drop and provide direct experimental evidence for the ``chemotactic Boycott effect" in suspensions of B. subtilis: upward oxygentaxis toward the drop surface leads to accumulation of cells in a thin layer, which flows down to the contact line and produces there a persistent vortex which traps cells near the meniscus. These phenomena are explained quantitatively with a mathematical model consisting of coupled oxygen diffusion and consumption, chemotaxis, and viscous fluid dynamics; they are shown to be associated with a singularity in the chemotactic dynamics at the contact line.
Fita, I.; Szymczak, R.; Puzniak, R.; Wisniewski, A.; Troyanchuk, I. O.; Karpinsky, D. V.; Markovich, V.; Szymczak, H.
2011-02-01
Pressure effect on magnetic properties of polycrystalline La1-xBaxCoO3 (0.1 ⩽ x ⩽ 0.5) was studied by magnetization measurements in the temperature range 5-240 K, magnetic field up to 16 kOe, and under hydrostatic pressure up to 10.5 kbar. For low-doped cobaltites (x=0.1,0.15), it was found that applied pressure enhances the ferromagnetic (FM) cluster phase, resulting in an increase of both spontaneous FM moment and transition temperature of clusters TCcl, while the freezing temperature Tf lowers under pressure appreciably (dTf/dP ≈ -1.4 K/kbar), suggesting the weakening of interaction between clusters. For higher-doped La1-xBaxCoO3 (0.2 ⩽ x ⩽ 0.5), having developed long-range FM order, the systematic increase of TC under pressure was observed with coefficient dTC/dP linearly increasing with doping up to 1.8 K/kbar at x=0.5, the highest value reported for cobaltites. The positive value of the dTC/dP coefficient found for the Ba compound in a whole range of studied doping is in strong contrast to that found in Ca and Sr cobaltites, where the dTC/dP was found to change a sign from a negative to a positive one with increasing doping. It is shown that the sign reversal of the dTC/dP coefficient for La1-xMxCoO3 (m=Ca,Sr,Ba) cobaltites can be caused by the hole doping and also, independently, by the lattice expansion only induced by an increase of the dopant ion size. The complex pressure effect on ferromagnetic transition TC in cobaltites is well described in terms of competing eg-electron bandwidth W and crystal-field splitting energy, basing on the known pressure variations of the steric factors. For La1-xBaxCoO3 with x=0.3,0.5, having a high enough concentration of intermediate spin Co states, we observed a Jahn-Teller-like magnetic transition signified by a distinct hysteresis in field-cooled magnetization below TC. This transition was found to disappear under moderate applied pressure, evidenced for La0.7Ba0.3CoO3 by abrupt changes in the spontaneous
Energy Technology Data Exchange (ETDEWEB)
Bjoerck, A.; Thor, S.E. [Aeronautical Research Inst. of Sweden, Bromma (Sweden)
1996-12-01
The JOULE II project `Dynamic stall and 3D effects` started in January 1994 and was completed in September 1995. The objective of the project has been to increase the understanding of the three-dimensional and unsteady aerodynamics of stall controlled HAWT`s. The objectives have also been to develop `engineering models` suitable for inclusion into aero-elastic codes. The project included the participation of 13 parties within Europe. This paper describes an overview of the work carried out within the project and key results. 3 refs, 4 figs
Plasma dynamics with electron-inertia effects
International Nuclear Information System (INIS)
Shivamoggi, B.K.
1997-01-01
Some aspects of plasma dynamics with electron-inertia effects are considered. The behaviour of (i) one-dimensional steady current sheets, (ii) two-dimensional steady reconnection models, (iii) one-dimensional current-sheet evolution, (iv) linear tearing-mode evaluation and (v) nonlinear magnetic-island evolution in this regime is investigated. Stability of the two-dimensional plasma in this regime is then discussed, and necessary conditions for linear stability in the Liapunov sense for steady states are then given. (author)
Kundu, Ashis; Ghosh, Sheuly; Ghosh, Subhradip
2017-11-01
We investigate the effects of Fe and Co substitutions on the phase stability of the martensitic phase and mechanical, electronic, and magnetic properties of the magnetic shape memory system Mn2NiGa by first-principles density functional theory calculations. The evolution of these aspects upon substitution of Fe and Co at different crystallographic sites is investigated by computing the electronic structure, mechanical properties (tetragonal shear constant, Pugh ratio, and Cauchy pressure), and magnetic exchange parameters. We find that the austenite phase of Mn2NiGa gradually stabilizes with increase in concentration of Fe/Co due to the weakening of the minority spin hybridization of Ni and Mn atoms occupying crystallographically equivalent sites. The interplay between relative structural stability and the compositional changes is understood from the variations in the elastic moduli and electronic structures. We find that like in the Ni2MnGa -based systems, the elastic shear modulus C' can be considered as a predictor of composition dependence of martensitic transformation temperature Tm in substituted Mn2NiGa , thus singling it out as the universally acceptable predictor for martensitic transformation in Ni-Mn-Ga compounds over a wide composition range. The magnetic properties of Mn2NiGa are found to be greatly improved by the substitutions due to stronger ferromagnetic interactions in the compounds. The gradually weaker (stronger) Jahn-Teller distortion (covalent bonding) in the minority spin densities of states due to substitutions leads to a half-metallic-like gap in these compounds resulting in materials with high spin polarization when the substitutions are complete. The substitutions at the Ga site result in the two compounds Mn2NiFe and Mn2NiCo with very high magnetic moments and Curie temperatures. Thus, our work indicates that although the substitutions destroy the martensitic transformation and thus the possibility of realization of shape memory
Effect of pairing on nuclear dynamics
International Nuclear Information System (INIS)
Scamps, Guillaume
2014-01-01
Pairing correlations is an essential component for the description of the atomic nuclei. The effects of pairing on static property of nuclei are now well known. In this thesis, the effect of pairing on nuclear dynamics is investigated. Theories that includes pairing are benchmarked in a model case. The TDHF+BCS theory turns out to be a good compromise between the physics taken into account and the numerical cost. This TDHF+BCS theory was retained for realistic calculations. Nevertheless, the application of pairing in the BCS approximation may induce new problems due to (1) the particle number symmetry breaking, (2) the non-conservation of the continuity equation. These difficulties are analysed in detail and solutions are proposed. In this thesis, a 3 dimensional TDHF+BCS code is developed to simulate the nuclear dynamic. Applications to giant resonances show that pairing modify only the low lying peaks. The high lying collective components are only affected by the initial conditions. An exhaustive study of the giant quadrupole resonances with the TDHF+BCS theory is performed on more than 700 spherical or deformed nuclei. Is is shown that the TDHF+BCS theory reproduces well the collective energy of the resonance. After validation on the small amplitude limit problem, the approach was applied to study nucleon transfer in heavy ion reactions. A new method to extract transfer probabilities is introduced. It is demonstrated that pairing significantly increases the two-nucleon transfer probability. (author) [fr
Effects and effectiveness of dynamic arm supports: a technical review.
van der Heide, Loek A; Gelderblom, Gert Jan; de Witte, Luc P
2015-01-01
Numerous dynamic arm supports have been developed in recent decades to increase independence in the performance of activities of daily living. Much effort and money have been spent on their development and prescription, yet insight into their effects and effectiveness is lacking. This article is a systematic review of evaluations of dynamic arm supports. The 8 technical evaluations, 12 usability evaluations, and 27 outcome studies together make 47 evaluations. Technical evaluations were often used as input for new developments and directed at balancing quality, forces and torques, and range of motion of prototypes. Usability studies were mostly single-measure designs that had varying results as to whether devices were usable for potential users. An increased ability to perform activities of daily living and user satisfaction were reported in outcome studies. However, the use of dynamic arm supports in the home situation was reported to be low. Gaining insight into why devices are not used when their developers believe them to be effective seems crucial for every new dynamic arm support developed. The methodological quality of the outcome studies was often low, so it is important that this is improved in the future.
Two-Channel Kondo Physics due to As Vacancies in the Layered Compound ZrAs1.58Se0.39
Kirchner, Stefan; Cichorek, T.; Bochenek, L.; Schmidt, M.; Niewa, R.; Czuluccki, A.; Auffermann, G.; Steglich, F.; Kniep, R.
We address the origin of the magnetic-field independent - | A | T 1 / 2 term observed in the low-temperature resistivity of several As-based metallic systems of the PbFCl structure type. For the layered compound ZrAs1.58Se0.39, we show that vacancies in the square nets of As give rise to the low-temperature transport anomaly over a wide temperature regime of almost two decades in temperature. This low-temperature behavior is in line with the non-magnetic version of the two-channel Kondo effect, whose origin we ascribe to a dynamic Jahn-Teller effect operating at the vacancy-carrying As layer with a C4 symmetry. The pair-breaking nature of the dynamical defects in the square nets of As explains the low superconducting transition temperature Tc 0 . 14 K of ZrAs1.58Se0.39, as compared to the free-of-vacancies homologue ZrP1.54S0.46 (Tc 3 . 7 K). Our findings should be relevant to a wide class of metals with disordered pnictogen layers.
The effect of morphine on biliary dynamics
International Nuclear Information System (INIS)
Pedersen, S.A.; Oester-Joergensen, E.; Kraglund, K.
1987-01-01
The effect of morphine on biliary dynamics was studied by cholescintigraphy with 99m Tc-HIDA. Among 30 normals without morphine injection 3 did not demonstrate intestinal radioactivity after 1 h, whereas all visualized the gallbladder. Eight normals with morphine injection did not demonstrate intestinal radioactivity after 2 h, but all had gallbladder visualization very early. Variables of the time-activity curves from liver areas did not point to impaired uptake or excretion. Morphine-induced increase in resistance to passage from the common duct to the intestines in normals is of a magnitude that forces the total amount of bile to accumulate in the gallbladder. Results from 11 patients after cholecystectomy indicate that the increase in pressure is less than the maximal secretory pressure of the liver. The resorptive capacity and the compliance of the gallbladder enable these events to take place without signs of secondary liver impairment
On the dynamics of the Meissner effect
Hirsch, J. E.
2016-03-01
The question of how a metal becoming superconducting expels a magnetic field is addressed. It is argued that the conventional theory of superconductivity has not answered this question despite its obvious importance. We argue that the growth of the superconducting region into the normal region and associated expulsion of magnetic field from the superconducting region can only be understood if it is accompanied by motion of charge from the superconducting region into the normal region. From a microscopic point of view it is shown that the perfect diamagnetism of superconductors requires that superconducting electrons reside in orbits of spatial extent 2{λ }L, with {λ }L the London penetration depth. Associated with this physics, the spin-orbit interaction of the electron magnetic moment and the positively charged ionic background gives rise to a ‘Spin Meissner’ effect, the generation of a macroscopic spin current near the surface of superconductors. We point out that both the Meissner and the Spin Meissner effect can be understood dynamically under the assumption that the superfluid condensate wavefunction {{\\Psi }}(r) does not screen itself, just like the {{\\Psi }}(r) for an electron in a hydrogen atom. We argue that the conventional theory of superconductivity cannot explain the Meissner effect because it does not contain the physical elements discussed here.
Effects of dynamic stretches on Isokinetic hamstring and Quadriceps ...
African Journals Online (AJOL)
In conclusion, dynamic stretches have positive effects on muscle strength, H/Q ratios and ROM. Therefore, dynamic stretches may increase performance and reduce the risk of injury to athletes. Keywords: Quadriceps; Hamstrings; Muscles Isokinetic; Dynamic stretches. South African Journal for Research in Sport, Physical ...
The Relevance of the Dynamic Stall Effect for Transient
DEFF Research Database (Denmark)
Jauch, Clemens; Sørensen, Poul; Bak-Jensen, Birgitte
2005-01-01
This article describes a methodology to quantify the influence of dynamic stall on transient fault operations of active-stall turbines. The model of the dynamic stall effect is introduced briefly. The behaviour of the dynamic stall model during a transient fault operation is described mathematica...
Nonadiabatic effects in electronic and nuclear dynamics
Directory of Open Access Journals (Sweden)
Martin P. Bircher
2017-11-01
Full Text Available Due to their very nature, ultrafast phenomena are often accompanied by the occurrence of nonadiabatic effects. From a theoretical perspective, the treatment of nonadiabatic processes makes it necessary to go beyond the (quasi static picture provided by the time-independent Schrödinger equation within the Born-Oppenheimer approximation and to find ways to tackle instead the full time-dependent electronic and nuclear quantum problem. In this review, we give an overview of different nonadiabatic processes that manifest themselves in electronic and nuclear dynamics ranging from the nonadiabatic phenomena taking place during tunnel ionization of atoms in strong laser fields to the radiationless relaxation through conical intersections and the nonadiabatic coupling of vibrational modes and discuss the computational approaches that have been developed to describe such phenomena. These methods range from the full solution of the combined nuclear-electronic quantum problem to a hierarchy of semiclassical approaches and even purely classical frameworks. The power of these simulation tools is illustrated by representative applications and the direct confrontation with experimental measurements performed in the National Centre of Competence for Molecular Ultrafast Science and Technology.
Fluid dynamic effects on staphylococci bacteria biofilms
Sherman, Erica; Bayles, Kenneth; Endres, Jennifer; Wei, Timothy
2016-11-01
Staphylococcus aureus bacteria are able to form biofilms and distinctive tower structures that facilitate their ability to tolerate treatment and to spread within the human body. The formation of towers, which break off, get carried downstream and serve to initiate biofilms in other parts of the body are of particular interest here. It is known that flow conditions play a role in the development, dispersion and propagation of biofilms in general. The influence of flow on tower formation, however, is not at all understood. This work is focused on the effect of applied shear on tower development. The hypothesis being examined is that tower structures form within a specific range of shear stresses and that there is an as yet ill defined fluid dynamic phenomenon that occurs hours before a tower forms. In this study, a range of shear stresses is examined that brackets 0.6 dynes/cm2, the nominal shear stress where towers seem most likely to form. This talk will include µPTV measurements and cell density data indicating variations in flow and biofilm evolution as a function of the applied shear. Causal relations between flow and biofilm development will be discussed.
Dynamic modeling of hydrostatic guideway considering compressibility and inertia effect
Du, Yikang; Mao, Kuanmin; Zhu, Yaming; Wang, Fengyun; Mao, Xiaobo; Li, Bin
2015-03-01
Hydrostatic guideways are used as an alternative to contact bearings due to high stiffness and high damping in heavy machine tools. To improve the dynamic characteristic of bearing structure, the dynamic modeling of the hydrostatic guidway should be accurately known. This paper presents a "mass-spring-Maxwell" model considering the effects of inertia, squeeze, compressibility and static bearing. To determine the dynamic model coefficients, numerical simulation of different cases between displacement and dynamic force of oil film are performed with fluent code. Simulation results show that hydrostatic guidway can be taken as a linear system when it is subjected to a small oscillation amplitude. Based on a dynamic model and numerical simulation, every dynamic model's parameters are calculated by the Levenberg-Marquardt algorithm. Identification results show that "mass-spring-damper" model is the most appropriate dynamic model of the hydrostatic guidway. This paper provides a reference and preparation for the analysis of the dynamic model of the similar hydrostatic bearings.
Effective dynamics along given reaction coordinates, and reaction rate theory.
Zhang, Wei; Hartmann, Carsten; Schütte, Christof
2016-12-22
In molecular dynamics and related fields one considers dynamical descriptions of complex systems in full (atomic) detail. In order to reduce the overwhelming complexity of realistic systems (high dimension, large timescale spread, limited computational resources) the projection of the full dynamics onto some reaction coordinates is examined in order to extract statistical information like free energies or reaction rates. In this context, the effective dynamics that is induced by the full dynamics on the reaction coordinate space has attracted considerable attention in the literature. In this article, we contribute to this discussion: we first show that if we start with an ergodic diffusion process whose invariant measure is unique then these properties are inherited by the effective dynamics. Then, we give equations for the effective dynamics, discuss whether the dominant timescales and reaction rates inferred from the effective dynamics are accurate approximations of such quantities for the full dynamics, and compare our findings to results from approaches like Mori-Zwanzig, averaging, or homogenization. Finally, by discussing the algorithmic realization of the effective dynamics, we demonstrate that recent algorithmic techniques like the "equation-free" approach and the "heterogeneous multiscale method" can be seen as special cases of our approach.
Green luminescence of divalent europium in the hydride chloride EuHCl
International Nuclear Information System (INIS)
Kunkel, Nathalie; Kohlmann, Holger; Rudolph, Daniel; Schleid, Thomas; Meijerink, Andries; Rommel, Stefan; Weihrich, Richard
2015-01-01
Luminescence properties of divalent europium in the mixed-anion hydride chloride EuHCl were studied for the first time. Olive-green single crystals of EuHCl (PbFCl-type structure: tetragonal, P4/nmm, a = 406.58(3) pm, c = 693.12(5) pm, c/a = 1.705, Z = 2) resulted from the reaction of elemental europium (Eu), sodium hydride (NaH) and sodium chloride (NaCl), while powder samples were prepared from the binary components europium dihydride (EuH 2 ) and dichloride (EuCl 2 ). Low temperature X-ray powder diffraction proved the absence of phase transitions for 12(2) K ≤ T ≤ 295(2) K. Bright green emission was observed under UV-excitation and assigned to the 4f 6 5d 1 -4f 7 transition of divalent europium. Temperature-dependent luminescence absorption and emission, as well as lifetime measurements were carried out on single crystal and powder samples. Surprisingly, only limited concentration quenching was found. Additionally, two emission bands (485 and 510 nm) are observed, whose intensity ratio depends strongly on temperature. In order to explain this behavior for a single Eu 2+ site, we suggest either a dynamical Jahn-Teller effect in the excited 5d 1 state or emission from both a 4f 6 5d 1 state and a trapped exciton state. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Energy Technology Data Exchange (ETDEWEB)
Boudon, V
1995-05-01
From a theoretical point of view, a tensorial formalism adapted to the study of molecules or octahedral ions with a half-integer angular momentum has been developed for the first time. We have used here the method of projective representations, more consistent than that of double groups. A complete set of coupling coefficients and formulas, as well as the corresponding computing programs have been elaborated. This has firstly allowed us to write a simple model describing the vibronic structure of colored hexafluorides. Then, some applications of this formalism to the study of ro-vibronic couplings of XY{sub 6} molecules in a fourfold degenerate electronic state have been considered, especially concerning operators associated to dynamic Jahn-Teller effect. From an experimental point of view, we have considered IrF{sub 6}, for which we have mastered the synthesis, purification and conservation processes. A first study at low resolution (absorption and Raman scattering) has been performed for this molecule. We have then set up two high resolution spectroscopic devices in the visible region (saturated absorption - tested with an iodine cell- and simple absorption with multiple pass). These especially use a dye laser. They should now allow the spectroscopy of the visible band of IrF{sub 6} in order to resolve for the first time its fine rotational structure. (author)
Spectroscopy of hexafluorides with an odd number of electrons
International Nuclear Information System (INIS)
Boudon, V.
1995-05-01
From a theoretical point of view, a tensorial formalism adapted to the study of molecules or octahedral ions with a half-integer angular momentum has been developed for the first time. We have used here the method of projective representations, more consistent than that of double groups. A complete set of coupling coefficients and formulas, as well as the corresponding computing programs have been elaborated. This has firstly allowed us to write a simple model describing the vibronic structure of colored hexafluorides. Then, some applications of this formalism to the study of ro-vibronic couplings of XY 6 molecules in a fourfold degenerate electronic state have been considered, especially concerning operators associated to dynamic Jahn-Teller effect. From an experimental point of view, we have considered IrF 6 , for which we have mastered the synthesis, purification and conservation processes. A first study at low resolution (absorption and Raman scattering) has been performed for this molecule. We have then set up two high resolution spectroscopic devices in the visible region (saturated absorption - tested with an iodine cell- and simple absorption with multiple pass). These especially use a dye laser. They should now allow the spectroscopy of the visible band of IrF 6 in order to resolve for the first time its fine rotational structure. (author)
Theory and experimental evidence of phonon domains and their roles in pre-martensitic phenomena
Jin, Yongmei M.; Wang, Yu U.; Ren, Yang
2015-12-01
Pre-martensitic phenomena, also called martensite precursor effects, have been known for decades while yet remain outstanding issues. This paper addresses pre-martensitic phenomena from new theoretical and experimental perspectives. A statistical mechanics-based Grüneisen-type phonon theory is developed. On the basis of deformation-dependent incompletely softened low-energy phonons, the theory predicts a lattice instability and pre-martensitic transition into elastic-phonon domains via 'phonon spinodal decomposition.' The phase transition lifts phonon degeneracy in cubic crystal and has a nature of phonon pseudo-Jahn-Teller lattice instability. The theory and notion of phonon domains consistently explain the ubiquitous pre-martensitic anomalies as natural consequences of incomplete phonon softening. The phonon domains are characterised by broken dynamic symmetry of lattice vibrations and deform through internal phonon relaxation in response to stress (a particular case of Le Chatelier's principle), leading to previously unexplored new domain phenomenon. Experimental evidence of phonon domains is obtained by in situ three-dimensional phonon diffuse scattering and Bragg reflection using high-energy synchrotron X-ray single-crystal diffraction, which observes exotic domain phenomenon fundamentally different from usual ferroelastic domain switching phenomenon. In light of the theory and experimental evidence of phonon domains and their roles in pre-martensitic phenomena, currently existing alternative opinions on martensitic precursor phenomena are revisited.
Dynamic Effects of Diabatization in Distillation Columns
DEFF Research Database (Denmark)
Bisgaard, Thomas; Huusom, Jakob Kjøbsted; Abildskov, Jens
2012-01-01
The dynamic eects of diabatization in distillation columns are investigated in simulation with primary focus on the heat-integrated distillation column (HIDiC). A generic, dynamic, rst-principle model has been formulated, which is exible to describe various diabatic distillation congurations....... Dynamic Relative Gain Array and Singular Value Analysis have been applied in a comparative study of a conventional distillation column and a HIDiC. The study showed increased input-output coupling due to diabatization. Feasible SISO control structures for the HIDiC were also found. Control...
Effect of surface modification and hybridization on dynamic ...
Indian Academy of Sciences (India)
The paper evaluates effect of fibre surface modification and hybridization on dynamic mechanical properties of Roystonea regia/epoxy composites. Surface modification involved alkali and silane treatments. Alkali treatment proved to be more effective on dynamic mechanical properties as compared to silane treatment.
Allee effects on population dynamics in continuous (overlapping) case
International Nuclear Information System (INIS)
Merdan, H.; Duman, O.; Akin, O.; Celik, C.
2009-01-01
This paper presents the stability analysis of equilibrium points of a continuous population dynamics with delay under the Allee effect which occurs at low population density. The mathematical results and numerical simulations show the stabilizing role of the Allee effects on the stability of the equilibrium point of this population dynamics.
Experimental investigations on dynamic effects in impact notch bending tests
International Nuclear Information System (INIS)
Boehme, W.
1985-06-01
The dynamic behaviour of three point bending samples under impact stresses is examined experimentally. Various measuring processes, above all the shadow optics etching process are used. A quasi-static analysis is made by a simple spring/mass model to describe the stress behaviour quantitatively. Based on this, the dynamic effects in model experiments are measured quantitatively with dynamic correction functions and are discussed with reference to the wave processes in the sample. A systematic view of the effect of the many system parameters on the dynamic stress behaviour is obtained. Finally, examples show that the results of this model investigation can be transferred to other experimental conditions. (orig./HP) [de
Dynamic stretching is effective as static stretching at increasing flexibility
Coons, John M.; Gould, Colleen E.; Kim, Jwa K.; Farley, Richard S.; Caputo, Jennifer L.
2017-01-01
This study examined the effect of dynamic and static (standard) stretching on hamstring flexibility. Twenty-five female volleyball players were randomly assigned to dynamic (n = 12) and standard (n = 13) stretching groups. The experimental group trained with repetitive dynamic stretching exercises, while the standard modality group trained with static stretching exercises. The stretching interventions were equivalent in the time at stretch and were performed three days a week for four weeks. ...
Dynamic effective connectivity in resting state fMRI.
Park, Hae-Jeong; Friston, Karl J; Pae, Chongwon; Park, Bumhee; Razi, Adeel
2017-11-20
Context-sensitive and activity-dependent fluctuations in connectivity underlie functional integration in the brain and have been studied widely in terms of synaptic plasticity, learning and condition-specific (e.g., attentional) modulations of synaptic efficacy. This dynamic aspect of brain connectivity has recently attracted a lot of attention in the resting state fMRI community. To explain dynamic functional connectivity in terms of directed effective connectivity among brain regions, we introduce a novel method to identify dynamic effective connectivity using spectral dynamic causal modelling (spDCM). We used parametric empirical Bayes (PEB) to model fluctuations in directed coupling over consecutive windows of resting state fMRI time series. Hierarchical PEB can model random effects on connectivity parameters at the second (between-window) level given connectivity estimates from the first (within-window) level. In this work, we used a discrete cosine transform basis set or eigenvariates (i.e., expression of principal components) to model fluctuations in effective connectivity over windows. We evaluated the ensuing dynamic effective connectivity in terms of the consistency of baseline connectivity within default mode network (DMN), using the resting state fMRI from Human Connectome Project (HCP). To model group-level baseline and dynamic effective connectivity for DMN, we extended the PEB approach by conducting a multilevel PEB analysis of between-session and between-subject group effects. Model comparison clearly spoke to dynamic fluctuations in effective connectivity - and the dynamic functional connectivity these changes explain. Furthermore, baseline effective connectivity was consistent across independent sessions - and notably more consistent than estimates based upon conventional models. This work illustrates the advantage of hierarchical modelling with spDCM, in characterizing the dynamics of effective connectivity. Copyright © 2017 The Authors
Quantum effects in unimolecular reaction dynamics
Energy Technology Data Exchange (ETDEWEB)
Gezelter, Joshua Daniel [Univ. of California, Berkeley, CA (United States)
1995-12-01
This work is primarily concerned with the development of models for the quantum dynamics of unimolecular isomerization and photodissociation reactions. We apply the rigorous quantum methodology of a Discrete Variable Representation (DVR) with Absorbing Boundary Conditions (ABC) to these models in an attempt to explain some very surprising results from a series of experiments on vibrationally excited ketene. Within the framework of these models, we are able to identify the experimental signatures of tunneling and dynamical resonances in the energy dependence of the rate of ketene isomerization. Additionally, we investigate the step-like features in the energy dependence of the rate of dissociation of triplet ketene to form ^{3}B_{1} CH_{2} + ^{1}σ^{+} CO that have been observed experimentally. These calculations provide a link between ab initio calculations of the potential energy surfaces and the experimentally observed dynamics on these surfaces. Additionally, we develop an approximate model for the partitioning of energy in the products of photodissociation reactions of large molecules with appreciable barriers to recombination. In simple bond cleavage reactions like CH_{3}COCl → CH_{3}CO + Cl, the model does considerably better than other impulsive and statistical models in predicting the energy distribution in the products. We also investigate ways of correcting classical mechanics to include the important quantum mechanical aspects of zero-point energy. The method we investigate is found to introduce a number of undesirable dynamical artifacts including a reduction in the above-threshold rates for simple reactions, and a strong mixing of the chaotic and regular energy domains for some model problems. We conclude by discussing some of the directions for future research in the field of theoretical chemical dynamics.
The biomechanical and physiological effect of two dynamic workstations
Botter, J.; Burford, E.M.; Commissaris, D.; Könemann, R.; Mastrigt, S.H.V.; Ellegast, R.P.
2013-01-01
The aim of this research paper was to investigate the effect, both biomechanically and physiologically, of two dynamic workstations currently available on the commercial market. The dynamic workstations tested, namely the Treadmill Desk by LifeSpan and the LifeBalance Station by RightAngle, were
Robust dynamical effects in traffic and chaotic maps on trees
Indian Academy of Sciences (India)
Abstract. In the dynamic processes on networks collective effects emerge due to the couplings between nodes, where the network structure may play an important role. In- teraction along many network links in the nonlinear dynamics may lead to a kind of chaotic collective behavior. Here we study two types of well-defined ...
Dynamic Stall in Pitching Airfoils: Aerodynamic Damping and Compressibility Effects
Corke, Thomas C.; Thomas, Flint O.
2015-01-01
Dynamic stall is an incredibly rich fluid dynamics problem that manifests itself on an airfoil during rapid, transient motion in which the angle of incidence surpasses the static stall limit. It is an important element of many manmade and natural flyers, including helicopters and supermaneuverable aircraft, and low-Reynolds number flapping-wing birds and insects. The fluid dynamic attributes that accompany dynamic stall include an eruption of vorticity that organizes into a well-defined dynamic stall vortex and massive excursions in aerodynamic loads that can couple with the airfoil structural dynamics. The dynamic stall process is highly sensitive to surface roughness that can influence turbulent transition and to local compressibility effects that occur at free-stream Mach numbers that are otherwise incompressible. Under some conditions, dynamic stall can result in negative aerodynamic damping that leads to limit-cycle growth of structural vibrations and rapid mechanical failure. The mechanisms leading to negative damping have been a principal interest of recent experiments and analysis. Computational fluid dynamic simulations and low-order models have not been good predictors so far. Large-eddy simulation could be a viable approach although it remains computationally intensive. The topic is technologically important owing to the desire to develop next-generation rotorcraft that employ adaptive rotor dynamic stall control.
Symmetrical analysis of the defect level splitting in two-dimensional photonic crystals
International Nuclear Information System (INIS)
Malkova, N; Kim, S; Gopalan, V
2003-01-01
In this paper doubly degenerate defect states in the band gap of the two-dimensional photonic crystal are studied. These states can be split by a convenient distortion of the lattice. Through analogy with the Jahn-Teller effect in solids, we present a group theoretical analysis of the lifting of the degeneracy of doubly degenerate states in a square lattice by different vibronic modes. The effect is supported by the supercell plane-wave model and by the finite difference time domain technique. We suggest ways for using the effect in photonic switching devices and waveguides
Anisotropy barrier reduction in fast-relaxing Mn12 single-molecule magnets
Hill, Stephen; Murugesu, Muralee; Christou, George
2009-11-01
An angle-swept high-frequency electron paramagnetic resonance (HFEPR) technique is described that facilitates efficient in situ alignment of single-crystal samples containing low-symmetry magnetic species such as single-molecule magnets (SMMs). This cavity-based technique involves recording HFEPR spectra at fixed frequency and field, while sweeping the applied field orientation. The method is applied to the study of a low-symmetry Jahn-Teller variant of the extensively studied spin S=10 Mn12 SMMs (e.g., Mn12 -acetate). The low-symmetry complex also exhibits SMM behavior, but with a significantly reduced effective barrier to magnetization reversal (Ueff≈43K) and, hence, faster relaxation at low temperature in comparison with the higher-symmetry species. Mn12 complexes that crystallize in lower symmetry structures exhibit a tendency for one or more of the Jahn-Teller axes associated with the MnIII atoms to be abnormally oriented, which is believed to be the cause of the faster relaxation. An extensive multi-high-frequency angle-swept and field-swept electron paramagnetic resonance study of [Mn12O12(O2CCH2But)16(H2O)4]ṡCH2Cl2ṡMeNO2 is presented in order to examine the influence of the abnormally oriented Jahn-Teller axis on the effective barrier to magnetization reversal. The reduction in the axial anisotropy, D , is found to be insufficient to account for the nearly 40% reduction in Ueff . However, the reduced symmetry of the Mn12 core gives rise to a very significant second-order transverse (rhombic) zero-field-splitting anisotropy, E≈D/6 . This, in turn, causes a significant mixing of spin projection states well below the top of the classical anisotropy barrier. Thus, magnetic quantum tunneling is the dominant factor contributing to the effective barrier reduction in fast relaxing Mn12 SMMs.
Dynamical Casimir effect with semi-transparent mirrors, and cosmology
International Nuclear Information System (INIS)
Elizalde, Emilio
2008-01-01
After reviewing some essential features of the Casimir effect and, specifically, of its regularization by zeta function and Hadamard methods, we consider the dynamical Casimir effect (or Fulling-Davies theory), where related regularization problems appear, with a view to an experimental verification of this theory. We finish with a discussion of the possible contribution of vacuum fluctuations to dark energy, in a Casimir-like fashion, that might involve the dynamical version
Electrical detection of magnetization dynamics via spin rectification effects
Energy Technology Data Exchange (ETDEWEB)
Harder, Michael, E-mail: michael.harder@umanitoba.ca; Gui, Yongsheng, E-mail: ysgui@physics.umanitoba.ca; Hu, Can-Ming, E-mail: hu@physics.umanitoba.ca
2016-11-23
The purpose of this article is to review the current status of a frontier in dynamic spintronics and contemporary magnetism, in which much progress has been made in the past decade, based on the creation of a variety of micro and nanostructured devices that enable electrical detection of magnetization dynamics. The primary focus is on the physics of spin rectification effects, which are well suited for studying magnetization dynamics and spin transport in a variety of magnetic materials and spintronic devices. Intended to be intelligible to a broad audience, the paper begins with a pedagogical introduction, comparing the methods of electrical detection of charge and spin dynamics in semiconductors and magnetic materials respectively. After that it provides a comprehensive account of the theoretical study of both the angular dependence and line shape of electrically detected ferromagnetic resonance (FMR), which is summarized in a handbook format easy to be used for analysing experimental data. We then review and examine the similarity and differences of various spin rectification effects found in ferromagnetic films, magnetic bilayers and magnetic tunnel junctions, including a discussion of how to properly distinguish spin rectification from the spin pumping/inverse spin Hall effect generated voltage. After this we review the broad applications of rectification effects for studying spin waves, nonlinear dynamics, domain wall dynamics, spin current, and microwave imaging. We also discuss spin rectification in ferromagnetic semiconductors. The paper concludes with both historical and future perspectives, by summarizing and comparing three generations of FMR spectroscopy which have been developed for studying magnetization dynamics.
Strain-energy effects on dynamic fragmentation
International Nuclear Information System (INIS)
Glenn, L.A.; Chudnovsky, A.
1986-01-01
Grady's model of the dynamic fragmentation process, in which the average fragment size is determined by balancing the local kinetic energy and the surface energy, is modified to include the stored elastic (strain) energy. The revised model predicts that the strain energy should dominate for brittle materials, with low fracture toughness and high fracture-initiation stress. This conclusion is not borne out, however, by limited experimental data on brittle steels, even when the kinetic-energy density is small compared with the strain-energy density
Effect of social group dynamics on contagion
Zhao, Zhenyuan; Calderón, J. P.; Xu, Chen; Zhao, Guannan; Fenn, Dan; Sornette, Didier; Crane, Riley; Hui, Pak Ming; Johnson, Neil F.
2010-05-01
Despite the many works on contagion phenomena in both well-mixed systems and heterogeneous networks, there is still a lack of understanding of the intermediate regime where social group structures evolve on a similar time scale to individual-level transmission. We address this question by considering the process of transmission through a model population comprising social groups which follow simple dynamical rules for growth and breakup. Despite the simplicity of our model, the profiles produced bear a striking resemblance to a wide variety of real-world examples—in particular, empirical data that we have obtained for social (i.e., YouTube), financial (i.e., currency markets), and biological (i.e., colds in schools) systems. The observation of multiple resurgent peaks and abnormal decay times is qualitatively reproduced within the model simply by varying the time scales for group coalescence and fragmentation. We provide an approximate analytic treatment of the system and highlight a novel transition which arises as a result of the social group dynamics.
Cancellation Effects in CSR Induced Bunch Transverse Dynamics in Bends
International Nuclear Information System (INIS)
Li, R.
2002-01-01
The partial cancellation between the effect of centrifugal space charge force on transverse bunch dynamics and the potential energy effect has been a long-standing controversial issue in the study of coherent synchrotron radiation (CSR) induced bunch dynamics in bends. In this paper, we clarify our definition of the ''centrifugal space charge force,'' and discuss the meaning of the ''cancellation effect'' and its general application. We further use simulation to demonstrate the cancellation in both steady state and transient regimes, and show the behavior of the effective transverse force
Ligands of low electronegativity in the vsepr model: first row hydrides MH 2 and MH 3
Glidewell, Christopher
1980-08-01
Skeletal bending potentials are calculated, in the MINDO approximation, for thirteen first row hydrides MH 2, containing six, seven or eight valence electrons, and out-of-plane bending potentials are calculated for nine first row hydrides MH 3 containing seven or eight valence electrons. Both the equilibrium geometries, and the force constants for deformation from linearity for MH 2 or from planarity for MH 3 strongly support an interpretation, in terms of the second order Jahn-Teller effect, of the observed stereochemical inactivity of non-bonding electrons in the presence of ligands of low electronegativity.
International Nuclear Information System (INIS)
Darul, J.; Nowicki, W.; Lathe, C.; Piszora, P.
2011-01-01
This work presents the diffraction features of lithium-manganese oxide in extreme pressure and temperature conditions used as positive electrode materials in lithium-ion batteries. Energy-dispersive X-ray diffraction yield reliable description of material lattice, its distortion and chemical stability under high pressure and at high temperature (HP/HT). The phase evolution as a function of pressure and temperature is reported and analyzed in the LiMn 2 O 4 sample. A comparison with another tetragonal spinel shows the influence of the Jahn-Teller effect on the HP/HT structure of this class of materials.
A variational study of the self-trapped magnetic polaron formation in double-exchange model
International Nuclear Information System (INIS)
Liu Tao; Feng Mang; Wang Kelin
2005-01-01
We study the formation of self-trapped magnetic polaron (STMP) in an antiferro/ferromagnetic double-exchange model semi-analytically by variational solutions. It is shown that the Jahn-Teller effect is not essential to the STMP formation and the STMP forms in the antiferromagnetic material within the region of the order of the lattice constant. We also confirm that no ground state STMP exists in the ferromagnetic background, but the ground state bound MP could appear due to the impurity potential
Infrared properties of perovskite manganites La1-xCaxMnO3 with 0.25 ≤ x ≤ 0.45
Huang, X. H.; Lin, H. Y.; Cheng, Z. J.
2018-01-01
The systematical investigations of infrared phonon spectra were performed on the perovskite manganites La1-xCaxMnO3 with 0.25 ≤ x ≤ 0.45. Both frequency shift of stretching mode and effective number of carriers neff∗(T) change dramatically near the Curie temperature for all compounds. Moreover, Ca concentration dependences of variations of the phonon frequencies and neff∗(T) shows their extreme values around x = 0.35 and 0.40 respectively at the measuring temperatures. With the varying Ca concentration, the competition between the strong Jahn-Teller coupling and the magnetic double exchange interaction may be responsible for those results.
Discontinuity effects in dynamically loaded tilting pad journal bearings
DEFF Research Database (Denmark)
Thomsen, Kim; Klit, Peder; Vølund, Anders
2011-01-01
This paper describes two discontinuity effects that can occur when modelling radial tilting pad bearings subjected to high dynamic loads. The first effect to be treated is a pressure build-up discontinuity effect. The second effect is a contact-related discontinuity that disappears when a contact...... force is included in the theoretical model. Methods for avoiding the pressure build-up discontinuity effect are proposed....
The effect of a dynamic chair on seated energy expenditure.
Synnott, Aoife; Dankaerts, Wim; Seghers, Jan; Purtill, Helen; O'Sullivan, Kieran
2017-10-01
Dynamic sitting approaches have been advocated to increase seated energy expenditure with the view of lessening the sedentary nature of the task. This study compared energy expenditure (EE) and overall body discomfort on a novel dynamic chair with a standard office chair. Fifteen pain-free participants completed a DVD viewing task on both chairs in a randomised order. Energy expenditure and discomfort were collected simultaneously. Linear mixed models were used to analyse steady-state EE recorded on each of the chairs. Differences in discomfort were analysed using Wilkoxon Signed Rank Tests. Sitting on the novel dynamic chair significantly (p = 0.005) increased energy expenditure compared to a standard office chair. The discomfort experienced was mild overall, but was significantly greater on the dynamic chair (p = 0.004). Whilst the EE was seen to be significantly higher on the dynamic chair, the MET values are still below 1.5 METS. Thus, the use of a dynamic chair does not seem to be the most effective measure to prevent sedentary behaviour. Practitioner Summary: Sitting on a dynamic chair increased energy expenditure compared to sitting on a standard office chair among pain-free participants. Whilst the EE was seen to be significantly higher on the dynamic chair, the MET values are still below 1.5 METS (low level EE).
Random operators disorder effects on quantum spectra and dynamics
Aizenman, Michael
2015-01-01
This book provides an introduction to the mathematical theory of disorder effects on quantum spectra and dynamics. Topics covered range from the basic theory of spectra and dynamics of self-adjoint operators through Anderson localization-presented here via the fractional moment method, up to recent results on resonant delocalization. The subject's multifaceted presentation is organized into seventeen chapters, each focused on either a specific mathematical topic or on a demonstration of the theory's relevance to physics, e.g., its implications for the quantum Hall effect. The mathematical chapters include general relations of quantum spectra and dynamics, ergodicity and its implications, methods for establishing spectral and dynamical localization regimes, applications and properties of the Green function, its relation to the eigenfunction correlator, fractional moments of Herglotz-Pick functions, the phase diagram for tree graph operators, resonant delocalization, the spectral statistics conjecture, and rela...
Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effects.
Smith, Brendan; Akimov, Alexey V
2018-04-14
A simple and robust methodology, dubbed Entangled Trajectories Hamiltonian Dynamics (ETHD), is developed to capture quantum nuclear effects such as tunneling and zero-point energy through the coupling of multiple classical trajectories. The approach reformulates the classically mapped second-order Quantized Hamiltonian Dynamics (QHD-2) in terms of coupled classical trajectories. The method partially enforces the uncertainty principle and facilitates tunneling. The applicability of the method is demonstrated by studying the dynamics in symmetric double well and cubic metastable state potentials. The methodology is validated using exact quantum simulations and is compared to QHD-2. We illustrate its relationship to the rigorous Bohmian quantum potential approach, from which ETHD can be derived. Our simulations show a remarkable agreement of the ETHD calculation with the quantum results, suggesting that ETHD may be a simple and inexpensive way of including quantum nuclear effects in molecular dynamics simulations.
Perceptual Effects of Dynamic Range Compression in Popular Music Recordings
DEFF Research Database (Denmark)
Hjortkjær, Jens; Walther-Hansen, Mads
2014-01-01
The belief that the use of dynamic range compression in music mastering deteriorates sound quality needs to be formally tested. In this study normal hearing listeners were asked to evaluate popular music recordings in original versions and in remastered versions with higher levels of dynamic range...... compression. Surprisingly, the results failed to reveal any evidence of the effects of dynamic range compression on subjective preference or perceived depth cues. Perceptual data suggest that listeners are less sensitive than commonly believed to even high levels of compression. As measured in terms...
Effects of Shoreline Dynamics on Saltmarsh Vegetation.
Sharma, Shailesh; Goff, Joshua; Moody, Ryan M; McDonald, Ashley; Byron, Dorothy; Heck, Kenneth L; Powers, Sean P; Ferraro, Carl; Cebrian, Just
2016-01-01
We evaluated the impact of shoreline dynamics on fringing vegetation density at mid- and low-marsh elevations at a high-energy site in the northern Gulf of Mexico. Particularly, we selected eight unprotected shoreline stretches (75 m each) at a historically eroding site and measured their inter-annual lateral movement rate using the DSAS method for three consecutive years. We observed high inter-annual variability of shoreline movement within the selected stretches. Specifically, shorelines retrograded (eroded) in year 1 and year 3, whereas, in year 2, shorelines advanced seaward. Despite shoreline advancement in year 2, an overall net erosion was recorded during the survey period. Additionally, vegetation density generally declined at both elevations during the survey period; however, probably due to their immediate proximity with lateral erosion agents (e.g., waves, currents), marsh grasses at low-elevation exhibited abrupt reduction in density, more so than grasses at mid elevation. Finally, contrary to our hypothesis, despite shoreline advancement, vegetation density did not increase correspondingly in year 2 probably due to a lag in response from biota. More studies in other coastal systems may advance our knowledge of marsh edge systems; however, we consider our results could be beneficial to resource managers in preparing protection plans for coastal wetlands against chronic stressors such as lateral erosion.
Effect of Fluid Dynamic Viscosity on the Strength of Chalk
DEFF Research Database (Denmark)
Hedegaard, K.; Fabricius, Ida Lykke
The mechanical strength of high porosity and weakly cemented chalk is affected by the fluid in the pores. In this study, the effect of the dynamic viscosity of non-polar fluids has been measured on outcrop chalk from Sigerslev Quarry, Stevns, Denmark. The outcome is that the measured strength...... of the chalk decreases with increasing dynamic viscosity. The proposed qualitative explanation is that pressure difference supports and enhances the generation of microscopic shear and tensile failures....
The effect of the Magnus force on skyrmion relaxation dynamics
Brown, Barton L.; Täuber, Uwe C.; Pleimling, Michel
2018-01-01
We perform systematic Langevin molecular dynamics simulations of interacting skyrmions in thin films. The interplay between Magnus force, repulsive skyrmion-skyrmion interaction and thermal noise yields different regimes during non-equilibrium relaxation. In the noise-dominated regime the Magnus force enhances the disordering effects of the thermal noise. In the Magnus-force-dominated regime, the Magnus force cooperates with the skyrmion-skyrmion interaction to yield a dynamic regime with slo...
Memory effects in nonadiabatic molecular dynamics at metal surfaces
DEFF Research Database (Denmark)
Olsen, Thomas; Schiøtz, Jakob
2010-01-01
We study the effect of temporal correlation in a Langevin equation describing nonadiabatic dynamics at metal surfaces. For a harmonic oscillator, the Langevin equation preserves the quantum dynamics exactly and it is demonstrated that memory effects are needed in order to conserve the ground state......, this approach is readily extended to anharmonic potentials. Using density functional theory, we calculate representative Langevin trajectories for associative desorption of N-2 from Ru(0001) and find that memory effects lower the dissipation of energy. Finally, we propose an ab initio scheme to calculate...
Vehicle dynamic effects in the course of passing over turnouts
Directory of Open Access Journals (Sweden)
Zelenka J.
2007-11-01
Full Text Available For the quantification of vehicle dynamic effects at passing over turnouts at a higher speed there was developed a methodology for evaluating of acceleration measured on vehicle axle boxes in the year 2003. The methodology is based on statistical evaluation of lateral and vertical acceleration measured values at passing over both critical parts of a turnout (tongue, frog. The created methodology was used for investigation of vehicle dynamic effects by running at speed up to 230 km/h in the year 2004 in terms of high speed tests of tilting-body unit class 680 CD. There was found relatively high values of dynamic effects already at a speed 160 km/h. In terms of tilting-body unit class 680 tests at a higher speed in curves of chosen track lines of 1st and 2nd corridor of Czech Railways there was carried out also verification of curved turnouts state according to methodology mentioned above with a view to possibility of speed increasing at curved throats of chosen stations. Lateral vehicle dynamic effects at passing over a curved turnout frog area were evaluated. There were carried out simulation calculations of vehicle passing over a turnout based on measured geometric parameters of wheelset as well as chosen turnouts. Results of the calculations were compared with measurements. The increased vehicle dynamic effects found in pulsed beats character influence negatively the turnouts part (not only wheel contacting parts as well as operating life all unsuspended parts of vehicles.
Effect of 4-nonylphenol on the sperm dynamic parameters ...
African Journals Online (AJOL)
4-Nonylphenol (NP) is a compound that causes endocrine disruption and affects sperm quality of mammals and fish. However, the effects of NP on the sperm and fertilization rate of amphibians remain unknown. This study investigates the in vivo and in vitro effects of NP on the sperm dynamic parameters and fertilization ...
Opinion dynamics within a virtual small group: the stubbornness effect
Guazzini, Andrea; Cini, Alessandro; Bagnoli, Franco; Ramasco, José
2015-09-01
The modeling of opinion dynamics is social systems has attracted a good deal of attention in the last decade. Even though based on intuition and observation, the mechanisms behind many of these models need solid empirical grounding. In this work, we investigate the relation among subjective variables (such as the personality), the dynamics of the affinity network dynamics, the communication patterns emerging throughout the social interactions and the opinions dynamics in a series of experiments with five small groups of ten people each. In order to ignite the discussion, the polemic topic of animal experimentation was proposed. The groups essentially polarized in two factions with a set of stubborn individuals (those not changing their opinions in time) playing the role of anchors. Our results suggest that the different layers present in the group dynamics (i.e., individual level, group dynamics and meso-communication) are deeply intermingled, specifically the stubbornness effect appears to be related to the dynamical features of the network topologies, and only in an undirected way to the personality of the participants.
Opinion dynamics within a virtual small group: the stubbornness effect
Directory of Open Access Journals (Sweden)
Andrea eGuazzini
2015-09-01
Full Text Available The modeling of opinion dynamics is social systems has attracted a good deal of attention in the last decade. Even though based on intuition and observation, the mechanisms behind many of these models need solid empirical grounding. In this work, we investigate the relation among subjective variables (such as the personality, the dynamics of the affinity network dynamics, the communication patterns emerging throughout the social interactions and the opinions dynamics in a series of experiments with five small groups of ten people each. In order to ignite the discussion, the polemic topic of animal experimentation was proposed. The groups essentially polarized in two factions with a set of stubborn individuals (those not changing their opinions in time playing the role of anchors. Our results suggest that the different layers present in the group dynamics (i.e., individual level, group dynamics and meso-communication are deeply intermingled, specifically the stubbornness effect appears to be related to the dynamical features of the network topologies, and only in an undirected way to the personality of the participants.
Risselada, H. Jelger; Marrink, Siewert J.
2009-01-01
The molecular packing details of lipids in planar bilayers are well characterized. For curved bilayers, however, little data is available. In this paper we study the effect of temperature and membrane composition on the structural and dynamical properties of a liposomal membrane in the limit of high
Nonlinear Dynamics of Silicon Nanowire Resonator Considering Nonlocal Effect.
Jin, Leisheng; Li, Lijie
2017-12-01
In this work, nonlinear dynamics of silicon nanowire resonator considering nonlocal effect has been investigated. For the first time, dynamical parameters (e.g., resonant frequency, Duffing coefficient, and the damping ratio) that directly influence the nonlinear dynamics of the nanostructure have been derived. Subsequently, by calculating their response with the varied nonlocal coefficient, it is unveiled that the nonlocal effect makes more obvious impacts at the starting range (from zero to a small value), while the impact of nonlocal effect becomes weaker when the nonlocal term reaches to a certain threshold value. Furthermore, to characterize the role played by nonlocal effect in exerting influence on nonlinear behaviors such as bifurcation and chaos (typical phenomena in nonlinear dynamics of nanoscale devices), we have calculated the Lyapunov exponents and bifurcation diagram with and without nonlocal effect, and results shows the nonlocal effect causes the most significant effect as the device is at resonance. This work advances the development of nanowire resonators that are working beyond linear regime.
Experimental investigation of transient thermoelastic effects in dynamic fracture
International Nuclear Information System (INIS)
Rittel, D.
1997-01-01
Thermoelastic effects in fracture are generally considered to be negligible at the benefit of the conversion of plastic work into heat. For the case of dynamic crack initiation, the experimental and theoretical emphasis has been put on the temperature rise associated with crack-tip plasticity. Nevertheless, earlier experimental work with polymers has shown that thermoelastic cooling precedes the temperature rise at the tip of a propagating crack (Fuller et al., 1975). Transient thermoelastic effects at the tip of a dynamically loaded crack have been theoretically assessed and shown to be significant when thermal conductivity is initially neglected. However, the fundamental question of the relation between crack initiation and thermal fields, both of transient nature, is still open. In this paper, we present an experimental investigation of the thermoelastic effect at the tip of fatigue cracks subjected to mixed-mode (dominant mode 1) dynamic loading. The material is commercial polymethylmethacrylate as an example of 'brittle' material. The applied loads, crack-tip temperatures and fracture time are simultaneously monitored to provide a more complete image of dynamic crack initiation. The corresponding evolution of the stress intensity factors is calculated by a hybrid-experimental numerical model. The results show that substantial crack-tip cooling develops initially to an extent which corroborates theoretical estimates. This effect is followed by a temperature rise. Fracture is shown to initiate during the early cooling phase, thus emphasizing the relevance of the phenomenon to dynamic crack initiation in this material as probably in other materials. (author)
Sloshing effect on the dynamic behavior of horizontal cylindrical shells
International Nuclear Information System (INIS)
Lakis, A.A.; Bursuc, G.; Toorani, M.H.
2009-01-01
The present study investigates the effect of free surface motion of a fluid on the dynamic behavior of thin-walled cylindrical shells. This paper outlines a semi-analytical approach to dynamic analysis of a fluid-filled horizontal cylindrical shell taking into account free surface motion; sloshing. The aim of the method is to provide a general approach that can be used for both analysis and synthesis of fluid/structure interaction problems in horizontal cylindrical shells focusing on the dynamic interaction between a flexible structure and incompressible and inviscid flow. The approach is very general; it allows dynamic analysis of both uniform and non-uniform cylindrical shells and considers the fluid forces and includes the sloshing effect exerted on the structure. The hybrid method developed in this work incorporates a combination of the classic finite element approach and thin shell theory to determine the specific displacement functions. Mass and stiffness matrices of the shell are determined by precise analytical integration. A potential function is applied to develop the dynamic pressure due to the fluid. The kinetic and potential energies are evaluated for a range of fluid heights to find the influence of the fluid on the dynamic responses of the structure. The influence of physical and geometrical parameters on the fluid-structure system has been considered in the numerical solutions. When these results are compared with corresponding results available in the literature, both theoretical and experimental, very good agreement is obtained.
Dynamic nonlinear thermal optical effects in coupled ring resonators
Directory of Open Access Journals (Sweden)
Chenguang Huang
2012-09-01
Full Text Available We investigate the dynamic nonlinear thermal optical effects in a photonic system of two coupled ring resonators. A bus waveguide is used to couple light in and out of one of the coupled resonators. Based on the coupling from the bus to the resonator, the coupling between the resonators and the intrinsic loss of each individual resonator, the system transmission spectrum can be classified by three different categories: coupled-resonator-induced absorption, coupled-resonator-induced transparency and over coupled resonance splitting. Dynamic thermal optical effects due to linear absorption have been analyzed for each category as a function of the input power. The heat power in each resonator determines the thermal dynamics in this coupled resonator system. Multiple “shark fins” and power competition between resonators can be foreseen. Also, the nonlinear absorption induced thermal effects have been discussed.
Quantum correlations at infinite temperature: The dynamical Nagaoka effect
Kanász-Nagy, Márton; Lovas, Izabella; Grusdt, Fabian; Greif, Daniel; Greiner, Markus; Demler, Eugene A.
2017-07-01
Do quantum correlations play a role in high-temperature dynamics of many-body systems? A common expectation is that thermal fluctuations lead to fast decoherence and make dynamics classical. In this paper we provide a striking example that a single particle created in a featureless, infinite temperature spin bath not only exhibits nonclassical dynamics but it also induces strong long-lived correlations between the surrounding spins. We study the nonequilibrium dynamics of a hole created in a Mott insulator in the atomic limit, which corresponds to a degenerate spin system. In the absence of interactions, the spin correlations arise purely from quantum interference. Furthermore, these correlations are both antiferromagnetic and ferromagnetic, in striking contrast to the equilibrium Nagaoka effect. These results are relevant for a number of condensed matter spin systems and should be observable using state of the art bosonic or fermionic quantum gas microscopes.
Lattice and magnetic effects in doped manganites
Energy Technology Data Exchange (ETDEWEB)
Gor' kov, L P [L.D. Landau Institute for Theoretical Physics, Russian Academy of Sciences, Moscow (Russian Federation)
1998-06-30
The 'double exchange' mechanism and Jahn-Teller instabilities are shown to account for the low-temperature properties of slightly doped LaMnO{sub 3} in the framework of the band insulator model. Analysis of the doping of La{sub 1-x}A{sub x}MnO{sub 3} with divalent A atoms suggests that Coulomb forces cause holes to be localized near dopants, which makes the formation of conducting clusters along these charged centers a major factor in the physics of such compounds. A percolation theory analysis of experimental data is given. The two-phase coexistence regime and the large-volume Fermi surface at high concentrations are discussed. The relevance of some of the results to doping physics in cuprates is suggested. (special issue)
Colossal magnetoresistance manganites
Indian Academy of Sciences (India)
Keywords. Manganites; colossal magnetoresistance; strongly correlated electron systems; metal-insulator transitions and other electronic transitions; Jahn-Teller polarons and electron-phonon interaction.
Isospin effects on collective nuclear dynamics
Di Toro, M; Baran, V; Larionov, A B
1999-01-01
We suggest several ways to study properties of the symmetry term in the nuclear equation of state, EOS, from collective modes in beta-unstable nuclei. After a general discussion on compressibility and saturation density in asymmetric nuclear matter we show some predictions on the collective response based on the solution of generalized Landau dispersion relations. Isoscalar-isovector coupling, disappearance of collectivity and possibility of new instabilities in low and high density regions are discussed with accent on their relation to the symmetry term of effective forces. The onset of chemical plus mechanical instabilities in a dilute asymmetric nuclear matter is discussed with reference to new features in fragmentation reactions.
Dynamics of electrostatically driven granular media: Effects of humidity
International Nuclear Information System (INIS)
Howell, D. W.; Aronson, Igor S.; Crabtree, G. W.
2001-01-01
We performed experimental studies of the effect of humidity on the dynamics of electrostatically driven granular materials. Both conducting and dielectric particles undergo a phase transition from an immobile state (granular solid) to a fluidized state (granular gas) with increasing applied field. Spontaneous precipitation of solid clusters from the gas phase occurs as the external driving is decreased. The clustering dynamics in conducting particles is primarily controlled by screening of the electric field but is aided by cohesion due to humidity. It is shown that humidity effects dominate the clustering process with dielectric particles
Pressure effects on dynamics behavior of multiwall boron nitride nanotubes
Energy Technology Data Exchange (ETDEWEB)
Talebian, Taha [Faculty of Engineering, Neyshabur Branch, Islamic Azad University, Neyshabur (Iran, Islamic Republic of)
2016-01-15
The dynamic behavior of Multiwall boron nitride nanotubes (MWBNNTs) is investigated by employing multiple elastic shells model. The influences of van der Waals interactions on layers are shown as nonlinear functions of the interlayer distance of MWBNNTs. Governing equations are solved by using the developed finite element method and by employing time history diagrams. The radial wave speed from the outermost layer to the innermost layer is computed. The effects of geometrical factors such as diameter-to-thickness ratio on dynamic behavior of MWBNNTs are determined. The magnification aspects of MWBNNTs are computed, and the effects of surrounding pressures on wave speed and magnification aspect of MWBNNTs are discussed.
Nonlocal effects on dynamic damage accumulation in brittle solids
Energy Technology Data Exchange (ETDEWEB)
Chen, E.P.
1995-12-01
This paper presents a nonlocal analysis of the dynamic damage accumulation processes in brittle solids. A nonlocal formulation of a microcrack based continuum damage model is developed and implemented into a transient dynamic finite element computer code. The code is then applied to the study of the damage accumulation process in a concrete plate with a central hole and subjected to the action of a step tensile pulse applied at opposite edges of the plate. Several finite element discretizations are used to examine the mesh size effect. Comparisons between calculated results based on local and nonlocal formulations are made and nonlocal effects are discussed.
Instrumental resolution effects in neutron scattering studies of protein dynamics
Nickels, Jonathan D.
2013-10-01
In this study, the dynamics of Green Fluorescent protein (GFP) are analyzed using three neutron scattering spectrometers. We focus on the effect of instrumental energy resolution in the analysis of the elastic incoherent structure factor (EISF) and mean square displacement (MSD). This topic still remains a source of controversy. Our data clearly demonstrate the presence of the resolution effect in the dynamic transition for hydrated protein and the onset of translational motions in hydration water consistent with previous results from quasielastic neutron scattering. The 190 K onset of motions in hydration water observed at ∼1 ns is also consistent with a Tg of hydration water below 190 K.
Effect of centrifugation on dynamic susceptibility of magnetic fluids
International Nuclear Information System (INIS)
Pshenichnikov, Alexander; Lebedev, Alexander; Lakhtina, Ekaterina; Kuznetsov, Andrey
2017-01-01
Highlights: • Six samples of magnetic fluid were obtained by centrifuging two base ferrocolloids. • Aggregates in magnetic fluids are main reason of dynamic susceptibility dispersion. • Centrifugation is an effective way of changing the dynamic susceptibility. - Abstract: The dispersive composition, dynamic susceptibility and spectrum of times of magnetization relaxation for six samples of magnetic fluid obtained by centrifuging two base colloidal solutions of the magnetite in kerosene was investigated experimentally. The base solutions differed by the concentration of the magnetic phase and the width of the particle size distribution. The procedure of cluster analysis allowing one to estimate the characteristic sizes of aggregates with uncompensated magnetic moments was described. The results of the magnetogranulometric and cluster analyses were discussed. It was shown that centrifugation has a strong effect on the physical properties of the separated fractions, which is related to the spatial redistribution of particles and multi-particle aggregates. The presence of aggregates in magnetic fluids is interpreted as the main reason of low-frequency (0.1–10 kHz) dispersion of the dynamic susceptibility. The obtained results count in favor of using centrifugation as an effective means of changing the dynamic susceptibility over wide limits and obtaining fluids with the specified type of susceptibility dispersion.
Effects on Respiratory and Circulatory Dynamics
Pender, John W.
1955-01-01
There are exceptions and variations to the general clinical rule that muscle relaxants depress respiration and have no effect on circulation. Variation may be attributed to differences in animal species, in individual response, in muscle affected, in drug used and in dose employed. Conclusions about muscle relaxants derived from animal experiments cannot always be assumed to apply to man. The “respiratory sparing” action of a muscle relaxant cannot be relied upon in any individual patient. Facilities for adequate artificial respiration must always be available when any dose of any muscle relaxant drug is administered. Muscle relaxants affect circulation by inhibition of parasympathetic and sympathetic ganglia, by anticholinesterase activity and by release of histamine. PMID:13250426
The Effect of Rock Phosphate on Soil Nutrient Dynamics, Growth ...
African Journals Online (AJOL)
Field experiment was conducted at Oil Palm Research Institute, Kusi from 2002 to 2007 to as-sess the effect of Phosphate Rock (PR) on soil nutrient dynamics, growth, development and yield of oil palm. The study was carried out on the soils of Nzema series classified as Ferric Acrisols and Typic Hapludult. The oil palm ...
Chain length effect on dynamical structure of poly (vinyl pyrrolidone ...
Indian Academy of Sciences (India)
The formation of complexes and effect of PVP chain length on the molecular dynamics, chain flexibility and stretching of PEG molecules in PVP–PEG mixtures were explored from the comparative values of dielectric relaxation time. Further, relaxation time values in dioxane and benzene solvent confirm the viscosity ...
Perceptual Effects of Dynamic Range Compression in Popular Music Recordings
DEFF Research Database (Denmark)
Hjortkjær, Jens; Walther-Hansen, Mads
2014-01-01
There is a widespread belief that the increasing use of dynamic range compression in music mastering (the loudnesswar) deteriorates sound quality but experimental evidence of perceptual effects is lacking. In this study, normal hearing listeners were asked to evaluate popular music recordings...
Effective population size and evolutionary dynamics in outbred ...
Indian Academy of Sciences (India)
RESEARCH ARTICLE. Effective population size and evolutionary dynamics in outbred laboratory populations of Drosophila. LAURENCE D. MUELLER1∗, AMITABH JOSHI1,2, MARTA SANTOS1 and MICHAEL R. ROSE1. 1Department of Ecology and Evolutionary Biology, University of California, Irvine, CA 92697, USA.
Dynamic Leidenfrost Effect: Relevant Time and Length Scales
Shirota, Minori; van Limbeek, Michiel Antonius Jacobus; Sun, Chao; Prosperetti, Andrea; Lohse, Detlef
2016-01-01
When a liquid droplet impacts a hot solid surface, enough vapor may be generated under it to prevent its contact with the solid. The minimum solid temperature for this so-called Leidenfrost effect to occur is termed the Leidenfrost temperature, or the dynamic Leidenfrost temperature when the droplet
Effect of surface modification and hybridization on dynamic ...
Indian Academy of Sciences (India)
Storage and loss modulus values increased after treatments with simultaneous decrease in tan values. Roystonea regia and glass fibres were used together with varying proportions as reinforcement in epoxy matrix to study the hybridization effect on dynamic mechanical properties. Storage and loss modulus values ...
Effects of Joint Stiffening on the Dynamic Response of Frames ...
African Journals Online (AJOL)
Effects of Joint Stiffening on the Dynamic Response of Frames. ... This work established that natural frequency increases with increase in joint stiffening while joint displacement decreases with increase in joint stiffening and that joint stiffening allows substantial reduction in moments which leads to economic design of ...
Solvent effects on proteinfast dynamics: iplications for biopreservation
Energy Technology Data Exchange (ETDEWEB)
Garcia Sakai, V [University of Maryland and NIST; Khodadadi, S [University of Akron; Cicerone, Marcus T [National Institute of Standards and Technology, Gaithersburg MD; Curtis, J. E. [National Institute of Standards and Technology (NIST), Gaithersburg, MD; Sokolov, Alexei P [ORNL; Roh, J H [University of Maryland
2013-01-01
In the context of biopreservation, we study the influence of water, glycerol and trehalose on the ps ns dynamics of lyzosyme using neutron scattering. Results indicate that the choice of bioprotectant depends on the storage temperature; glycerol is the most effective for low temperatures and trehalose for high temperatures.
Dynamic Incentive Effects of Relative Performance Pay: A Field Experiment
J. Delfgaauw (Josse); A.J. Dur (Robert); J.A. Non (Arjan); W.J.M.I. Verbeke (Willem)
2010-01-01
textabstractWe conduct a field experiment among 189 stores of a retail chain to study dynamic incentive effects of relative performance pay. Employees in the randomly selected treatment stores could win a bonus by outperforming three comparable stores from the control group over the course of four
Thermoelectric Power and Normal State of the High - Tc Copper Oxides
International Nuclear Information System (INIS)
Goodenough, J.B.; Zhou, J.S.; Besuker, G.I.
1995-01-01
The temperature dependence of the thermoelectric power and resistance for the system La 2-x Sr x CuO 4 , 0≤ x ≤0.30, are presented and interpreted. The following model emerges: (1) In the underdoped region 0 2 sheets by Sr substitution form non-adiabatic large polarons containing 6 ± 1 Cu atoms; a cooperative pseudo Jahn-Teller vibronic coupling increases the size of the polaron, but a contraction of the equilibrium Cu-O distance inside the polaron limits the size. Polaron motion occurs via a tunneling of one Cu - O bond at a time. A dynamic segregation into a hole-poor parent phase and a hole-rich superconductive phase occurs below 150K. (2) The range 0.10 2 sheet. In the polaron liquid, pairs of polarons form zig-zag polaron chains; these chains form an ordered array of alternating polaron and parent-phase stripes. Complete ordering of the stripes occurs below Tc. (4) In the overdoped region x>0.27, polaron overcrowding suppresses polaron formation; however, the vibronic coupling stabilized by the dynamic pseudo Jahn -Teller deformations persists to give unusual properties to the overdoped metallic phase. (author)
Dynamical Supergravity Breaking via the Super-Higgs Effect Revisited
Alexandre, Jean; Mavromatos, Nick E
2013-01-01
We investigate the dynamical breaking of local supersymmetry (supergravity), including the Deser-Zumino super-Higgs effect, via the corresponding one-loop effective potential for the simple but quite representative cases of N=1, D=4 simple supergravity and a (simplified) conformal version of it. We find solutions to the effective equations which indicate dynamical generation of a gravitino mass, thus breaking supergravity. In the case of conformal supergravity models, the gravitino mass can be much lower than the Planck scale, for global supersymmetry breaking scales below the Grand Unification scale. The absence of instabilities in the effective potential arising from the quantum fluctuations of the metric field is emphasised, contrary to previous claims in the literature.
Compliance effects on dynamically pitching wind turbine airfoils
Magstadt, Andrew S.
The effects of elastic compliance in dynamically pitching wind turbine blades have been investigated. A numerical model guided wind tunnel testing, which used unsteady surface pressure measurements and phase-locked Particle Imaging Velocimetry to gather aerodynamic information. Using a torsionally compliant member, aeroelastic effects on the unsteady aerodynamics were compared against the results from a corresponding rigidly pitching airfoil to isolate the effects of compliance. The novel experimental apparatus and data acquisition techniques developed at the University of Wyoming showed that the presence of compliance can alter flow-field structures and increase dynamic loading. The high sensitivity of this nonlinear system suggests the formation of fluid-structure instabilities in large-scale turbines and demonstrates the potential for aerodynamic control as a means to mitigate adverse loading effects and improve wind turbine efficiency.
Dynamic droop scheme considering effect of intermittent renewable energy source
DEFF Research Database (Denmark)
Wang, Yanbo; Chen, Zhe; Deng, Fujin
2016-01-01
This paper presents a dynamic droop control scheme for islanded microgrids dominated by intermittent renewable energy sources, which is able to perform desirable power sharing in the presence of renewable energy source fluctuation. First, allowable maximum power points of wind generator and PV...... flexibility and effectiveness in the presence of the renewable energy sources fluctuation....... controller of each DG unit is activated through local logic variable inferred by wind speed and solar insolation information. Simulation results are given for validating the droop control scheme. The proposed dynamic droop scheme preserves the advantage of conventional droop control method, and provides...
Effect of the Magnus force on skyrmion relaxation dynamics
Brown, Barton L.; Täuber, Uwe C.; Pleimling, Michel
2018-01-01
We perform systematic Langevin molecular dynamics simulations of interacting skyrmions in thin films. The interplay between the Magnus force, the repulsive skyrmion-skyrmion interaction, and the thermal noise yields different regimes during nonequilibrium relaxation. In the noise-dominated regime, the Magnus force enhances the disordering effects of the thermal noise. In the Magnus-force-dominated regime, the Magnus force cooperates with the skyrmion-skyrmion interaction to yield a dynamic regime with slow decaying correlations. These two regimes are characterized by different values of the aging exponent. In general, the Magnus force accelerates the approach to the steady state.
Dynamical effect in small-angle neutron diffraction from membranes
International Nuclear Information System (INIS)
Caspar, D.L.D.; Phillips, W.C.
1976-01-01
It has been suggested that multilayers with large repeat periods, fabricated by evaporating alternating thin films of two metals with high scattering-density contrast, could be used as efficient wide-band pass monochromators for x-rays and neutrons. In the limit of a large number of weakly reflecting, periodically arranged layers, the analysis gives results corresponding to those of the dynamical theory for diffraction of x-rays and neutrons from perfect crystals. Measurement of dynamical neutron diffraction effects from membrane arrays provides significant information about the order in the packing and the absolute scattering-density difference between layers
Strong dynamical effects during stick-slip adhesive peeling.
Dalbe, Marie-Julie; Santucci, Stéphane; Cortet, Pierre-Philippe; Vanel, Loïc
2014-01-07
We consider the classical problem of the stick-slip dynamics observed when peeling a roller adhesive tape at a constant velocity. From fast imaging recordings, we extract the dependence of the stick and slip phase durations on the imposed peeling velocity and peeled ribbon length. Predictions of Maugis and Barquins [in Adhesion 12, edited by K. W. Allen, Elsevier ASP, London, 1988, pp. 205-222] based on a quasistatic assumption succeed to describe quantitatively our measurements of the stick phase duration. Such a model however fails to predict the full stick-slip cycle duration, revealing strong dynamical effects during the slip phase.
Quantum fluctuations and dynamical chaos: An effective potential approach
International Nuclear Information System (INIS)
Matinyan, S.G.; Mueller, B.
1997-01-01
The authors discuss the intimate connection between the chaotic dynamics of a classical field theory and the instability of the one-loop effective action of the associated quantum field theory. Using the example of massless scalar electrodynamics, they show how the radiatively induced spontaneous symmetry breaking stabilizes the vacuum state against chaos, and they speculate that monopole condensation can have the same effect in non-Abelian gauge theories
Steric Effects of Solvent Molecules on SN2 Substitution Dynamics.
Liu, Xu; Xie, Jing; Zhang, Jiaxu; Yang, Li; Hase, William L
2017-04-20
Influences of solvent molecules on S N 2 reaction dynamics of microsolvated F - (H 2 O) n with CH 3 I, for n = 0-3, are uncovered by direct chemical dynamics simulations. The direct substitution mechanism, which is important without microsolvation, is quenched dramatically upon increasing hydration. The water molecules tend to force reactive encounters to proceed through the prereaction collision complex leading to indirect reaction. In contrast to F - (H 2 O), reaction with higher hydrated ions shows a strong propensity for ion desolvation in the entrance channel, diminishing steric hindrance for nucleophilic attack. Thus, nucleophilic substitution avoids the potential energy barrier with all of the solvent molecules intact and instead occurs through the less solvated barrier, which is energetically unexpected because the former barrier has a lower energy. The work presented here reveals a trade-off between reaction energetics and steric effects, with the latter found to be crucial in understanding how hydration influences microsolvated S N 2 dynamics.
Perceptual Effects of Dynamic Range Compression in Popular Music Recordings
DEFF Research Database (Denmark)
Hjortkjær, Jens; Walther-Hansen, Mads
2014-01-01
There is a widespread belief that the increasing use of dynamic range compression in music mastering (the loudnesswar) deteriorates sound quality but experimental evidence of perceptual effects is lacking. In this study, normal hearing listeners were asked to evaluate popular music recordings...... of response consistency between different presentations of the same music suggests that listeners are less sensitive to even high levels of dynamic range compression than often argued....... in original versions and in remastered versions with higher levels of dynamic range compression. Surprisingly, we found no evidence of preference for the less compressed music. We also failed to find differences in ratings of perceived "depth" between the original and more compressed audio. A low degree...
Dynamic Leidenfrost Effect: Relevant Time and Length Scales
Shirota, Minori; van Limbeek, Michiel A. J.; Sun, Chao; Prosperetti, Andrea; Lohse, Detlef
2016-02-01
When a liquid droplet impacts a hot solid surface, enough vapor may be generated under it to prevent its contact with the solid. The minimum solid temperature for this so-called Leidenfrost effect to occur is termed the Leidenfrost temperature, or the dynamic Leidenfrost temperature when the droplet velocity is non-negligible. We observe the wetting or drying and the levitation dynamics of the droplet impacting on an (isothermal) smooth sapphire surface using high-speed total internal reflection imaging, which enables us to observe the droplet base up to about 100 nm above the substrate surface. By this method we are able to reveal the processes responsible for the transitional regime between the fully wetting and the fully levitated droplet as the solid temperature increases, thus shedding light on the characteristic time and length scales setting the dynamic Leidenfrost temperature for droplet impact on an isothermal substrate.
Computational Investigation of Dynamic Glottal Aperture Effects on Respiratory Airflow
Xi, Jinxiang; Yan, Hong; Dong, Haibo
2008-11-01
The periodic movement of the glottal aperture (vocal folds) during tidal breathing has been long recognized as a factor in altering the airflow dynamics in the tracheobrnchial region. The potential influence from these altered flow structures on the transport and deposition of inhaled particles is not known. However, studies devoted to this dynamic physiological feature are scarce due to the complex anatomy in of the larynx and numerical challenges in simulating dynamic geometries. In this study, a high-fidelity immersed boundary solver is used to investigate this problem. A 3D human oral-larynx-lung model is firstly reconstructed from MRI data. The role of the vocal fold movement and associated airflow characteristics such as vortex shedding, Coanda effect etc. during inhalation and exhalation are then numerically studied.
THE EFFECT OF TOPOLOGY ON TEMPORAL NETWORK DYNAMICS
Directory of Open Access Journals (Sweden)
Valentina Yu. Guleva
2016-11-01
Full Text Available The effect of initial network topology on a temporal network dynamics is studied. An example of interbank exposures network is considered. It is modeled with a graph, where banks are represented by nodes and interbank lending is represented by edges. The dynamical processes in аtemporal network are defined by state changes of nodes and lie in edges and nodes addition and deletion in a graph, and modification of node states contribute to network evolution. The algorithm of network modification over the whole evolution period is fixed. We present parameters of random, scale free and small world generative models corresponding to different simulation results with fixed modification algorithms. The influence of initial graph topologies on temporal network dynamics is demonstrated. The results obtained give the possibility to assess time interval before the attainment of unstable topology state, and to estimate an optimal topology for the transition to a steady state under fixed modification algorithms.
Neural dynamics of idea generation and the effects of priming.
Iyer, Laxmi R; Doboli, Simona; Minai, Ali A; Brown, Vincent R; Levine, Daniel S; Paulus, Paul B
2009-01-01
Idea generation is a fundamental attribute of the human mind, but the cognitive and neural mechanisms underlying this process remain unclear. In this paper, we present a dynamic connectionist model for the generation of ideas within a brainstorming context. The key hypothesis underlying the model is that ideas emerge naturally from itinerant attractor dynamics in a multi-level, modular semantic space, and the potential surface underlying this dynamics is itself shaped dynamically by task context, ongoing evaluative feedback, inhibitory modulation, and short-term synaptic modification. While abstract, the model attempts to capture the interplay between semantic representations, working memory, attentional selection, reinforcement signals, and modulation. We show that, once trained on a set of contexts and ideas, the system can rapidly recall stored ideas in familiar contexts, and can generate novel ideas by efficient, multi-level dynamical search in both familiar and unfamiliar contexts. We also use a simplified continuous-time instantiation of the model to explore the effect of priming on idea generation. In particular, we consider how priming low-accessible categories in a connectionist semantic network can lead to the generation of novel ideas. The mapping of the model onto various regions and modulatory processes in the brain is also discussed briefly.
Solvent effects on the collapse dynamics of polymers
Chang, Rakwoo; Yethiraj, Arun
2001-05-01
The effect of solvent on the collapse dynamics of polymers is studied using computer simulation. Two cases are investigated, one where the solvent is incorporated through a pairwise additive attraction between the polymer beads and a random force on each polymer bead, and another where the solvent is incorporated in an explicit fashion as a second component. Brownian dynamics and molecular dynamics simulations are used in the former and latter model, respectively, with intermolecular interactions chosen so that the equilibrium size of the polymer is similar in both models at similar conditions. In the Brownian dynamics simulations, at short times local blobs of monomers are found separated by linear segments. With time the blobs grow in size and coalesce to form sausage like shapes. These sausages gradually become thicker and shorter until the final shape of a spherical globule is reached. The first stage is rapid whereas the second sausage-sphere stage is slow. In this stage the polymer often gets trapped in local minima and the change in size with time occurs through discrete jumps, and the equilibrium conformation is often not reached. In contrast, in the molecular dynamics simulations with explicit solvent, the size of the polymer changes smoothly with time, and the polymer does not get trapped in local minima for the cases investigated, although the sequence of polymer shapes is similar. This suggests that incorporating solvent molecules explicitly is important in the computer simulations of collapse and folding of polymers.
Mass effects and internal space geometry in triatomic reaction dynamics
Yanao, Tomohiro; Koon, Wang S.; Marsden, Jerrold E.
2006-05-01
The effect of the distribution of mass in triatomic reaction dynamics is analyzed using the geometry of the associated internal space. Atomic masses are appropriately incorporated into internal coordinates as well as the associated non-Euclidean internal space metric tensor after a separation of the rotational degrees of freedom. Because of the non-Euclidean nature of the metric in the internal space, terms such as connection coefficients arise in the internal equations of motion, which act as velocity-dependent forces in a coordinate chart. By statistically averaging these terms, an effective force field is deduced, which accounts for the statistical tendency of geodesics in the internal space. This force field is shown to play a crucial role in determining mass-related branching ratios of isomerization and dissociation dynamics of a triatomic molecule. The methodology presented can be useful for qualitatively predicting branching ratios in general triatomic reactions, and may be applied to the study of isotope effects.
Partial volume effects in dynamic contrast magnetic resonance renal studies
International Nuclear Information System (INIS)
Gutierrez, D. Rodriguez; Wells, K.; Diaz Montesdeoca, O.; Moran Santana, A.; Mendichovszky, I.A.; Gordon, I.
2010-01-01
This is the first study of partial volume effect in quantifying renal function on dynamic contrast enhanced magnetic resonance imaging. Dynamic image data were acquired for a cohort of 10 healthy volunteers. Following respiratory motion correction, each voxel location was assigned a mixing vector representing the 'overspilling' contributions of each tissue due to the convolution action of the imaging system's point spread function. This was used to recover the true intensities associated with each constituent tissue. Thus, non-renal contributions from liver, spleen and other surrounding tissues could be eliminated from the observed time-intensity curves derived from a typical renal cortical region of interest. This analysis produced a change in the early slope of the renal curve, which subsequently resulted in an enhanced glomerular filtration rate estimate. This effect was consistently observed in a Rutland-Patlak analysis of the time-intensity data: the volunteer cohort produced a partial volume effect corrected mean enhancement of 36% in relative glomerular filtration rate with a mean improvement of 7% in r 2 fitting of the Rutland-Patlak model compared to the same analysis undertaken without partial volume effect correction. This analysis strongly supports the notion that dynamic contrast enhanced magnetic resonance imaging of kidneys is substantially affected by the partial volume effect, and that this is a significant obfuscating factor in subsequent glomerular filtration rate estimation.
Partial volume effects in dynamic contrast magnetic resonance renal studies
Energy Technology Data Exchange (ETDEWEB)
Gutierrez, D. Rodriguez, E-mail: drodriguez@biotronics3d.co [CVSSP, Faculty of Engineering and Physical Sciences, University of Surrey (United Kingdom); Wells, K., E-mail: k.wells@surrey.ac.u [CVSSP, Faculty of Engineering and Physical Sciences, University of Surrey (United Kingdom); Diaz Montesdeoca, O., E-mail: o.diaz.montesdeoca@gmail.co [EUITT, Universidad de Las Palmas de Gran Canaria (Spain); Moran Santana, A. [EUITT, Universidad de Las Palmas de Gran Canaria (Spain); Mendichovszky, I.A., E-mail: iosifm@hotmail.co [Radiology and Physics Unit, UCL Institute of Child Health, London WC1N 1EH (United Kingdom); Gordon, I., E-mail: i.gordon@ich.ucl.ac.u [Radiology and Physics Unit, UCL Institute of Child Health, London WC1N 1EH (United Kingdom)
2010-08-15
This is the first study of partial volume effect in quantifying renal function on dynamic contrast enhanced magnetic resonance imaging. Dynamic image data were acquired for a cohort of 10 healthy volunteers. Following respiratory motion correction, each voxel location was assigned a mixing vector representing the 'overspilling' contributions of each tissue due to the convolution action of the imaging system's point spread function. This was used to recover the true intensities associated with each constituent tissue. Thus, non-renal contributions from liver, spleen and other surrounding tissues could be eliminated from the observed time-intensity curves derived from a typical renal cortical region of interest. This analysis produced a change in the early slope of the renal curve, which subsequently resulted in an enhanced glomerular filtration rate estimate. This effect was consistently observed in a Rutland-Patlak analysis of the time-intensity data: the volunteer cohort produced a partial volume effect corrected mean enhancement of 36% in relative glomerular filtration rate with a mean improvement of 7% in r{sup 2} fitting of the Rutland-Patlak model compared to the same analysis undertaken without partial volume effect correction. This analysis strongly supports the notion that dynamic contrast enhanced magnetic resonance imaging of kidneys is substantially affected by the partial volume effect, and that this is a significant obfuscating factor in subsequent glomerular filtration rate estimation.
Effects of the quantization ambiguities on the Big Bounce dynamics
Hrycyna, Orest; Mielczarek, Jakub; Szydłowski, Marek
2009-05-01
In this paper, we investigate dynamics of the modified loop quantum cosmology models using dynamical systems methods. Modifications considered come from the choice of the different field strength operator F̂ and result in different forms of the effective Hamiltonian. Such an ambiguity of the choice of this expression from some class of functions is allowed in the framework of loop quantization. Our main goal is to show how such modifications can influence the bouncing universe scenario in the loop quantum cosmology. In effective models considered we classify all evolutional paths for all admissible initial conditions. The dynamics is reduced to the form of a dynamical system of the Newtonian type on a two-dimensional phase plane. These models are equivalent dynamically to the FRW models with the decaying effective cosmological term parameterized by the canonical variable p (or by the scale factor a). We demonstrate that the evolutional scenario depends on the geometrical constant parameter Λ as well as the model parameter n. We find that for the positive cosmological constant there is a class of oscillating models without the initial and final singularities. The new phenomenon is the appearance of curvature singularities for the finite values of the scale factor, but we find that for the positive cosmological constant these singularities can be avoided. The values of the parameter n and the cosmological constant differentiate asymptotic states of the evolution. For the positive cosmological constant the evolution begins at the asymptotic state in the past represented by the de Sitter contracting (deS-) spacetime or the static Einstein universe H = 0 or H = - ∞ state and reaches the de Sitter expanding state (deS+), the state H = 0 or H = + ∞ state. In the case of the negative cosmological constant we obtain the past and future asymptotic states as the Einstein static universes.
Gu, Yejun; El-Awady, Jaafar A.
2018-03-01
We present a new framework to quantify the effect of hydrogen on dislocations using large scale three-dimensional (3D) discrete dislocation dynamics (DDD) simulations. In this model, the first order elastic interaction energy associated with the hydrogen-induced volume change is accounted for. The three-dimensional stress tensor induced by hydrogen concentration, which is in equilibrium with respect to the dislocation stress field, is derived using the Eshelby inclusion model, while the hydrogen bulk diffusion is treated as a continuum process. This newly developed framework is utilized to quantify the effect of different hydrogen concentrations on the dynamics of a glide dislocation in the absence of an applied stress field as well as on the spacing between dislocations in an array of parallel edge dislocations. A shielding effect is observed for materials having a large hydrogen diffusion coefficient, with the shield effect leading to the homogenization of the shrinkage process leading to the glide loop maintaining its circular shape, as well as resulting in a decrease in dislocation separation distances in the array of parallel edge dislocations. On the other hand, for materials having a small hydrogen diffusion coefficient, the high hydrogen concentrations around the edge characters of the dislocations act to pin them. Higher stresses are required to be able to unpin the dislocations from the hydrogen clouds surrounding them. Finally, this new framework can open the door for further large scale studies on the effect of hydrogen on the different aspects of dislocation-mediated plasticity in metals. With minor modifications of the current formulations, the framework can also be extended to account for general inclusion-induced stress field in discrete dislocation dynamics simulations.
Dynamic simulation for distortion image with turbulence atmospheric transmission effects
Du, Huijie; Fei, Jindong; Qing, Duzheng; Zhao, Hongming; Yu, Hong; Cheng, Chen
2013-09-01
The imaging through atmospheric turbulence is an inevitable problem encountered by infrared imaging sensors working in the turbulence atmospheric environment. Before light-rays enter the window of the imaging sensors, the atmospheric turbulence will randomly interfere with the transmission of the light waves came from the objects, causing the distribution of image intensity values on the focal plane to diffuse, the peak value to decrease, the image to get blurred, and the pixels to deviate, and making image identification very difficult. Owing to the fact of the long processing time and that the atmospheric turbulent flow field is unknown and hard to be described by mathematical models, dynamic simulation for distortion Image with turbulence atmospheric transmission effects is much more difficult and challenging in the world. This paper discusses the dynamic simulation for distortion Image of turbulence atmospheric transmission effect. First of all, with the data and the optical transmission model of the turbulence atmospheric, the ray-tracing method is applied to obtain the propagation path of optical ray which propagates through the high-speed turbulent flow field, and then to calculate the OPD from the reference wave to the reconverted wave front and obtain the point spread function (PSF). Secondly, infrared characteristics models of typical scene were established according to the theory of infrared physics and heat conduction, and then the dynamic infrared image was generated by OpenGL. The last step is to obtain the distortion Image with turbulence atmospheric transmission effects .With the data of atmospheric transmission computation, infrared simulation image of every frame was processed according to the theory of image processing and the real-time image simulation, and then the dynamic distortion simulation images with effects of blurring, jitter and shifting were obtained. Above-mentioned simulation method can provide the theoretical bases for recovering
Effects of dynamic aging and tensile properties of beryllium
International Nuclear Information System (INIS)
Lashuk, N.K.; Tkachenko, V.G.; Khamatov, R.I.; Artemyuk, S.A.; Kolesnik, L.I.; Yushko, V.G.
1979-01-01
The analysis of temperature dependences of deformation and fracture characteristis (σsub(0.2),σ and σsub(B)) of the TGP beryllium, showed their nonmonotonous character, caused by dynamic aging effects at the temperatures of 200 and 500 deg C. These effects manifest themselves to a variable degree depending on structure and heat treatment of the metal. Dissolved interstitials are responsible for low-temperature aging, while substitutional impurities are responsible for high-temperature aging. Stated is the effect of high-temperature aging berrylium hot brittleness. The corresponding mechanisms are discussed within the frames of dislocation theory of strain aging
Dynamical effects of vegetation on the 2003 summer heat waves
Stéfanon, M.
2012-04-01
Dynamical effects of vegetation on the 2003 summer heat waves Marc Stéfanon(1), Philippe Drobinski(1), Fabio D'Andrea(1), Nathalie de Noblet(2) (1) IPSL/LMD, France; (2) IPSL/LSCE, France The land surface model (LSM) in regional climate models (RCMs) plays a key role in energy and water exchanges between land and atmosphere. The vegetation can affect these exchanges through physical, biophysical and bio-geophysical mechanisms. It participates to evapo-transpiration process which determines the partitioning of net radiation between sensible and latent heat flux, through water evaporation from soil throughout the entire root system. For seasonal timescale leaf cover change induced leaf-area index (LAI) and albedo changes, impacting the Earth's radiative balance. In addition, atmospheric chemistry and carbon concentration has a direct effect on plant stomatal structure, the main exchange interface with the atmosphere. Therefore the surface energy balance is intimately linked to the carbon cycle and vegetation conditions and an accurate representation of the Earth's surface is required to improve the performance of RCMs. It is even more crucial for extreme events as heat waves and droughts which display highly nonlinear behaviour. If triggering of heat waves is determined by the large scale, local coupled processes over land can amplify or inhibit heat trough several feedback mechanism. One set of two simulation has been conducted with WRF, using different LSMs. They aim to study drought and vegetation effect on the dynamical and hydrological processes controlling the occurrence and life cycle of heat waves In the MORCE plateform, the dynamical global vegetation model (DGVM) ORCHIDEE is implemented in the atmospheric module WRF. ORCHIDEE is based on three different modules. The first module, called SECHIBA, describes the fast processes such as exchanges of energy and water between the atmosphere and the biosphere, and the soil water budget. The phenology and carbon
Dynamic effective connectivity of inter-areal brain circuits.
Directory of Open Access Journals (Sweden)
Demian Battaglia
Full Text Available Anatomic connections between brain areas affect information flow between neuronal circuits and the synchronization of neuronal activity. However, such structural connectivity does not coincide with effective connectivity (or, more precisely, causal connectivity, related to the elusive question "Which areas cause the present activity of which others?". Effective connectivity is directed and depends flexibly on contexts and tasks. Here we show that dynamic effective connectivity can emerge from transitions in the collective organization of coherent neural activity. Integrating simulation and semi-analytic approaches, we study mesoscale network motifs of interacting cortical areas, modeled as large random networks of spiking neurons or as simple rate units. Through a causal analysis of time-series of model neural activity, we show that different dynamical states generated by a same structural connectivity motif correspond to distinct effective connectivity motifs. Such effective motifs can display a dominant directionality, due to spontaneous symmetry breaking and effective entrainment between local brain rhythms, although all connections in the considered structural motifs are reciprocal. We show then that transitions between effective connectivity configurations (like, for instance, reversal in the direction of inter-areal interactions can be triggered reliably by brief perturbation inputs, properly timed with respect to an ongoing local oscillation, without the need for plastic synaptic changes. Finally, we analyze how the information encoded in spiking patterns of a local neuronal population is propagated across a fixed structural connectivity motif, demonstrating that changes in the active effective connectivity regulate both the efficiency and the directionality of information transfer. Previous studies stressed the role played by coherent oscillations in establishing efficient communication between distant areas. Going beyond these early
Effects of noise on convergent game-learning dynamics
International Nuclear Information System (INIS)
Sanders, James B T; Galla, Tobias; Shapiro, Jonathan L
2012-01-01
We study stochastic effects on the lagging anchor dynamics, a reinforcement learning algorithm used to learn successful strategies in iterated games, which is known to converge to Nash points in the absence of noise. The dynamics is stochastic when players only have limited information about their opponents’ strategic propensities. The effects of this noise are studied analytically in the case where it is small but finite, and we show that the statistics and correlation properties of fluctuations can be computed to a high accuracy. We find that the system can exhibit quasicycles, driven by intrinsic noise. If players are asymmetric and use different parameters for their learning, a net payoff advantage can be achieved due to these stochastic oscillations around the deterministic equilibrium. (paper)
Estimation of Nonlinear Dynamic Panel Data Models with Individual Effects
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Yi Hu
2014-01-01
Full Text Available This paper suggests a generalized method of moments (GMM based estimation for dynamic panel data models with individual specific fixed effects and threshold effects simultaneously. We extend Hansen’s (Hansen, 1999 original setup to models including endogenous regressors, specifically, lagged dependent variables. To address the problem of endogeneity of these nonlinear dynamic panel data models, we prove that the orthogonality conditions proposed by Arellano and Bond (1991 are valid. The threshold and slope parameters are estimated by GMM, and asymptotic distribution of the slope parameters is derived. Finite sample performance of the estimation is investigated through Monte Carlo simulations. It shows that the threshold and slope parameter can be estimated accurately and also the finite sample distribution of slope parameters is well approximated by the asymptotic distribution.
Sublethal toxicant effects with dynamic energy budget theory: model formulation
Muller, Erik B.; Nisbet, Roger M.; Berkley, Heather A.
2009-01-01
We develop and test a general modeling framework to describe the sublethal effects of pollutants by adding toxicity modules to an established dynamic energy budget (DEB) model. The DEB model describes the rates of energy acquisition and expenditure by individual organisms; the toxicity modules describe how toxicants affect these rates by changing the value of one or more DEB parameters, notably the parameters quantifying the rates of feeding and maintenance. We investigate four toxicity modul...
Dynamic and heterogeneous effects of sibling death on children's outcomes.
Fletcher, Jason; Vidal-Fernandez, Marian; Wolfe, Barbara
2018-01-02
This paper explores the effects of experiencing the death of a sibling on children's developmental outcomes. Recent work has shown that experiencing a sibling death is common and long-term effects are large. We extend understanding of these effects by estimating dynamic effects on surviving siblings' cognitive and socioemotional outcomes, as well as emotional and cognitive support by parents. Using the Children of the National Longitudinal Survey of Youth 1979 (CNLSY79), we find large initial effects on cognitive and noncognitive outcomes that decline over time. We also provide evidence that the effects are larger if the surviving child is older and less prominent if the deceased child was either disabled or an infant, suggesting sensitive periods of exposure. Auxiliary results show that parental investments in the emotional support of surviving children decline following the death of their child.
Polarizability effects on the structure and dynamics of ionic liquids
Energy Technology Data Exchange (ETDEWEB)
Cavalcante, Ary de Oliveira, E-mail: arycavalcante@ufam.edu.br [Institute of Chemistry, University of Campinas – UNICAMP, Cx. P. 6154, Campinas, SP 13084-862 (Brazil); Departamento de Química, Universidade Federal do Amazonas, Av. Rodrigo Octávio, 6200, Coroado, Manaus, AM (Brazil); Ribeiro, Mauro C. C. [Laboratório de Espectroscopia Molecular, Instituto de Química, Universidade de São Paulo, São Paulo, SP C.P. 26077, 05513 970 São Paulo, SP (Brazil); Skaf, Munir S. [Institute of Chemistry, University of Campinas – UNICAMP, Cx. P. 6154, Campinas, SP 13084-862 (Brazil)
2014-04-14
Polarization effects on the structure and dynamics of ionic liquids are investigated using molecular dynamics simulations. Four different ionic liquids were simulated, formed by the anions Cl{sup −} and PF{sub 6}{sup −}, treated as single fixed charge sites, and the 1-n-alkyl-3-methylimidazolium cations (1-ethyl and 1-butyl-), which are polarizable. The partial charge fluctuation of the cations is provided by the electronegativity equalization model (EEM) and a complete parameter set for the cations electronegativity (χ) and hardness (J) is presented. Results obtained from a non-polarizable model for the cations are also reported for comparison. Relative to the fixed charged model, the equilibrium structure of the first solvation shell around the imidazolium cations shows that inclusion of EEM polarization forces brings cations closer to each other and that anions are preferentially distributed above and below the plane of the imidazolium ring. The polarizable model yields faster translational and reorientational dynamics than the fixed charges model in the rotational-diffusion regime. In this sense, the polarizable model dynamics is in better agreement with the experimental data.
Effects of transition on wind tunnel simulation of vehicel dynamics
Ericsson, L. E.
Among the many problems the test engineer faces when trying to simulate full-scale vehicle dynamics in a wind tunnel test is the fact that the test usually will be performed at Reynolds numbers far below those existing on the full-scale vehicle. It is found that a severe scaling problem may exist even in the case of attached flow. The strong coupling existing between boundary layer transition and vehicle motion can cause the wind tunnel results to be very misleading, in some cases dangerously so. For example, the subscale test could fail to show a dynamic stability problem existing in full-scale flight, or, conversely, show one that does not exist. When flow separation occurs together with boundary layer transition, the scaling problem becomes more complicated, and the potential for dangerously misleading subscale test results increases. The existing literature is reviewed to provide examples of the different types of dynamic simulation problems that the test engineer is likely to face. It should be emphasized that the difficulties presented by transition effects in the case of wind tunnel simulation of vehicle dynamics apply to the same extent to numeric simulation methods.
Cu-Sb dumbbell arrangement in the spin-orbital liquid candidate Ba3CuSb2O9
Altmeyer, Michaela; Mila, Frederic; Smerald, Andrew; Valentí, Roser
2017-09-01
The absence of both spin freezing and of a static Jahn-Teller effect have led to the proposition that Ba3CuSb2O9 is a quantum spin-orbital liquid. However, theoretical understanding of the microscopic origin of this behavior has been hampered by a lack of consensus on the lattice structure. Cu ions have been proposed to realize either a triangular lattice, a short-range ordered honeycomb lattice, or a disordered lattice with stripelike correlations. Here we analyze the stability of idealized versions of these arrangements using density functional theory. We find stripe order of Cu ions to be energetically favored, hinting towards stripelike local Cu-Cu arrangements, while long-range order is presumably hindered due to disorder effects. Furthermore, we find evidence of significant interlayer interactions between Cu-Sb dumbbells, which affects the out-of-plane arrangement. Analysis of the relaxed crystal structures, electronic properties, and tight-binding parameters provides clues as to the nature of the Jahn-Teller distortions.
Vibrational mechanics nonlinear dynamic effects, general approach, applications
Blekhman, Iliya I
2000-01-01
This important book deals with vibrational mechanics - the new, intensively developing section of nonlinear dynamics and the theory of nonlinear oscillations. It offers a general approach to the study of the effect of vibration on nonlinear mechanical systems.The book presents the mathematical apparatus of vibrational mechanics which is used to describe such nonlinear effects as the disappearance and appearance under vibration of stable positions of equilibrium and motions (i.e. attractors), the change of the rheological properties of the media, self-synchronization, self-balancing, the vibrat
The Dynamic Effects of Entrepreneurship on Regional Economic Growth
DEFF Research Database (Denmark)
Matejovsky, Lukas; Mohapatra, Sandeep; Steiner, Bodo
2014-01-01
This study explores the temporal pattern of income disparity for Canadian provinces in two estimation steps. First, an econometric growth regression model is applied to identify the impact of entrepreneurship on regional economic growth. The estimation results suggest that entrepreneurship......, measured in terms of the selfemployment rate, plays a pivotal role in determining regional development in Canada. Second, a dynamic vector autoregression (VAR) model is employed to predict the long-run regional growth effects that result from policy shocks affecting entrepreneurship. Compared to other...... growth drivers, entrepreneurship is found to have more pronounced and long-term stimulative effects on regional development for the period of 1987 to 2007...
Complex scattering dynamics and the quantum Hall effects
International Nuclear Information System (INIS)
Trugman, S.A.
1994-01-01
We review both classical and quantum potential scattering in two dimensions in a magnetic field, with applications to the quantum Hall effect. Classical scattering is complex, due to the approach of scattering states to an infinite number of dynamically bound states. Quantum scattering follows the classical behavior rather closely, exhibiting sharp resonances in place of the classical bound states. Extended scatterers provide a quantitative explanation for the breakdown of the QHE at a comparatively small Hall voltage as seen by Kawaji et al., and possibly for noise effects
Effect of centrifugation on dynamic susceptibility of magnetic fluids
Pshenichnikov, Alexander; Lebedev, Alexander; Lakhtina, Ekaterina; Kuznetsov, Andrey
2017-06-01
The dispersive composition, dynamic susceptibility and spectrum of times of magnetization relaxation for six samples of magnetic fluid obtained by centrifuging two base colloidal solutions of the magnetite in kerosene was investigated experimentally. The base solutions differed by the concentration of the magnetic phase and the width of the particle size distribution. The procedure of cluster analysis allowing one to estimate the characteristic sizes of aggregates with uncompensated magnetic moments was described. The results of the magnetogranulometric and cluster analyses were discussed. It was shown that centrifugation has a strong effect on the physical properties of the separated fractions, which is related to the spatial redistribution of particles and multi-particle aggregates. The presence of aggregates in magnetic fluids is interpreted as the main reason of low-frequency (0.1-10 kHz) dispersion of the dynamic susceptibility. The obtained results count in favor of using centrifugation as an effective means of changing the dynamic susceptibility over wide limits and obtaining fluids with the specified type of susceptibility dispersion.
Effects of a Sprinkler on Evacuation Dynamics in Fire
Directory of Open Access Journals (Sweden)
Kazuhiro Yamamoto
2015-06-01
Full Text Available A fire in an enclosed space, such as a room in a building, is generally called a compartment fire. To prevent the compartment fire, a sprinkler for first-aid fire-fighting is installed in rooms. However, it is difficult to determine the degree to which smoke generation and the fire spreading will be inhibited when sprinklers are on. In particular, demonstrating evacuation behavior assuming an actual fire is impossible. In this study, we evaluated an effectiveness of the sprinkler by numerical simulations. To consider evacuation dynamics, a real-coded cellular automata (RCA was used, where we can freely set the direction and velocity of an evacuee based on a floor field model. To consider the situation in the room fire, we used a simulator called Fire Dynamics Simulator (FDS. Two cases with and without the sprinkler were compared to see the validity of the sprinkler on evacuation dynamics. The effect of smoke and the expansion of the fire-spreading region were discussed. Results show that, since the fire-spreading region disappears when the sprinkler is actuated, the evacuation time decreases. Even though the sprinkler is actuated, the smoke generated at the beginning of a fire diffuses inside the whole room. However, the duration of evacuees being overwhelmed by smoke is less, because the amount of smoke generated by the pyrolysis reaction is much decreased.
Loop quantum cosmology of Bianchi IX: effective dynamics
Corichi, Alejandro; Montoya, Edison
2017-03-01
We study solutions to the effective equations for the Bianchi IX class of spacetimes within loop quantum cosmology (LQC). We consider Bianchi IX models whose matter content is a massless scalar field, by numerically solving the loop quantum cosmology effective equations, with and without inverse triad corrections. The solutions are classified using certain geometrically motivated classical observables. We show that both effective theories—with lapse N = V and N = 1—resolve the big bang singularity and reproduce the classical dynamics far from the bounce. Moreover, due to the positive spatial curvature, there is an infinite number of bounces and recollapses. We study the limit of large field momentum and show that both effective theories reproduce the same dynamics, thus recovering general relativity. We implement a procedure to identify amongst the Bianchi IX solutions, those that behave like k = 0,1 FLRW as well as Bianchi I, II, and VII0 models. The effective solutions exhibit Bianchi I phases with Bianchi II transitions and also Bianchi VII0 phases, which had not been studied before. We comment on the possible implications of these results for a quantum modification to the classical BKL behaviour.
Loop quantum cosmology of Bianchi IX: effective dynamics
International Nuclear Information System (INIS)
Corichi, Alejandro; Montoya, Edison
2017-01-01
We study solutions to the effective equations for the Bianchi IX class of spacetimes within loop quantum cosmology (LQC). We consider Bianchi IX models whose matter content is a massless scalar field, by numerically solving the loop quantum cosmology effective equations, with and without inverse triad corrections. The solutions are classified using certain geometrically motivated classical observables. We show that both effective theories—with lapse N = V and N = 1—resolve the big bang singularity and reproduce the classical dynamics far from the bounce. Moreover, due to the positive spatial curvature, there is an infinite number of bounces and recollapses. We study the limit of large field momentum and show that both effective theories reproduce the same dynamics, thus recovering general relativity. We implement a procedure to identify amongst the Bianchi IX solutions, those that behave like k = 0,1 FLRW as well as Bianchi I, II, and VII 0 models. The effective solutions exhibit Bianchi I phases with Bianchi II transitions and also Bianchi VII 0 phases, which had not been studied before. We comment on the possible implications of these results for a quantum modification to the classical BKL behaviour. (paper)
Salinity effects on the dynamics and patterns of desiccation cracks
Shokri, N.; Zhou, P.
2012-12-01
Cracking arising from desiccation is a ubiquitous phenomenon encountered in various industrial and geo-environmental applications including drying of clayey soil, cement, ceramics, gels, and many more colloidal suspensions. Presence of cracks in muddy sediments modifies the characteristics of the medium such as pore structure, porosity, and permeability which in turn influence various flow and transport processes. Thus it remains a topic of great interest in many disciplines to describe the dynamics of desiccation cracking under various boundary conditions. To this end, we conducted a comprehensive study to investigate effects of NaCl concentrations on cracking dynamics and patterns during desiccation of Bentonite. Mixtures of Bentonite and NaCl solutions were prepared with NaCl concentration varying from 2 to 10 percent in 0.5 percent increment (totally 17 configurations). The slurry was placed in a Petri dish mounted on a digital balance to record the evaporation dynamics. The atmospheric conditions were kept constant using an environmental chamber. An automatic camera was used to record the dynamics of macro-cracks (mm scale) at the surface of desiccating clay each minute. The obtained results illustrate the significant effects of salt concentration on the initiation, propagation, morphology and general dynamics of macro-cracks. We found that higher salt concentrations results in larger macro cracks' lengths attributed to the effects of NaCl on compressing the electric double layer of particles at increasing electrolyte concentrations which reduce considerably the repulsive forces among the particles and causing instability of the slurry and flocculation of the colloidal particles. Rheological measurements by means of a stress controlled rheometer revealed that the yield stress of the slurry decreases as NaCl concentration increases which may indicate aggregation of larger units in the slurry as a result of flocculation causing larger cracks' lengths due to
Magnetization dynamics induced by Rashba effect in a Permalloy nanodisk
Energy Technology Data Exchange (ETDEWEB)
Li, Huanan; Hua, Zhong, E-mail: jiyonghnli@126.com; Li, Dongfei
2017-02-15
Magnetic vortex dynamics mediated by spin-polarized ac current of different amplitudes and frequencies are investigated by micromagnetic simulations in a system lacking structure inversion symmetry. Micromagnetic calculations reveal that the critical current density required to induce vortex core reversal may be decreased to below 10{sup 10} A m{sup −2} due to strong transverse magnetic field by Rashba effect. We also find the spin torque of ac current plays a trivial role in magnetic vortex dynamics in a broken inversion symmetry system when the current density is on the order of 10{sup 10} A m{sup −2} and the current with frequency close to the vortex eigenfrequency is the most efficient for reversal.
Effect of Bearing Housings on Centrifugal Pump Rotor Dynamics
Yashchenko, A. S.; Rudenko, A. A.; Simonovskiy, V. I.; Kozlov, O. M.
2017-08-01
The article deals with the effect of a bearing housing on rotor dynamics of a barrel casing centrifugal boiler feed pump rotor. The calculation of the rotor model including the bearing housing has been performed by the method of initial parameters. The calculation of a rotor solid model including the bearing housing has been performed by the finite element method. Results of both calculations highlight the need to add bearing housings into dynamic analyses of the pump rotor. The calculation performed by modern software packages is more a time-taking process, at the same time it is a preferred one due to a graphic editor that is employed for creating a numerical model. When it is necessary to view many variants of design parameters, programs for beam modeling should be used.
Dynamical 3-Space Gravity Theory: Effects on Polytropic Solar Models
Directory of Open Access Journals (Sweden)
Cahill R. T.
2011-01-01
Full Text Available Numerous experiments and observations have confirmed the existence of a dynamical 3-space, detectable directly by light-speed anisotropy experiments, and indirectly by means of novel gravitational effects, such as bore hole g-anomalies, predictable black hole masses, flat spiral-galaxy rotation curves, and the expansion of the universe, all without dark matter and dark energy. The dynamics for this 3-space follows from a unique generalisation of Newtonian gravity, once that is cast into a velocity formalism. This new theory of gravity is applied to the solar model of the sun to compute new density, pressure and temperature profiles, using polytrope modelling of the equation of state for the matter. These results should be applied to a re-analysis of solar neutrino production, and to stellar evolution in general.
Dynamical 3-Space Gravity Theory: Effects on Polytropic Solar Models
Directory of Open Access Journals (Sweden)
May R. D.
2011-01-01
Full Text Available Numerous experiments and observations have confirmed the existence of a dynamical 3-space, detectable directly by light-speed anisotropy experiments, and indirectly by means of novel gravitational effects, such as bore hole g anomalies, predictable black hole masses, flat spiral-galaxy rotation curves, and the expansion of the universe, all without dark matter and dark energy. The dynamics for this 3-space follows from a unique generalisation of Newtonian gravity, once that is cast into a velocity formalism. This new theory of gravity is applied to the solar model of the sun to compute new density, pressure and temperature profiles, using polytrope modelling of the equation of state for the matter. These results should be applied to a re-analysis of solar neutrino production, and to stellar evolution in general.
Molecular Modeling of Enzyme Dynamics Towards Understanding Solvent Effects
DEFF Research Database (Denmark)
Wedberg, Nils Hejle Rasmus Ingemar
) in water and organic solvents. The effects of solvent on structural and dynamical enzyme properties are studied, and special attention is given to how enzyme properties in organic solvents are affected by the hydration level, which is shown to be related to the water activity. In experimental studies...... of enzyme kinetics in non-aqueous media, it has been a fruitful approach to fix the enzyme hydration level by controlling the water activity of the medium. In this work, a protocol is therefore developed for determining the water activity in non-aqueous protein simulations. The method relies on determining......This thesis describes the development of a molecular simulation methodology to study properties of enzymes in non-aqueous media at fixed thermodynamic water activities. The methodology is applied in a molecular dynamics study of the industrially important enzyme Candida antarctica lipase B (CALB...
Thermally assisted ordering in Mott insulators
Sims, Hunter; Pavarini, Eva; Koch, Erik
2017-08-01
Landau theory describes phase transitions as the competition between energy and entropy: The ordered phase has lower energy, while the disordered phase has larger entropy. When heating the system, ordering is reduced entropically until it vanishes at the critical temperature. This picture implicitly assumes that the energy difference between the ordered and disordered phases does not change with temperature. We show that for orbital ordering in the Mott insulator KCuF3, this assumption fails qualitatively: entropy plays a negligible role, while thermal expansion energetically stabilizes the orbitally ordered phase to such an extent that no phase transition is observed. To understand this strong dependence on the lattice constant, we need to take into account the Born-Mayer repulsion between the ions. It is the latter, and not the Jahn-Teller elastic energy, which determines the magnitude of the distortion. This effect will be seen in all materials where the distortion expected from the Jahn-Teller mechanism is so large that the ions would touch. Our mechanism explains not only the absence of a phase transition in KCuF3, but even suggests the possibility of an inverted transition in closed-shell systems, where the ordered phase emerges only at high temperatures.
Waskowska, A; Olsen, J S; Malicka, E
2002-01-01
Structural changes in the cubic spinels CdCr sub 2 sub - sub x Ga sub x Se sub 4 have been studied by means of single-crystal x-ray diffraction at low temperature and energy-dispersive diffraction in a diamond-anvil cell at high pressure. In stoichiometric samples (x = 0), a spontaneous magnetostriction reduces the thermal expansion coefficient from 6.7 x 10 sup - sup 6 K sup - sup 1 in the paramagnetic phase to 2.2 x 10 sup - sup 6 K sup - sup 1 in the ferromagnetic phase (T sub C = 130 K). In the samples with Ga sup 3 sup + admixtures (x = 0.06 and 0.12), a slight structural distortion causes an order-disorder-type phase transition at T sub d approx 285 K connected with changes in the electronic configuration of the Jahn-Teller-active Cr cations. The magnetostriction is apparently not very sensitive to the Ga sup 3 sup + admixtures in the present concentration range. At high pressure the cubic unit cell transforms to a tetragonal one with c/a 0.91. The Jahn-Teller effect is combined with the rocking motions...
The effects of smartphone multitasking on gait and dynamic balance.
Lee, Jeon Hyeong; Lee, Myoung Hee
2018-02-01
[Purpose] This study was performed to analyze the influence of smartphone multitasking on gait and dynamic balance. [Subjects and Methods] The subjects were 19 male and 20 female university students. There were 4 types of gait tasks: General Gait (walking without a task), Task Gait 1 (walking while writing a message), Task Gait 2 (walking while writing a message and listening to music), Task Gait 3 (walking while writing a message and having a conversation). To exclude the learning effect, the order of tasks was randomized. The Zebris FDM-T treadmill system (Zebris Medical GmbH, Germany) was used to measure left and right step length and width, and a 10 m walking test (10MWT) was conducted for gait velocity. In addition, a Timed Up and Go test (TUG) was used to measure dynamic balance. All the tasks were performed 3 times, and the mean of the measured values was analyzed. [Results] There were no statistically significant differences in step length and width. There were statistically significant differences in the 10MWT and TUG tests. [Conclusion] Using a smartphone while walking decreases a person's dynamic balance and walking ability. It is considered that accident rates are higher when using a smartphone.
Damping Effects of Drogue Parachutes on Orion Crew Module Dynamics
Aubuchon, Vanessa V.; Owens, D. Bruce
2016-01-01
Because simulations of the Orion Crew Module (CM) dynamics with drogue parachutes deployed were under-predicting the amount of damping seen in free-flight tests, an attach-point damping model was applied to the Orion system. A key hypothesis in this model is that the drogue parachutes' net load vector aligns with the CM drogue attachment point velocity vector. This assumption seems reasonable and has historically produced good results, but has never been experimentally verified. The wake of the CM influences the drogue parachutes, which makes performance predictions of the parachutes difficult. Many of these effects are not currently modeled in the simulations. A forced oscillation test of the CM with parachutes was conducted in the NASA LaRC 20-Ft Vertical Spin Tunnel (VST) to gather additional data to validate and refine the attach-point damping model. A second loads balance was added to the original Orion VST model to measure the drogue parachute loads independently of the CM. The objective of the test was to identify the contribution of the drogues to CM damping and provide additional information to quantify wake effects and the interactions between the CM and parachutes. The drogue parachute force vector was shown to be highly dependent on the CM wake characteristics. Based on these wind tunnel test data, the attach-point damping model was determined to be a sufficient approximation of the parachute dynamics in relationship to the CM dynamics for preliminary entry vehicle system design. More wake effects should be included to better model the system.
Memory effects in stock price dynamics: evidences of technical trading
Garzarelli, Federico; Cristelli, Matthieu; Pompa, Gabriele; Zaccaria, Andrea; Pietronero, Luciano
2014-03-01
Technical trading represents a class of investment strategies for Financial Markets based on the analysis of trends and recurrent patterns in price time series. According standard economical theories these strategies should not be used because they cannot be profitable. On the contrary, it is well-known that technical traders exist and operate on different time scales. In this paper we investigate if technical trading produces detectable signals in price time series and if some kind of memory effects are introduced in the price dynamics. In particular, we focus on a specific figure called supports and resistances. We first develop a criterion to detect the potential values of supports and resistances. Then we show that memory effects in the price dynamics are associated to these selected values. In fact we show that prices more likely re-bounce than cross these values. Such an effect is a quantitative evidence of the so-called self-fulfilling prophecy, that is the self-reinforcement of agents' belief and sentiment about future stock prices' behavior.
Resonant magnetic perturbation effect on tearing mode dynamics
International Nuclear Information System (INIS)
Frassinetti, L.; Olofsson, K.E.J.; Brunsell, P.R.; Drake, J.R.
2010-01-01
The effect of a resonant magnetic perturbation (RMP) on the tearing mode (TM) dynamics is experimentally studied in the EXTRAP T2R device. EXTRAP T2R is equipped with a set of sensor coils and active coils connected by a digital controller allowing a feedback control of the magnetic instabilities. The recently upgraded feedback algorithm allows the suppression of all the error field harmonics but keeping a selected harmonic to the desired amplitude, therefore opening the possibility of a clear study of the RMP effect on the corresponding TM. The paper shows that the RMP produces two typical effects: (1) a weak oscillation in the TM amplitude and a modulation in the TM velocity or (2) a strong modulation in the TM amplitude and phase jumps. Moreover, the locking mechanism of a TM to a RMP is studied in detail. It is shown that before the locking, the TM dynamics is characterized by velocity modulation followed by phase jumps. Experimental results are reasonably explained by simulations obtained with a model.
Charge-carrier dynamics and Coulomb effects in semiconductor tetrapods
International Nuclear Information System (INIS)
Mauser, Christian
2011-01-01
In this thesis the Coulomb interaction and its influence on localization effects and dynamics of charge carriers in semiconductor nanocrystals were studied. In the studied nanostructures it deals with colloidal tetrapod heterostructures, which consist of a cadmium selenide (CdSe) core and four tetraedrical grown cadmium sulfide (CdS) respectively cadmium telluride (CdTe) legs, which exhibit a type-I respectively type-II band transition. The dynamics and interactions were studied by means of photoluminescence (PL) and absorption measurements both on the ensemble and on single nanoparticles, as well as time-resolved PL and transient absorption spectroscopy. Additionally theoretical simulations of the wave-function distributions were performed, which are based on the effective-mass approximation. The special band structure of the CdSe/CdS tetrapods offers a unique possibility to study the Coulomb interaction. The flat conduction band in these heterostructures makes the electron via the Coulomb interaction sensitive to the localization position of the hole within the structure. The valence band has instead a potential maximum in the CdSe, which leads to a directed localization of the hole and the photoluminescence of the core. Polarization-resolved measurements showed hereby an anisotropy of the photoluminescence, which could be explained by means of simulations of the wave-function distribution with an asymmetry at the branching point. Charge-carrier localization occur mainly both in longer structures and in trap states in the CdS leg and can be demonstrated in form of a dual emission from a nanocrystal. The charge-carrier dynamics of electron and hole in tetrapods is indeed coupled by the Coulomb interaction, however it cannot be completely described in an exciton picture. The coupled dynamics and the Coulomb interaction were studied concerning a possible influence of the geometry in CdSe/CdS nanorods and compared with those of the tetrapods. The interactions of the
Dynamic hysteresis modeling including skin effect using diffusion equation model
Energy Technology Data Exchange (ETDEWEB)
Hamada, Souad, E-mail: souadhamada@yahoo.fr [LSP-IE: Research Laboratory, Electrical Engineering Department, University of Batna, 05000 Batna (Algeria); Louai, Fatima Zohra, E-mail: fz_louai@yahoo.com [LSP-IE: Research Laboratory, Electrical Engineering Department, University of Batna, 05000 Batna (Algeria); Nait-Said, Nasreddine, E-mail: n_naitsaid@yahoo.com [LSP-IE: Research Laboratory, Electrical Engineering Department, University of Batna, 05000 Batna (Algeria); Benabou, Abdelkader, E-mail: Abdelkader.Benabou@univ-lille1.fr [L2EP, Université de Lille1, 59655 Villeneuve d’Ascq (France)
2016-07-15
An improved dynamic hysteresis model is proposed for the prediction of hysteresis loop of electrical steel up to mean frequencies, taking into account the skin effect. In previous works, the analytical solution of the diffusion equation for low frequency (DELF) was coupled with the inverse static Jiles-Atherton (JA) model in order to represent the hysteresis behavior for a lamination. In the present paper, this approach is improved to ensure the reproducibility of measured hysteresis loops at mean frequency. The results of simulation are compared with the experimental ones. The selected results for frequencies 50 Hz, 100 Hz, 200 Hz and 400 Hz are presented and discussed.
Dynamic effects of interaction of composite projectiles with targets
Energy Technology Data Exchange (ETDEWEB)
Zakharov, V. M. [Scientific Research Institute of Applied Mathematics and Mechanics of Tomsk State University, 36, Lenin Avenue, Tomsk, 634050 (Russian Federation)
2016-01-15
The process of high-speed impact of projectiles against targets of finite thickness is experimentally investigated. Medium-hard steel plates are used as targets. The objective of this research is to carry out a comparative analysis of dynamic effects of interaction of various types of projectiles with targets, such as characteristics of destruction of the target, the state of the projectile behind the target, and particularities of the after-penetration stream of fragments after the target has been pierced. The projectiles are made of composites on the basis of tungsten carbide obtained by caking and the SHS-technology. To compare effectiveness of composite projectiles steel projectiles are used. Their effectiveness was estimated in terms of the ballistic limit. High density projectiles obtained by means of the SHS-technology are shown to produce results comparable in terms of the ballistic limit with high-strength projectiles that contain tungsten received by caking.
Environmental Radiation Effects on Mammals A Dynamical Modeling Approach
Smirnova, Olga A
2010-01-01
This text is devoted to the theoretical studies of radiation effects on mammals. It uses the framework of developed deterministic mathematical models to investigate the effects of both acute and chronic irradiation in a wide range of doses and dose rates on vital body systems including hematopoiesis, small intestine and humoral immunity, as well as on the development of autoimmune diseases. Thus, these models can contribute to the development of the system and quantitative approaches in radiation biology and ecology. This text is also of practical use. Its modeling studies of the dynamics of granulocytopoiesis and thrombocytopoiesis in humans testify to the efficiency of employment of the developed models in the investigation and prediction of radiation effects on these hematopoietic lines. These models, as well as the properly identified models of other vital body systems, could provide a better understanding of the radiation risks to health. The modeling predictions will enable the implementation of more ef...
Effects of rainfall on Culex mosquito population dynamics.
Valdez, L D; Sibona, G J; Diaz, L A; Contigiani, M S; Condat, C A
2017-05-21
The dynamics of a mosquito population depends heavily on climatic variables such as temperature and precipitation. Since climate change models predict that global warming will impact on the frequency and intensity of rainfall, it is important to understand how these variables affect the mosquito populations. We present a model of the dynamics of a Culex quinquefasciatus mosquito population that incorporates the effect of rainfall and use it to study the influence of the number of rainy days and the mean monthly precipitation on the maximum yearly abundance of mosquitoes M max . Additionally, using a fracturing process, we investigate the influence of the variability in daily rainfall on M max . We find that, given a constant value of monthly precipitation, there is an optimum number of rainy days for which M max is a maximum. On the other hand, we show that increasing daily rainfall variability reduces the dependence of M max on the number of rainy days, leading also to a higher abundance of mosquitoes for the case of low mean monthly precipitation. Finally, we explore the effect of the rainfall in the months preceding the wettest season, and we obtain that a regimen with high precipitations throughout the year and a higher variability tends to advance slightly the time at which the peak mosquito abundance occurs, but could significantly change the total mosquito abundance in a year. Copyright © 2017 Elsevier Ltd. All rights reserved.
Sumner, Isaiah; Iyengar, Srinivasan S
2007-10-18
We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.
VARIATIONALLY-BASED EFFECTIVE DYNAMIC THICKNESS FOR LAMINATED GLASS BEAMS
Directory of Open Access Journals (Sweden)
Jaroslav Schmidt
2017-11-01
Full Text Available Laminated glass, consisting of glass layers connected with transparent foils, has found its applications in civil, automotive, or marine engineering. Due to a high contrast in layer properties, mechanical response of laminated glass structures cannot be predicted using classical laminate theories. On the other hand, engineering applications demand easy-to-use formulas of acceptable accuracy. This contribution addresses such simplified models for free vibrations of laminated glass beams, with the goal to determine their natural frequencies and modal damping properties. Our strategy is to approximate the complex behavior of a laminated structure with that of an equivalent monolithic beam. Its effective thickness is determined by the variational method proposed by Galuppi and Royer-Carfagni for static problems, which we extended for modal analysis. We show that this new approach overcomes inaccuracies of the currently used dynamic effective thickness model by López-Aenlle and Pelayo.
Studying the effects of dynamical parameters on reactor core temperature
Directory of Open Access Journals (Sweden)
R Khodabakhsh
2015-01-01
Full Text Available In order to increase productivity, reduce depreciation, and avoid possible accidents in a system such as fuel rods' melting and overpressure, control of temperature changes in the reactor core is an important factor. There are several methods for solving and analysing the stability of point kinetics equations. In most previous analyses, the effects of various factors on the temperature of the reactor core have been ignored. In this work, the effects of various dynamical parameters on the temperature of the reactor core and stability of the system in the presence of temperature feedback reactivity with external reactivity step, ramp and sinusoidal for six groups of delayed neutrons were studied using the method of Lyapunov exponent. The results proved to be in good agreement with other works
International Nuclear Information System (INIS)
Weber, F.
2007-01-01
The present thesis concentrates on the signatures of strong electron-phonon coupling in phonon properties measured by inelastic neutron scattering. The inelastic neutron scattering experiments were performed on the triple-axis spectrometers 1T and DAS PUMA at the research reactors in Saclay (France) and Munich (Germany), respectively. The work is subdivided into two separate chapters: In the first part, we report measurements of the lattice dynamical properties, i.e. phonon frequency, linewidth and intensity, of the conventional, i.e. phonon-mediated, superconductor YNi 2 B 2 C of the rare-earth-borocarbide family. The detailed check of theoretical predictions for these properties, which were calculated in the theory group of our institute, was one major goal of this work. We measured phonons in the normal state, i.e. T>T c , for several high symmetry directions up to 70 meV. We were able to extract the full temperature dependence of the superconducting energy gap 2Δ(T) from our phonon scans with such accuracy that even deviations from the weak coupling BCS behaviour could be clearly observed. By measuring phonons at different wave vectors we demonstrated that phonons are sensitive to the gap anisotropy under the precondition, that different phonons get their coupling strength from different parts of the Fermi surface. In the second part, we investigated the properties of Mn-O bond-stretching phonons in the bilayer manganite La 2-2x Sr 1+2x Mn 2 O 7 . At the doping level x=0.38 this compound has an ferromagnetic groundstate and exhibits the so-called colossal magnetoresistance effect in the vicinity of the Curie temperature T C . The atomic displacement patterns of the investigated phonons closely resemble possible Jahn-Teller distortions of the MnO 6 octahedra, which are introduced in this compound by the Jahn-Teller active Mn 3+ ions. We observed strong renormalizations of the phonon frequencies and clear peaks of the intrinsic phonon linewidth near the order
Energy Technology Data Exchange (ETDEWEB)
Weber, F.
2007-11-02
The present thesis concentrates on the signatures of strong electron-phonon coupling in phonon properties measured by inelastic neutron scattering. The inelastic neutron scattering experiments were performed on the triple-axis spectrometers 1T and DAS PUMA at the research reactors in Saclay (France) and Munich (Germany), respectively. The work is subdivided into two separate chapters: In the first part, we report measurements of the lattice dynamical properties, i.e. phonon frequency, linewidth and intensity, of the conventional, i.e. phonon-mediated, superconductor YNi{sub 2}B{sub 2}C of the rare-earth-borocarbide family. The detailed check of theoretical predictions for these properties, which were calculated in the theory group of our institute, was one major goal of this work. We measured phonons in the normal state, i.e. T>T{sub c}, for several high symmetry directions up to 70 meV. We were able to extract the full temperature dependence of the superconducting energy gap 2{delta}(T) from our phonon scans with such accuracy that even deviations from the weak coupling BCS behaviour could be clearly observed. By measuring phonons at different wave vectors we demonstrated that phonons are sensitive to the gap anisotropy under the precondition, that different phonons get their coupling strength from different parts of the Fermi surface. In the second part, we investigated the properties of Mn-O bond-stretching phonons in the bilayer manganite La{sub 2-2x}Sr{sub 1+2x}Mn{sub 2}O{sub 7}. At the doping level x=0.38 this compound has an ferromagnetic groundstate and exhibits the so-called colossal magnetoresistance effect in the vicinity of the Curie temperature T{sub C}. The atomic displacement patterns of the investigated phonons closely resemble possible Jahn-Teller distortions of the MnO{sub 6} octahedra, which are introduced in this compound by the Jahn-Teller active Mn{sup 3+} ions. We observed strong renormalizations of the phonon frequencies and clear peaks of
Filatova, E O
2002-01-01
The experimental investigation of the B and N K-reflection spectra using both s-polarized synchrotron radiation and unpolarized radiation for different crystal orientations with respect to the electric field vector E was carried out. The absorption spectra calculated from the reflection spectra using Kramers-Kronig analysis are presented. A strong orientation dependence of both reflection and absorption spectra is exhibited. Analysis of the orientation dependences of the x-ray reflection and absorption spectra near both edges strongly supports a possibility of tracing the role of each excitation canal in the formation of fine structure. The high sensitivity of the reflection spectra fine structure to the vibronic interaction connected with Jahn-Teller distortions as well to the core-hole relaxation is discussed. A very strong dependence of the absolute values of the reflectivity on planar crystal anisotropy was discovered.
Effective particle size from molecular dynamics simulations in fluids
Ju, Jianwei; Welch, Paul M.; Rasmussen, Kim Ø.; Redondo, Antonio; Vorobieff, Peter; Kober, Edward M.
2018-04-01
We report molecular dynamics simulations designed to investigate the effective size of colloidal particles suspended in a fluid in the vicinity of a rigid wall where all interactions are defined by smooth atomic potential functions. These simulations are used to assess how the behavior of this system at the atomistic length scale compares to continuum mechanics models. In order to determine the effective size of the particles, we calculate the solvent forces on spherical particles of different radii as a function of different positions near and overlapping with the atomistically defined wall and compare them to continuum models. This procedure also then determines the effective position of the wall. Our analysis is based solely on forces that the particles sense, ensuring self-consistency of the method. The simulations were carried out using both Weeks-Chandler-Andersen and modified Lennard-Jones (LJ) potentials to identify the different contributions of simple repulsion and van der Waals attractive forces. Upon correction for behavior arising the discreteness of the atomic system, the underlying continuum physics analysis appeared to be correct down to much less than the particle radius. For both particle types, the effective radius was found to be ˜ 0.75σ , where σ defines the length scale of the force interaction (the LJ diameter). The effective "hydrodynamic" radii determined by this means are distinct from commonly assumed values of 0.5σ and 1.0σ , but agree with a value developed from the atomistic analysis of the viscosity of such systems.
Effective particle size from molecular dynamics simulations in fluids
Ju, Jianwei; Welch, Paul M.; Rasmussen, Kim Ø.; Redondo, Antonio; Vorobieff, Peter; Kober, Edward M.
2017-12-01
We report molecular dynamics simulations designed to investigate the effective size of colloidal particles suspended in a fluid in the vicinity of a rigid wall where all interactions are defined by smooth atomic potential functions. These simulations are used to assess how the behavior of this system at the atomistic length scale compares to continuum mechanics models. In order to determine the effective size of the particles, we calculate the solvent forces on spherical particles of different radii as a function of different positions near and overlapping with the atomistically defined wall and compare them to continuum models. This procedure also then determines the effective position of the wall. Our analysis is based solely on forces that the particles sense, ensuring self-consistency of the method. The simulations were carried out using both Weeks-Chandler-Andersen and modified Lennard-Jones (LJ) potentials to identify the different contributions of simple repulsion and van der Waals attractive forces. Upon correction for behavior arising the discreteness of the atomic system, the underlying continuum physics analysis appeared to be correct down to much less than the particle radius. For both particle types, the effective radius was found to be ˜ 0.75σ , where σ defines the length scale of the force interaction (the LJ diameter). The effective "hydrodynamic" radii determined by this means are distinct from commonly assumed values of 0.5σ and 1.0σ , but agree with a value developed from the atomistic analysis of the viscosity of such systems.
International Nuclear Information System (INIS)
Holland, D.M.P.; Potts, A.W.; Trofimov, A.B.; Breidbach, J.; Schirmer, J.; Feifel, R.; Richter, T.; Godehusen, K.; Martins, M.; Tutay, A.; Yalcinkaya, M.; Al-Hada, M.; Eriksson, S.; Karlsson, L.
2005-01-01
The complete valence shell photoelectron spectrum of tetrafluoromethane has been recorded using synchrotron radiation and the observed structure has been interpreted using ionisation energies and relative spectral intensities computed using the third-order algebraic-diagrammatic-construction (ADC(3)) scheme for the one-particle Green's function and the outer valence Green's function (OVGF) method. The ADC(3) calculations were performed using both the original variant based on the Dyson equation and the recently proposed non-Dyson scheme. The theoretical predictions for the single-hole ionic states due to outer valence shell ionisation agree satisfactorily with the experimental results. Ionisation from the inner valence 2t 2 and 3a 1 orbitals is strongly influenced by reorganisation effects and the intensity is spread amongst numerous satellites. Highly resolved spectra have been measured for the C∼2T2 and the D∼2A1 states, and the vibrational structure has been associated primarily with excitation of the ν1+(a1) mode. However, the analyses also provide evidence for excitation of the Jahn-Teller active ν2+(e) mode in the C∼2T2 state, and the ν3+(t2) mode in the D∼2A1 state. Excitation of this latter mode can be explained in terms of vibronic coupling between the C∼2T2 and the D∼2A1 states. Photoelectron angular distributions and branching ratios have been determined and demonstrate that shape resonances affect the outer valence shell photoionisation dynamics. The experimental results are compared with previous theoretical predictions but a consistent interpretation has not been obtained. The major difficulty concerns the uncertainty in the locations of valence shell transitions into the 5a 1 and the 5t 2 virtual orbitals
Holland, D. M. P.; Potts, A. W.; Trofimov, A. B.; Breidbach, J.; Schirmer, J.; Feifel, R.; Richter, T.; Godehusen, K.; Martins, M.; Tutay, A.; Yalcinkaya, M.; Al-Hada, M.; Eriksson, S.; Karlsson, L.
2005-01-01
The complete valence shell photoelectron spectrum of tetrafluoromethane has been recorded using synchrotron radiation and the observed structure has been interpreted using ionisation energies and relative spectral intensities computed using the third-order algebraic-diagrammatic-construction (ADC(3)) scheme for the one-particle Green's function and the outer valence Green's function (OVGF) method. The ADC(3) calculations were performed using both the original variant based on the Dyson equation and the recently proposed non-Dyson scheme. The theoretical predictions for the single-hole ionic states due to outer valence shell ionisation agree satisfactorily with the experimental results. Ionisation from the inner valence 2t 2 and 3a 1 orbitals is strongly influenced by reorganisation effects and the intensity is spread amongst numerous satellites. Highly resolved spectra have been measured for the C˜2T2 and the D˜2A1 states, and the vibrational structure has been associated primarily with excitation of the ν1+(a1) mode. However, the analyses also provide evidence for excitation of the Jahn-Teller active ν2+(e) mode in the C˜2T2 state, and the ν3+(t2) mode in the D˜2A1 state. Excitation of this latter mode can be explained in terms of vibronic coupling between the C˜2T2 and the D˜2A1 states. Photoelectron angular distributions and branching ratios have been determined and demonstrate that shape resonances affect the outer valence shell photoionisation dynamics. The experimental results are compared with previous theoretical predictions but a consistent interpretation has not been obtained. The major difficulty concerns the uncertainty in the locations of valence shell transitions into the 5a 1 and the 5t 2 virtual orbitals.
Modeling the Effect of Fluid-Structure Interaction on the Impact Dynamics of Pressurized Tank Cars
2009-11-13
This paper presents a computational framework that : analyzes the effect of fluid-structure interaction (FSI) on the : impact dynamics of pressurized commodity tank cars using the : nonlinear dynamic finite element code ABAQUS/Explicit. : There exist...
Dengue dynamics and vaccine cost-effectiveness in Brazil.
Durham, David P; Ndeffo Mbah, Martial L; Medlock, Jan; Luz, Paula M; Meyers, Lauren A; Paltiel, A David; Galvani, Alison P
2013-08-20
Recent Phase 2b dengue vaccine trials have demonstrated the safety of the vaccine and estimated the vaccine efficacy with further trials underway. In anticipation of vaccine roll-out, cost-effectiveness analysis of potential vaccination policies that quantify the dynamics of disease transmission are fundamental to the optimal allocation of available doses. We developed a dengue transmission and vaccination model and calculated, for a range of vaccination costs and willingness-to-pay thresholds, the level of vaccination coverage necessary to sustain herd-immunity, the price at which vaccination is cost-effective and is cost-saving, and the sensitivity of our results to parameter uncertainty. We compared two vaccine efficacy scenarios, one a more optimistic scenario and another based on the recent lower-than-expected efficacy from the latest clinical trials. We found that herd-immunity may be achieved by vaccinating 82% (95% CI 58-100%) of the population at a vaccine efficacy of 70%. At this efficacy, vaccination may be cost-effective for vaccination costs up to US$ 534 (95% CI $369-1008) per vaccinated individual and cost-saving up to $204 (95% CI $39-678). At the latest clinical trial estimates of an average of 30% vaccine efficacy, vaccination may be cost-effective and cost-saving at costs of up to $237 (95% CI $159-512) and $93 (95% CI $15-368), respectively. Our model provides an assessment of the cost-effectiveness of dengue vaccination in Brazil and incorporates the effect of herd immunity into dengue vaccination cost-effectiveness. Our results demonstrate that at the relatively low vaccine efficacy from the recent Phase 2b dengue vaccine trials, age-targeted vaccination may still be cost-effective provided the total vaccination cost is sufficiently low. Copyright © 2013 Elsevier Ltd. All rights reserved.
The effect of distribution of second phase on dynamic damage
Fensin, S. J.; Jones, D. R.; Walker, E. K.; Farrow, A.; Imhoff, S. D.; Clarke, K.; Trujillo, C. P.; Martinez, D. T.; Gray, G. T.; Cerreta, E. K.
2016-08-01
For ductile metals, dynamic fracture occurs principally through void nucleation, growth, and coalescence at heterogeneities in the microstructure. Previous experimental research on high purity metals has shown that microstructural features, such as grain boundaries, inclusions, vacancies, and heterogeneities, can act as initial void nucleation sites. In addition, other research on two-phase materials has also highlighted the importance of the properties of a second phase itself in determining the dynamic response of the overall material. However, previous research has not investigated the effects of the distribution of a second phase on damage nucleation and evolution. To approach this problem in a systematic manner, two copper alloys with 1% lead materials, with the same Pb concentration but different Pb distributions, have been investigated. A new CuPb alloy was cast with a more homogeneous distribution of Pb as compared to a CuPb where the Pb congregated in large "stringer" type configurations. These materials were shock loaded at ˜1.2 GPa and soft recovered. In-situ free surface velocity information, and post mortem metallography, reveals that even though the spall strength of both the materials were similar, the total extent and details of damage in the materials varied by 15%. This suggests that altering the distribution of Pb in the Cu matrix leads to the creation of more void nucleation sites and also changed the rate of void growth.
Effects of household dynamics on resource consumption and biodiversity.
Liu, Jianguo; Daily, Gretchen C; Ehrlich, Paul R; Luck, Gary W
2003-01-30
Human population size and growth rate are often considered important drivers of biodiversity loss, whereas household dynamics are usually neglected. Aggregate demographic statistics may mask substantial changes in the size and number of households, and their effects on biodiversity. Household dynamics influence per capita consumption and thus biodiversity through, for example, consumption of wood for fuel, habitat alteration for home building and associated activities, and greenhouse gas emissions. Here we report that growth in household numbers globally, and particularly in countries with biodiversity hotspots (areas rich in endemic species and threatened by human activities), was more rapid than aggregate population growth between 1985 and 2000. Even when population size declined, the number of households increased substantially. Had the average household size (that is, the number of occupants) remained static, there would have been 155 million fewer households in hotspot countries in 2000. Reduction in average household size alone will add a projected 233 million additional households to hotspot countries during the period 2000-15. Rapid increase in household numbers, often manifested as urban sprawl, and resultant higher per capita resource consumption in smaller households pose serious challenges to biodiversity conservation.
Solar Dynamics and Its Effects on the Heliosphere and Earth
Baker, D. N; Schwartz, S. J; Schwenn, R; Steiger, R
2007-01-01
The SOHO and Cluster missions form a single ESA cornerstone. Yet they observe very different regions in our solar system: the solar atmosphere on one hand and the Earth’s magnetosphere on the other. At the same time the Ulysses mission provides observations in the third dimension of the heliosphere, and many others add to the picture from the Lagrangian point L1 to the edge of the heliosphere. It is the aim of this ISSI volume to tie these observations together in addressing the topic of Solar Dynamics and its Effects on the Heliosphere and Earth, thus contributing to the International Living With a Star (ILWS) program. The volume starts out with an assessment and description of the reasons for solar dynamics and how it couples into the heliosphere. The three subsequent sections are each devoted to following one chain of events from the Sun all the way to the Earth’s magnetosphere and ionosphere: The normal solar wind chain, the chain associated with coronal mass ejections, and the solar energetic particl...
Effects of random noise in a dynamical model of love
International Nuclear Information System (INIS)
Xu Yong; Gu Rencai; Zhang Huiqing
2011-01-01
Highlights: → We model the complexity and unpredictability of psychology as Gaussian white noise. → The stochastic system of love is considered including bifurcation and chaos. → We show that noise can both suppress and induce chaos in dynamical models of love. - Abstract: This paper aims to investigate the stochastic model of love and the effects of random noise. We first revisit the deterministic model of love and some basic properties are presented such as: symmetry, dissipation, fixed points (equilibrium), chaotic behaviors and chaotic attractors. Then we construct a stochastic love-triangle model with parametric random excitation due to the complexity and unpredictability of the psychological system, where the randomness is modeled as the standard Gaussian noise. Stochastic dynamics under different three cases of 'Romeo's romantic style', are examined and two kinds of bifurcations versus the noise intensity parameter are observed by the criteria of changes of top Lyapunov exponent and shape of stationary probability density function (PDF) respectively. The phase portraits and time history are carried out to verify the proposed results, and the good agreement can be found. And also the dual roles of the random noise, namely suppressing and inducing chaos are revealed.
Effects of random noise in a dynamical model of love
Energy Technology Data Exchange (ETDEWEB)
Xu Yong, E-mail: hsux3@nwpu.edu.cn [Department of Applied Mathematics, Northwestern Polytechnical University, Xi' an 710072 (China); Gu Rencai; Zhang Huiqing [Department of Applied Mathematics, Northwestern Polytechnical University, Xi' an 710072 (China)
2011-07-15
Highlights: > We model the complexity and unpredictability of psychology as Gaussian white noise. > The stochastic system of love is considered including bifurcation and chaos. > We show that noise can both suppress and induce chaos in dynamical models of love. - Abstract: This paper aims to investigate the stochastic model of love and the effects of random noise. We first revisit the deterministic model of love and some basic properties are presented such as: symmetry, dissipation, fixed points (equilibrium), chaotic behaviors and chaotic attractors. Then we construct a stochastic love-triangle model with parametric random excitation due to the complexity and unpredictability of the psychological system, where the randomness is modeled as the standard Gaussian noise. Stochastic dynamics under different three cases of 'Romeo's romantic style', are examined and two kinds of bifurcations versus the noise intensity parameter are observed by the criteria of changes of top Lyapunov exponent and shape of stationary probability density function (PDF) respectively. The phase portraits and time history are carried out to verify the proposed results, and the good agreement can be found. And also the dual roles of the random noise, namely suppressing and inducing chaos are revealed.
Holographic Scaling and Dynamical Gauge Effects in Disordered Atomic Gases
Gemelke, Nathan
2016-05-01
Quantum systems with strong disorder, and those far from equilibrium or interacting with a thermal reservior, present unique challenges in a range of physical contexts, from non-relativistic condensed-matter settings, such as in study of localization phenomena, to relativistic cosmology and the study of fundamental interactions. Recently, two related concepts, that of the entropy of entanglement, and the controversial suggestion of entropic emergent gravity, have shed insight on several long-standing questions along these lines, suggesting that strongly disordered systems with causal barriers (either relativistic or those with Lieb-Robinson-like bounds) can be understood using holographic principles in combination with the equivalence between quantum vacuua thermal baths via the Unruh effect. I will discuss a range of experiments performed within a strong, topologically disordered medium for neutral atoms which simultaneously introduces quenched disorder for spin and mass transport, and provides simple mechanisms for open coupling to various types of dissipative baths. Under conditions in which a subset of quantum states are continuously decoupled from the thermal bath, dark state effects lead to slow light phenomena mimicking gravitational lensing in general relativity in a characterizable table-top disordered medium. Non-equilibrium steady-states are observed in direct analogy with the evaporation of gravitational singularities, and we observe scaling behaviors that can be directly connected to holographic measures of the information contained in disorder. Finally, I will show how a dynamic-gauge-field picture of this and similar systems can lead to a natural description of non-equilibrium and disordered phenomena, and how it provides some advantages over the Harris and Luck criteria for describing critical phenomena. Connections between out-of-equilibrium dynamics and some long-unresolved issues concerning the existence of a gauge-boson mass gap in certain Yang
Radiation Recoil Effects on the Dynamical Evolution of Asteroids
Cotto-Figueroa, Desiree
The Yarkovsky effect is a radiation recoil force that results in a semimajor axis drift in the orbit that can cause Main Belt asteroids to be delivered to powerful resonances from which they could be transported to Earth-crossing orbits. This force depends on the spin state of the object, which is modified by the YORP effect, a variation of the Yarkovsky effect that results in a torque that changes the spin rate and the obliquity. Extensive analyses of the basic behavior of the YORP effect have been previously conducted in the context of the classical spin state evolution of rigid bodies (YORP cycle). However, the YORP effect has an extreme sensitivity to the topography of the asteroids and a minor change in the shape of an aggregate asteroid can stochastically change the YORP torques. Here we present the results of the first simulations that self-consistently model the YORP effect on the spin states of dynamically evolving aggregates. For these simulations we have developed several algorithms and combined them with two codes, TACO and pkdgrav. TACO is a thermophysical asteroid code that models the surface of an asteroid using a triangular facet representation and which can compute the YORP torques. The code pkdgrav is a cosmological N-body tree code modified to simulate the dynamical evolution of asteroids represented as aggregates of spheres using gravity and collisions. The continuous changes in the shape of an aggregate result in a different evolution of the YORP torques and therefore aggregates do not evolve through the YORP cycle as a rigid body would. Instead of having a spin evolution ruled by long periods of rotational acceleration and deceleration as predicted by the classical YORP cycle, the YORP effect is self-limiting and stochastic on aggregate asteroids. We provide a statistical description of the spin state evolution which lays out the foundation for new simulations of a coupled Yarkovsky/YORP evolution. Both self-limiting YORP and to a lesser
Nanoscopic dynamics of bicontinous microemulsions: effect of membrane associated protein.
Sharma, V K; Hayes, Douglas G; Urban, Volker S; O'Neill, Hugh M; Tyagi, M; Mamontov, E
2017-07-19
Bicontinous microemulsions (BμE) generally consist of nanodomains formed by surfactant in a mixture of water and oil at nearly equal proportions and are potential candidates for the solubilization and purification of membrane proteins. Here we present the first time report of nanoscopic dynamics of surfactant monolayers within BμEs formed by the anionic surfactant sodium dodecyl sulfate (SDS) measured on the nanosecond to picosecond time scale using quasielastic neutron scattering (QENS). BμEs investigated herein consisted of middle phases isolated from Winsor-III microemulsion systems that were formed by mixing aqueous and oil solutions under optimal conditions. QENS data indicates that surfactants undergo two distinct motions, namely (i) lateral motion along the surface of the oil nanodomains and (ii) localized internal motion. Lateral motion can be described using a continuous diffusion model, from which the lateral diffusion coefficient is obtained. Internal motion of surfactant is described using a model which assumes that a fraction of the surfactants' hydrogens undergoes localized translational diffusion that could be considered confined within a spherical volume. The effect of cytochrome c, an archetypal membrane-associated protein known to strongly partition near the surfactant head groups in BμEs (a trend supported by small-angle X-ray scattering [SAXS] analysis), on the dynamics of BμE has also been investigated. QENS results demonstrated that cytochrome c significantly hindered both the lateral and the internal motions of surfactant. The lateral motion was more strongly affected: a reduction of the lateral diffusion coefficient by 33% was measured. This change is mainly attributable to the strong association of cytochrome c with oppositely charged SDS. In contrast, analysis of SAXS data suggested that thermal fluctuations (for a longer length and slower time scale compared to QENS) were increased upon incorporation of cytochrome c. This study
Effect of photonic band gap on entanglement dynamics of qubits
Wu, Jing-Nuo; Hsieh, Wen-Feng; Cheng, Szu-Cheng
2012-01-01
We study how the environment of photonic band gap (PBG) materials affects entanglement dynamics of qubits. Entanglement between the single qubit and the PBG environment is investigated through the von Neumann entropy while that for two initially entangled qubits in this PBG reservoir is through concurrence. Dynamics of these measurements are solved in use of the fractional calculus which has been shown appropriate for the systems with non-Markovian dynamics. Entropy dynamics of the single qub...
International Nuclear Information System (INIS)
Choudhury, Niharendu
2013-01-01
Highlights: • We present atomistic MD simulation of water confined between two paraffin-like plates. • Effect of plate hydrophobicity on the confined water dynamics is investigated. • Diffusivity of confined water is calculated from mean squared displacements. • Rotational dynamics of the confined water has bimodal nature of relaxation. • Monotonic dependence of translational and rotational dynamics on hydrophobicity. - Abstract: We present detailed molecular dynamics simulations of water in and around a pair of plates immersed in water to investigate the effect of degree of hydrophobicity or hydrophilicity of the plates on dynamics of water confined between the two plates. The nature of the plate has been tuned from hydrophobic to hydrophilic and vice versa by varying plate-water dispersion interaction. Analyses of the translational dynamics as performed by calculating mean squared displacements of the confined water reveal a monotonically decreasing trend of the diffusivity with increasing hydrophilicity of the plates. Orientational dynamics of the confined water also follows the same monotonic trend. Although orientational time constant almost does not change with the increase of plate-water dispersion interaction in the hydrophobic regime corresponding to the smaller plate-water attraction, it changes considerably in the hydrophilic regime corresponding to larger plate-water dispersion interactions
A Contribution to Documenting and Validating Dynamic Interaction Effects
DEFF Research Database (Denmark)
Pedersen, Lars
2007-01-01
, e.g. humans sitting or standing on the structure, interact dynamically with the structure in a passive sense and this crowd influences the dynamic characteristics of the structure such as its damping capacity. The paper looks into the dynamic interaction between the passive (stationary) crowd...
Goodman, Lawrence E
2001-01-01
Beginning text presents complete theoretical treatment of mechanical model systems and deals with technological applications. Topics include introduction to calculus of vectors, particle motion, dynamics of particle systems and plane rigid bodies, technical applications in plane motions, theory of mechanical vibrations, and more. Exercises and answers appear in each chapter.
Dynamic behavior of a multi-effect sugar concentrator system
International Nuclear Information System (INIS)
Aly, N.H.; Marwan, M.A.
1994-01-01
A transient mathematical model is developed to simulate the dynamic response of multi effect evaporator for sugar distiller concentrators at delta company, Egypt. Based on the mass and energy balance equations, a non linear mathematical model relating the system variables is obtained. This model allows to investigate the response of the unit parameters in both steady state and transient operating condition. Also, the response of the unit to perturbations in feed syrup, flow rate, concentration and heating steam temperature is studied. The predicted response based on the solution of the mathematical model is illustrated. The developed model proved to be efficient and capable to predict different operating conditions at steady state or transients variations. The study shows that an increase in heating steam temperature can be a critical factor due to caramelization of the syrup. 1 tab., 10 fig
Dynamics of the anaerobic process: Effects of volatile fatty acids
DEFF Research Database (Denmark)
Pind, Peter Frode; Angelidaki, Irini; Ahring, Birgitte Kiær
2003-01-01
A complex and fast dynamic response of the anaerobic biogas system was observed when the system was subjected to pulses of volatile fatty acids (VFAs). It was shown that a pulse of specific VFAs into a well-functioning continuous stirred tank reactor (CSTR) system operating on cow manure affected...... effect on process yield and the levels of all VFA were shown to stabilize at a lower level after the biomass had been subjected to several pulses. The response to pulses of propionate or acetate was different from the response to butyrate, iso-butyrate, valerate, or iso-valerate. High concentrations...... of propionate affected the degradation of all VFAs, while a pulse of acetate affected primarily the degradation of iso-valerate or 2-methylbutyrate. Pulses of n-butyrate, iso-butyrate, and iso-valerate yielded only acetate, while degradation of n-valerate gave both propionate and acetate. Product sensitivity...
Illuminating the Effects of Dynamic Lighting on Student Learning
Directory of Open Access Journals (Sweden)
Michael S. Mott
2012-05-01
Full Text Available Light is universally understood as essential to the human condition. Yet light quality varies substantially in nature and in controlled environments leading to questions of which artificial light characteristics facilitate maximum learning. Recent research has examined lighting variables of color temperature, and illumination for affecting sleep, mood, focus, motivation, concentration, and work and school performance. This has resulted in artificial light systems intended to support human beings in their actualization through dynamic lighting technology allowing for different lighting conditions per task. A total of 84 third graders were exposed to either focus (6000K-100fc average maintained or normal lighting. Focus lighting led to a higher percentage increase in oral reading fluency performance (36% than did control lighting (17%. No lighting effects were found for motivation or concentration, possibly attributable to the younger age level of respondents as compared with European studies. These findings illuminate the need for further research on artificial light and learning.
Posokhov, Yevgen O; Kyrychenko, Alexander
2013-10-01
The modulation of the properties and function of cell membranes by small volatile substances is important for many biomedical applications. Despite available experimental results, molecular mechanisms of action of inhalants and organic solvents, such as acetone, on lipid membranes remain not well understood. To gain a better understanding of how acetone interacts with membranes, we have performed a series of molecular dynamics (MD) simulations of a POPC bilayer in aqueous solution in the presence of acetone, whose concentration was varied from 2.8 to 11.2 mol%. The MD simulations of passive distribution of acetone between a bulk water phase and a lipid bilayer show that acetone favors partitioning into the water-free region of the bilayer, located near the carbonyl groups of the phospholipids and at the beginning of the hydrocarbon core of the lipid membrane. Using MD umbrella sampling, we found that the permeability barrier of ~0.5 kcal/mol exists for acetone partitioning into the membrane. In addition, a Gibbs free energy profile of the acetone penetration across a bilayer demonstrates a favorable potential energy well of -3.6 kcal/mol, located at 15-16Å from the bilayer center. The analysis of the structural and dynamics properties of the model membrane revealed that the POPC bilayer can tolerate the presence of acetone in the concentration range of 2.8-5.6 mol%. The accumulation of the higher acetone concentration of 11.2 mol% results, however, in drastic disordering of phospholipid packing and the increase in the membrane fluidity. The acetone molecules push the lipid heads apart and, hence, act as spacers in the headgroup region. This effect leads to the increase in the average headgroup area per molecule. In addition, the acyl tail region of the membrane also becomes less dense. We suggest, therefore, that the molecular mechanism of acetone action on the phospholipid bilayer has many common features with the effects of short chain alcohols, DMSO, and
Thermal effects in the dynamics of disordered elastic systems
Energy Technology Data Exchange (ETDEWEB)
Bustingorry, S.; Kolton, A.B. [Centro Atomico Bariloche, 8400 S.C. de Bariloche (Argentina); Rosso, A. [CNRS, LPTMS, Univ. Paris-Sud, UMR 8626, Orsay Cedex F-91405 (France); Krauth, W. [CNRS-Laboratoire de Physique Statistique, Ecole Normale Superieure, 24 rue Lhomond, 75231 Paris Cedex 05 (France); Giamarchi, T. [DPMC-MaNEP, University of Geneva, 24 Quai Ernest Ansermet, 1211 Geneva 4 (Switzerland)], E-mail: Thierry.Giamarchi@physics.unige.ch
2009-03-01
Many seemingly different macroscopic systems (magnets, ferroelectrics, CDW, vortices, etc.) can be described as generic disordered elastic systems. Understanding their static and dynamics thus poses challenging problems both from the point of view of fundamental physics and of practical applications. Despite important progress many questions remain open. In particular the temperature has drastic effects on the way these systems respond to an external force. We address here the important question of the thermal effect close to depinning, and whether these effects can be understood in the analogy with standard critical phenomena, analogy so useful to understand the zero temperature case. We show that close to the depinning force temperature leads to a rounding of the depinning transition and compute the corresponding exponent. In addition, using a novel algorithm it is possible to study precisely the behavior close to depinning, and to show that the commonly accepted analogy of the depinning with a critical phenomenon does not fully hold, since no divergent lengthscale exists in the steady state properties of the line below the depinning threshold.
AN EFFECTIVE SPAM FILTERING FOR DYNAMIC MAIL MANAGEMENT SYSTEM
Directory of Open Access Journals (Sweden)
S. Arun Mozhi Selvi
2012-04-01
Full Text Available Spam is commonly defined as unsolicited email messages and the goal of spam categorization is to distinguish between spam and legitimate email messages. The economics of spam details that the spammer has to target several recipients with identical and similar email messages. As a result a dynamic knowledge sharing effective defense against a substantial fraction of spam has to be designed which can alternate the burdens of frequent training stand alone spam filter. A weighted email attribute based classification is proposed to mainly focus to encounter the issues in normal email system. These type of classification helps to formulate an effective utilization of our email system by combining the concepts of Bayesian Spam Filtering Algorithm, Iterative Dichotmiser 3(ID3 Algorithm and Bloom Filter. The details captured by the system are processed to track the original sender causing disturbances and prefer them to block further mails from them. We have tested the effectiveness of our scheme by collecting offline data from Yahoo mail & Gmail dumps. This proposal is implemented using .net and sample user-Id for knowledge base.
Effects of light dynamics on coral spawning synchrony.
Boch, Charles A; Ananthasubramaniam, Bharath; Sweeney, Alison M; Doyle, Francis J; Morse, Daniel E
2011-06-01
Synchrony of spawning in many hermatypic corals, typically a few nights after the full moon, is putatively dependent on solar and lunar light cycles in conjunction with other possible cues such as tides and temperature. We analyze here the contributions of separate components of light dynamics, because the effects of twilight and lunar skylight on coral spawning synchrony have previously been conflated and the alternative hypothesis that these components have differential contributions as proximate cues has not been tested. Moonlight-dependent changes in spectra during twilight, rates of decreasing twilight intensities, and changes in lunar photoperiod were experimentally decoupled using programmed light-emitting diodes and compared for their separate effects on spawning synchrony in Acropora humilis. Effects on synchrony under the control of synthetic lunar cues were greatest in response to changes in lunar photoperiod; changes in light intensities and spectra had lesser influence. No significant differences among treatment responses were found at the circa-diel time scale. We conclude that spawning synchrony on a particular lunar night and specific time of night is a threshold response to differential periods of darkness after twilight that is primarily influenced by lunar photoperiod and secondarily by discrete optical components of early nocturnal illumination.
Dynamical quantum Hall effect in the parameter space.
Gritsev, V; Polkovnikov, A
2012-04-24
Geometric phases in quantum mechanics play an extraordinary role in broadening our understanding of fundamental significance of geometry in nature. One of the best known examples is the Berry phase [M.V. Berry (1984), Proc. Royal. Soc. London A, 392:45], which naturally emerges in quantum adiabatic evolution. So far the applicability and measurements of the Berry phase were mostly limited to systems of weakly interacting quasi-particles, where interference experiments are feasible. Here we show how one can go beyond this limitation and observe the Berry curvature, and hence the Berry phase, in generic systems as a nonadiabatic response of physical observables to the rate of change of an external parameter. These results can be interpreted as a dynamical quantum Hall effect in a parameter space. The conventional quantum Hall effect is a particular example of the general relation if one views the electric field as a rate of change of the vector potential. We illustrate our findings by analyzing the response of interacting spin chains to a rotating magnetic field. We observe the quantization of this response, which we term the rotational quantum Hall effect.
International Nuclear Information System (INIS)
1981-01-01
Progress is reported on experiments aimed at the measurement of the Hall mobility of injected electrons in classical non polar insulating liquids and the optical absorption associated with electrons captured by shallow traps in the liquefied rare gases. Theoretical work aimed at a better understanding of the trapping kinetics of electrons by SF 6 and O 2 dissolved in rare gas liquids was also carried out. Its conclusion is that the electric field dependence of the trapping probability can be explained, basically without adjustable parameters, by considering the Poole-Frenkel-Schotky ionization of the excited state of the traps. From the analysis of published data on the motion of electrons in liquid ethane it is tentatively concluded that at low temperatures the trapping of electrons in the liquid involves a Jahn-Teller like distortion of a single ethane molecule while at higher temperatures it is necessary to consider a small molecular cluster, possibly made up of 2 molecules
Effect of electrostatic field on dynamic friction coefficient of pistachio
Directory of Open Access Journals (Sweden)
M. H Aghkhani
2016-04-01
Full Text Available Introduction: Separation and grading of agricultural products from the production to supply, has notable importance. The separation can be done based on physical, electrical, magnetic, optical properties and etc. It is necessary for any development of new systems to study enough on the properties and behavior of agricultural products. Some characteristics for separation are size (length, width and thickness, hardness, shape, density, surface roughness, color, speed limit, aerodynamic properties, electrical conductivity, elasticity and coefficient of static friction point. So far, the friction properties of agricultural products used in the separating process, but the effect of electrostatic charging on static and dynamic coefficients of friction for separation had little attention. The aim of this study was to find out the interactions between electrostatic and friction properties to find a way to separate products that separation is not possible with conventional methods or not sufficiently accurate. In this paper, the separation of close and smiley pistachios by electrostatic charging was investigated. Materials and Methods: Kallehghoochi pistachio cultivar has the top rank in production in Iran. Therefore, it was used as a sample. The experimental design that used in this study, had moisture content at three levels (24.2, 14.5 and 8.1 percent, electric field intensity at three levels (zero, 4000 and 7000 V, speed of movement on the surface at three levels (1300, 2500 and 3300 mm per minute, friction surface (galvanized sheet iron, aluminum and flat rubber and pistachio type at two levels (filled splits and closed that was measured and analyzed in completely randomized factorial design. A friction measuring device (built in Ferdowsi University of Mashhad used to measure the friction force. It has a removable table that can move in two directions with adjustable speed. The test sample put into the vessel with internal dimensions of 300 × 150
Situational effects of the school factors included in the dynamic model of educational effectiveness
Creerners, Bert; Kyriakides, Leonidas
We present results of a longitudinal study in which 50 schools, 113 classes and 2,542 Cypriot primary students participated. We tested the validity of the dynamic model of educational effectiveness and especially its assumption that the impact of school factors depends on the current situation of
Effect of testing position on dynamic visual acuity.
Danenbaum, Elizabeth; Chilingaryan, Gevorg; Fung, Joyce
2008-12-01
To investigate the effect of altering testing position on dynamic visual acuity (DVA) in vestibulopathic adults. Quasiexperimental research. Outpatient vestibular program. Twelve vestibulopathic adults with impaired DVA in the sitting position. DVA scores were collected during (1) sitting, (2) standing comfortably, and (3) semitandem standing as subjects viewed a vision (E) chart 3.48 m in front of them. DVA was obtained as the head was passively moved by the evaluator at a frequency of 1.5 Hz in both horizontal and vertical directions. A further subgroup of subjects (n=5) was retested after performing the "viewing x1" gaze stability home exercise four times daily (1 minute duration in the horizontal direction while sitting) for 2 months. Noncomputerized DVA score. The DVA score remained constant independent of testing position as the Friedman test did not reveal any significant differences in the DVA scores in the horizontal or vertical direction. Subjects who improved after performing the viewing x1 exercise in the horizontal direction in the sitting position tended to have the same improvement in DVA in all three positions. The results of this study show that DVA score is independent of testing position. This is clinically important since it shows that the results of DVA testing in one position are valid for other positions and that subjects can be trained to improve their DVA in a sitting posture while having carry-over effects to other, more challenging postures.
Dynamic Modeling of Cost-effectiveness of Rotavirus Vaccination, Kazakhstan
Flem, Elmira; Latipov, Renat; Kuatbaeva, Ajnagul; Kristiansen, Ivar Sønbø
2014-01-01
The government of Kazakhstan, a middle-income country in Central Asia, is considering the introduction of rotavirus vaccination into its national immunization program. We performed a cost-effectiveness analysis of rotavirus vaccination spanning 20 years by using a synthesis of dynamic transmission models accounting for herd protection. We found that a vaccination program with 90% coverage would prevent ≈880 rotavirus deaths and save an average of 54,784 life-years for children <5 years of age. Indirect protection accounted for 40% and 60% reduction in severe and mild rotavirus gastroenteritis, respectively. Cost per life year gained was US $18,044 from a societal perspective and US $23,892 from a health care perspective. Comparing the 2 key parameters of cost-effectiveness, mortality rates and vaccine cost at
Mean, covariance, and effective dimension of stochastic distributed delay dynamics
René, Alexandre; Longtin, André
2017-11-01
Dynamical models are often required to incorporate both delays and noise. However, the inherently infinite-dimensional nature of delay equations makes formal solutions to stochastic delay differential equations (SDDEs) challenging. Here, we present an approach, similar in spirit to the analysis of functional differential equations, but based on finite-dimensional matrix operators. This results in a method for obtaining both transient and stationary solutions that is directly amenable to computation, and applicable to first order differential systems with either discrete or distributed delays. With fewer assumptions on the system's parameters than other current solution methods and no need to be near a bifurcation, we decompose the solution to a linear SDDE with arbitrary distributed delays into natural modes, in effect the eigenfunctions of the differential operator, and show that relatively few modes can suffice to approximate the probability density of solutions. Thus, we are led to conclude that noise makes these SDDEs effectively low dimensional, which opens the possibility of practical definitions of probability densities over their solution space.
Dynamics of the edge excitations in the FQH effects
International Nuclear Information System (INIS)
Wen, X.G.
1994-01-01
Fractional quantum Hall effects (FQHE) discovered by Tsui, Stormer and Gossard open a new era in theory of strongly correlated system. In the first time the authors have to completely abandon the theories based on the single-body picture and use an intrinsic many-body theory proposed by Laughlin and others to describe the FQHE. Due to the repulsive interaction, the strongly correlated FQH liquid is an incompressible state despite the first Landau level is only partially filled. All the bulk excitations in the FQH states have finite energy gaps. The FQH states and insulators are similar in the sense that both states have finite energy gap and short ranged electron propagators. Because of this similarity, it is puzzling that the FQH systems apparently have very different transport properties than ordinary insulators. Halperin first point out that the integral quantum Hall (IQH) states contain gapless edge excitations. Although the electronic states in the bulk are localized, the electronic states at the edge of the sample are extended. Therefore the nontrivial transport properties of the IQH states come from the gapless edge excitations. Such an edge transport picture has been supported by many experiments. One also found that the edge excitations in the IQH states are described by a chiral 1D Fermi liquid theory. Here, the authors review the dynamical theory of the edge excitations in the FQH effects
Situational effects of the school factors included in the dynamic model of educational effectiveness
Directory of Open Access Journals (Sweden)
Bert Creemers
2009-08-01
Full Text Available We present results of a longitudinal study in which 50 schools, 113 classes and 2,542 Cypriot primary students participated. We tested the validity of the dynamic model of educational effectiveness and especially its assumption that the impact of school factors depends on the current situation of the school and on the type of problems/difficulties the school is facing. Reference is made to the methods used to test this assumption of the dynamic model by measuring school effectiveness in mathematics, Greek language, and religious education over two consecutive school years. The main findings are as follows. School factors were found to have situational effects. Specifically, the development of a school policy for teaching and the school evaluation of policy for teaching were found to have stronger effects in schools where the quality of teaching at classroom level was low. Moreover, time stability in the effectiveness status of schools was identified and thereby changes in the functioning of schools were found not to have a significant impact on changes in the effectiveness status of schools. Implications of the findings for the development of the dynamic model and suggestions for further research are presented.
Granular Dilatancy and its Effect on Debris-flow Dynamics
Iverson, R. M.; George, D. L.
2012-12-01
Landslides and debris flows commonly exhibit the effects of variable granular dilatancy, but incorporation of these effects in predictive models of debris-flow dynamics has been lacking. We have developed a depth-averaged model of debris-flow initiation and motion that includes the effects of variable dilatancy without stipulating its influence on rheology. Instead, the apparent rheology of Coulomb-frictional debris evolves during coupled evolution of the grain concentration m, basal pore-fluid pressure, flow thickness, and flow velocity. The dilatancy angle ψ plays an intermediary role in this evolution and obeys the simple relationship tan ψ = m-meq, where meq is the grain concentration in equilibrium with the ambient stress state and flow rate. Results of recent stress-controlled rheometric experiments by Boyer et al. (DOI: 10.1103/PhysRevLett.107.188301) provide our basis for estimating meq. Relaxation of m toward meq, coupled with evolution of pore pressure, allows our model to simulate a smooth transition from static limiting equilibrium of slopes to disequilibrium flow dynamics. Use of variable friction coefficients or dam-break initial conditions is unnecessary. We have evaluated predictions of our model in three ways: (1) by examining physical implications of exact solutions of simplified model equations, (2) by comparing numerical solutions with results of controlled experiments at the USGS debris-flow flume, and (3) by comparing numerical predictions with the behavior of a large (~50 million m3) debris flow that occurred at Mt. Meager, British Columbia, in 2010. Model predictions depend mostly on initial conditions, flow-path topography, and the value of a single dimensionless parameter that represents the ratio of two key timescales. One timescale governs downslope, gravity-driven motion of debris, and the other governs pore-pressure diffusion. Values of these timescales are readily calculated from source-area geometry and standard geotechnical
Modeling Unsteady Cavitation Effects and Dynamic Loads in Cryogenic Systems, Phase II
National Aeronautics and Space Administration — There currently are no analytical or CFD tools that can reliably predict unsteady cavitation dynamics in liquid rocket turbopumps. Cavitation effects, particularly...
Dynamical effect of confining wall on diffusion of fluid at nanoscale
International Nuclear Information System (INIS)
Devi, Reena; Srivastava, Sunita; Tankeshwar, K.
2016-01-01
The dynamical effect of wall-fluid interaction on diffusion in direction perpendicular to confining walls has been studied, theoretically. The properties of fluids which incorporates the effect of static changes in confined fluid has been modified to include, directly, the dynamical effects of wall on the motion of particles. The results obtained for VACF in perpendicular direction of channel of width of two atomic diameters are presented and compared with the molecular dynamic (MD) simulation results as well as the results obtained without including the dynamical effect.
Fitriani, Rahma; Sumarminingsih, Eni; Astutik, Suci
2017-05-01
Land value is the product of past decision of its use leading to its value, as well as the value of the surrounded land. It is also affected by the local characteristic and the spillover development demand of the previous time period. The effect of each factor on land value will have dynamic and spatial virtues. Thus, a spatial panel dynamic model is used to estimate the particular effects. The model will be useful for predicting the future land value or the effect of implemented policy on land value. The objective of this paper is to derive the dynamic and indirect spatial marginal effects of the land characteristic and the spillover development demand on land value. Each effect is the partial derivative of the expected land value based on the spatial dynamic model with respect to each variable, by considering different time period and different location. The results indicate that the instant change of local or neighborhood characteristics on land value affect the local and the immediate neighborhood land value. However, the longer the change take place, the effect will spread further, not only on the immediate neighborhood.
Using the Panel Study of Income Dynamics To Analyze Housing Decisions, Dynamics, and Effects.
McGonagle, Katherine; Sastry, Narayan
The Panel Study of Income Dynamics (PSID) is the world's longest running household panel survey. It started in 1968 and has followed the same families-and their descendants-for nearly 50 years. PSID was conducted annually from 1968 through 1997 and has been conducted biennially since 1997. As of 2015, 39 waves of data have been collected. In 2015, interviews were completed with more than 9,000 households and information was collected on about 25,000 household members. PSID has achieved high wave-to-wave response rates throughout most of its history. Since the beginning of the study, detailed information has been collected on family composition, income, assets and debt, public program participation, and housing. At the beginning of the recent housing crisis, PSID began collecting information about mortgage distress and foreclosure activity. PSID currently includes several major supplemental studies. The Child Development Supplement and the Transition into Adulthood Supplement collect detailed information about behavior and outcomes among children and young adults in PSID families, such as educational achievement, health, time use, family formation, and housing-related decisions among young adults. PSID data are publicly available free of charge to researchers; some data available only under contract to qualified researchers allow linkage with various administrative databases and include information such as census tract and block of residence that can be used to describe neighborhood characteristics. PSID data have been widely used to study topics of major interest to Cityscape readers, including housing decisionmaking, housing expenditures and financing, residential mobility and migration, and the effects of neighborhood characteristics on a variety of measures of child and family well-being. This article provides an overview of PSID and its housing- and neighborhood-related measures. We briefly describe studies using PSID on housing-related topics. Finally, we
Effects of barrier fluctuation on the tunneling dynamics in the ...
Indian Academy of Sciences (India)
Abstract. We present a numerical investigation of the tunneling dynamics of a particle moving in a bistable potential with fluctuating barrier which is coupled to a non-integrable classical system and study the interplay between classical chaos and barrier fluctuation in the tunneling dynamics. We found that the coupling of the ...
The effects of spatial dynamics on a wormhole throat
Alias, Anuar; Wan Abdullah, Wan Ahmad Tajuddin
2018-02-01
Previous studies on dynamic wormholes were focused on the dynamics of the wormhole itself, be it either rotating or evolutionary in character and also in various frameworks from classical to braneworld cosmological models. In this work, we modeled a dynamic factor that represents the spatial dynamics in terms of spacetime expansion and contraction surrounding the wormhole itself. Using an RS2-based braneworld cosmological model, we modified the spacetime metric of Wong and subsequently employed the method of Bronnikov, where it is observed that a traversable wormhole is easier to exist in an expanding brane universe, however it is difficult to exist in a contracting brane universe due to stress-energy tensors requirement. This model of spatial dynamic factor affecting the wormhole throat can also be applied on the cyclic or the bounce universe model.
Bearing problems’ effects on the dynamic performance of pumping stations
Directory of Open Access Journals (Sweden)
Mostafa A. Abu-Zeid
2013-09-01
Pumping stations use large number of bearings with different types and applications. These bearings have a clear effect on the performance and efficiency of the pumps. Pump bearings in the arid regions are greatly affected by temperature, water quality, lubricants, and maintenance operations. This research focuses on analysis of damaged rolling element bearings of pumping system. The objective of the research is to enhance and control dynamic performance of pumping stations by avoiding damage and failure of bearings. The research proves that damaged bearings generate periodic, non-periodic, and transient forces causing high amplitude of vibration at high frequencies and increasing energy consumption. Bearing faults increase vibration level 85%, where power consumption increases 14% and pump efficiency decreases 18%. It is very important to take care of bearings during installation, alignment, balancing, and maintenance to assure safe and efficient pump operation for long period. As pump efficiency decreases, water power decreases and/or consumed power increases affecting water distribution and management system. Bearing faults break pumping system for long period affecting irrigation system. Optimum operation of pumping stations helps to save and manage water requirement for development and extension projects in arid regions. The measurements are performed on full scale model in the field, which proves reliable results on similar pumping stations.
The effect of ongoing exposure dynamics in dose response relationships.
Directory of Open Access Journals (Sweden)
Josep M Pujol
2009-06-01
Full Text Available Characterizing infectivity as a function of pathogen dose is integral to microbial risk assessment. Dose-response experiments usually administer doses to subjects at one time. Phenomenological models of the resulting data, such as the exponential and the Beta-Poisson models, ignore dose timing and assume independent risks from each pathogen. Real world exposure to pathogens, however, is a sequence of discrete events where concurrent or prior pathogen arrival affects the capacity of immune effectors to engage and kill newly arriving pathogens. We model immune effector and pathogen interactions during the period before infection becomes established in order to capture the dynamics generating dose timing effects. Model analysis reveals an inverse relationship between the time over which exposures accumulate and the risk of infection. Data from one time dose experiments will thus overestimate per pathogen infection risks of real world exposures. For instance, fitting our model to one time dosing data reveals a risk of 0.66 from 313 Cryptosporidium parvum pathogens. When the temporal exposure window is increased 100-fold using the same parameters fitted by our model to the one time dose data, the risk of infection is reduced to 0.09. Confirmation of this risk prediction requires data from experiments administering doses with different timings. Our model demonstrates that dose timing could markedly alter the risks generated by airborne versus fomite transmitted pathogens.
Nonlinear dynamics of wind waves: multifractal phase/time effects
Directory of Open Access Journals (Sweden)
R. H. Mellen
1994-01-01
Full Text Available In addition to the bispectral coherence method, phase/time analysis of analytic signals is another promising avenue for the investigation of phase effects in wind waves. Frequency spectra of phase fluctuations obtained from both sea and laboratory experiments follow an F-β power law over several decades, suggesting that a fractal description is appropriate. However, many similar natural phenomena have been shown to be multifractal. Universal multifractals are quantified by two additional parameters: the Lévy index 0 α 2 for the type of multifractal and the co-dimension 0 C1 1 for intermittence. The three parameters are a full statistical measure the nonlinear dynamics. Analysis of laboratory flume data is reported here and the results indicate that the phase fluctuations are 'hard multifractal' (α > 1. The actual estimate is close to the limiting value α = 2, which is consistent with Kolmogorov's lognormal model for turbulent fluctuations. Implications for radar and sonar backscattering from the sea surface are briefly considered.
Scaling laws and memory effects in the dynamics of liquids and proteins
International Nuclear Information System (INIS)
Kneller, G.R.; Hinsen, K.; Sutmann, G.; Calandrini, V.
2008-01-01
Recent progress in the numerical calculation of memory functions from molecular dynamics simulations allowed gaining a deeper insight into the relaxation dynamics of liquids and proteins. The concept of memory functions goes back to the work of R. Zwanzig on the generalized Langevin equation, and it was the basis for the development of various dynamical models for liquids. We present briefly a method for the numerical calculation of memory functions, which is then applied to study their scaling behavior in normal and fractional Brownian dynamics. It has been shown recently that the model of fractional Brownian dynamics constitutes effectively a link between protein dynamics on the nanosecond time scale, which is accessible to molecular dynamics simulations and thermal neutron scattering, and the much longer time scale of functional protein dynamics, which can be studied by fluorescence correlation spectroscopy
DEFF Research Database (Denmark)
Held, Magnus; Wiesenberger, M.; Madsen, Jens
2016-01-01
Thermal effects on the perpendicular convection of seeded pressure blobs in the scrape-off layer of magnetised fusion plasmas are investigated. Our numerical study is based on a four field full-F gyrofluid model, which entails the consistent description of high fluctuation amplitudes and dynamic...
The Effects of Propellant Slosh Dynamics on the Solar Dynamics Observatory
Mason, Paul; Starin, Scott R.
2011-01-01
The Solar Dynamics Observatory (SDO) mission, which is part of the Living With a Star program, was successfully launched and deployed from its Atlas V launch vehicle on February 11, 2010. SDO is an Explorer-class mission now operating in a geosynchronous orbit (GEO). The basic mission is to observe the Sun for a very high percentage of the 5-year mission (10-year goal) with long stretches of uninterrupted observations and with constant, high-data-rate transmission to a dedicated ground station located in White Sands, New Mexico. A significant portion of SDO's launch mass was propellant, contained in two large tanks. To ensure performance with this level of propellant, a slosh analysis was performed. This paper provides an overview of the SDO slosh analysis, the on-orbit experience, and the lessons learned. SDO is a three-axis controlled, single fault tolerant spacecraft. The attitude sensor complement includes sixteen coarse Sun sensors, a digital Sun sensor, three two-axis inertial reference units, two star trackers, and four guide telescopes. Attitude actuation is performed either using four reaction wheels or eight thrusters, depending on the control mode, along with single main engine which nominally provides velocity-change thrust. The attitude control software has five nominal control modes: three wheel-based modes and two thruster-based modes. A wheel-based Safehold running in the Attitude Control Electronics (ACE) box improves the robustness of the system as a whole. All six modes are designed on the same basic proportional-integral-derivative attitude error structure, with more robust modes setting their integral gains to zero. To achieve and maintain a geosynchronous orbit for a 2974-kilogram spacecraft in a cost effective manner, the SDO team designed a high-efficiency propulsive system. This bi-propellant design includes a 100-pound-force main engine and eight 5-pound-force attitude control thrusters. The main engine provides high specific impulse for
Effects of temperature on bridge dynamic properties : final report.
2015-12-01
Structural health monitoring (SHM) using ambient vibration has become a valuable tool in : evaluating and assessing the condition of civil structures. For bridge structures, a vibrationbased : SHM system uses the dynamic response of a bridge to measu...
Behaviour of steel arch supports under dynamic effects of rockbursts
Czech Academy of Sciences Publication Activity Database
Horyl, P.; Šňupárek, Richard
2007-01-01
Roč. 116, č. 3 (2007), s. 119-128 ISSN 0371-7844 Institutional research plan: CEZ:AV0Z30860518 Keywords : steel arch support * rockbursts * dynamic loading Subject RIV: DH - Mining , incl. Coal Mining
Qudrat-Ullah, Hassan
2010-01-01
The use of simulations in general and of system dynamics simulation based interactive learning environments (SDILEs) in particular is well recognized as an effective way of improving users' decision making and learning in complex, dynamic tasks. However, the effectiveness of SDILEs in classrooms has rarely been evaluated. This article describes…
Effects of outer perturbances on dynamics of wake vortices
International Nuclear Information System (INIS)
Baranov, N.A.; Belotserkovsky, A.S.; Turchak, L.I.
2004-01-01
One of the problems in aircraft flight safety is reduction of the risk related with aircraft encounter with wake vortices generated by other aircraft. An efficient approach to this problem is design of systems providing information on areas of potential danger of wake vortices to pilots in real time. The main components of such a system are a unit for calculations of wake vortices behind aircraft and a unit for calculations of areas of potential danger. A promising way to development of real time algorithms for calculation of wake vortices is the use of vortex methods in CFD based on the hypothesis of quasi-3D flow in the area of wake vorticity. The mathematical model developed by our team calculates positions and intensity of wake vortices past aircraft taking account of such effects as viscous dissipation of vortices, effects of ambient turbulence, wind shear, as well as viscous interaction between wake vortices and the underlying surface. The necessity of including the last factor could be stems from the fact that in the case where wake vortices are in close proximity of the rigid surface, the viscous interaction between the wake vortices and the surface boundary layer results in the boundary layer separation changing the overall intensity and dynamics of the wake vortices. To evaluate the boundaries of the danger areas the authors use an approach based on calculation of additional aerodynamic forces and moments acting on the aircraft encountering wake vortices by means of evaluation of the aircraft additional velocities and angular rates corresponding to distribution of disturbed velocities on the aircraft surface. These criteria could be based on local characteristics of the vorticity areas or on characteristics related to the perturbation effects on the aircraft. The latter characteristics include the actual aerodynamic roll moment, the maximum angular rate or the maximum roll of the aircraft under perturbations in the wake vortices. To estimate the accuracy
Finite size effects in lattice QCD with dynamical Wilson fermions
Energy Technology Data Exchange (ETDEWEB)
Orth, B.
2004-06-01
Due to limited computing resources choosing the parameters for a full lattice QCD simulation always amounts to a compromise between the competing objectives of a lattice spacing as small, quarks as light, and a volume as large as possible. Aiming at pushing unquenched simulations with the standard Wilson action towards the computationally expensive regime of small quark masses, the GRAL project addresses the question whether computing time can be saved by sticking to lattices with rather modest numbers of grid sites and extrapolating the finite-volume results to the infinite volume (prior to the usual chiral and continuum extrapolations). In this context we investigate in this work finite-size effects in simulated light hadron masses. Understanding their systematic volume dependence may not only help saving computer time in light quark simulations with the Wilson action, but also guide future simulations with dynamical chiral fermions which for a foreseeable time will be restricted to rather small lattices. We analyze data from hybrid Monte Carlo simulations with the N{sub f} = 2 Wilson action at two values of the coupling parameter, {beta} = 5.6 (lattice spacing {alpha} {approx} 0.08 fm) and {beta} = 5.32144 ({alpha} {approx} 0.13 fm). The larger {beta} corresponds to the coupling used previously by SESAM/T{chi}L. The considered hopping parameters {kappa} = 0.1575, 0.158 (at the larger {beta}) and {kappa} = 0.1665 (at the smaller {beta}) correspond to quark masses of 85, 50 and 36% of the strange quark mass, respectively. At each quark mass we study at least three different lattice extents in the range from L = 10 to L = 24 (0.85-2.04 fm). Estimates of autocorrelation times in the stochastic updating process and of the computational cost of every run are given. For each simulated sea quark mass we calculate quark propagators and hadronic correlation functions in order to extract the pion, rho and nucleon masses as well as the pion decay constant and the quark mass
Solar Geoengineering Effects on Stratospheric Dynamics, QBO and Transport
Niemeier, U.
2016-12-01
Our research aims at a better understanding of effectiveness and risks of solar radiation management (SRM) methods and on the question what climate they would produce. Therefore, we try to understand the evolution of stratospheric sulfur after the injection and the consequences on stratospheric dynamics and on the transport of species.We simulated the evolution of sulfate after the injection of different amounts of SO2 into the stratosphere within the GCM ECHAM5, coupled to the aerosol microphysical module (HAM). The model simulates detailed aerosol microphysical processes, as well as their impact on radiative properties.Using a model version with 90 vertical levels, the model is capable to simulate the quasi biennial oscillation (QBO) in the tropical stratosphere. Our simulations showed an impact of the sulfate aerosol heating in the stratosphere on the QBO phases, which depends on injection rate and height. The westerly phase is prolonged in the lower stratosphere and becomes constant when further increasing the injected amount of sulfur. Injecting 8 Mt(S)/y has the consequence of a complete shut down of the oscillation. Meridional transport of particle is different in the QBO west phase compared to the east phase. The aerosol is stronger confined at the Equator and meridional transport is reduced with the consequence of smaller radiative forcing compared to the same injection rate but with easterly winds in the lower stratosphere.The impact of a changing QBO on transport and radiative forcing, as well as the related consequences on balancing anthropogenic forcing and on climate will be discussed.
DEFF Research Database (Denmark)
Chen, Yaohui; Mørk, Jesper
2011-01-01
In this paper we review our theoretical work on slow and fast light effects in quantum dot semiconductor optical amplifiers (QD SOAs), in particular we investigate the carrier dynamical contributions to the dynamic gain grating and cross gain modulation induced by unique ultrafast inter-subband c......In this paper we review our theoretical work on slow and fast light effects in quantum dot semiconductor optical amplifiers (QD SOAs), in particular we investigate the carrier dynamical contributions to the dynamic gain grating and cross gain modulation induced by unique ultrafast inter...
Energy Technology Data Exchange (ETDEWEB)
Bjorgaard, J. A., E-mail: jbjorgaard@lanl.gov [Center for Nonlinear Studies, Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Velizhanin, K. A. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Tretiak, S., E-mail: serg@lanl.gov [Center for Integrated Nanotechnologies, Center for Nonlinear Studies, and Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)
2016-04-21
The effects of solvent on molecular processes such as excited state relaxation and photochemical reaction often occurs in a nonequilibrium regime. Dynamic processes such as these can be simulated using excited state molecular dynamics. In this work, we describe methods of simulating nonequilibrium solvent effects in excited state molecular dynamics using linear-response time-dependent density functional theory and apparent surface charge methods. These developments include a propagation method for solvent degrees of freedom and analytical energy gradients for the calculation of forces. Molecular dynamics of acetaldehyde in water or acetonitrile are demonstrated where the solute-solvent system is out of equilibrium due to photoexcitation and emission.
Effects of Morphology on Dynamics of Block Copolymer Systems
Shen, Kuan-Hsuan; Hall, Lisa
It is well known that block copolymers can microphase separate into ordered structures such as lamellae, hexagonally packed cylinders, or the bicontinuous double gyroid phase. Understanding the dynamics of the chains themselves and of added selective small molecule penetrants is relevant to the design of polymeric systems for transport applications. We expect that chain and penetrant dynamics are strongly dependent on morphology, while chain dynamics are also significantly impacted by individual polymer conformations within the morphology. For instance, in prior work on tapered polymers with a midblock of various concentration profiles, chains that fold back and forth across the lamellar interface were shown to have significantly decreased diffusion. Here we use coarse-grained molecular dynamics simulations to study how chain and penetrant dynamics depend on domain spacing, polymer conformations, and microphase morphology. We initialize systems of various fractions of A monomers in lamellar, cylinder, or gyroid microphases by growing polymers in a constrained random walk such that the two blocks are placed on opposite sides of the interface. We include, for comparison, systems with the same fraction of A that are initialized (and kinetically trapped) in different microphases, and show how this impacts polymer relaxation. How the dependence of penetrant diffusion on morphology relates to that of polymer chains will also be discussed. This material is based upon work supported by the National Science Foundation under Grant 1454343.
Structural relaxation dynamics and annealing effects of sodium silicate glass.
Naji, Mohamed; Piazza, Francesco; Guimbretière, Guillaume; Canizarès, Aurélien; Vaills, Yann
2013-05-09
Here we report high-precision measurements of structural relaxation dynamics in the glass transition range at the intermediate and short length scale for a strong sodium silicate glass during long annealing times. We evidence for the first time the heterogeneous dynamics at the intermediate range order by probing the acoustic longitudinal frequency in the GHz region by Brillouin light scattering spectroscopy. Or, from in-situ Raman measurements, we show that relaxation is indeed homogeneous at the interatomic length scale. Our results show that the dynamics at the intermediate range order contains two distinct relaxation time scales, a fast and a slow component, differing by about a 10-fold factor below Tg and approaching to one another past the glass transition. The slow relaxation time agrees with the shear relaxation time, proving that Si-O bond breaking constitutes the primary control of structural relaxation at the intermediate range order.
Analysis of dynamic effects in solar thermal energy conversion systems
Hamilton, C. L.
1978-01-01
The paper examines a study the purpose of which is to assess the performance of solar thermal power systems insofar as it depends on the dynamic character of system components and the solar radiation which drives them. Using a dynamic model, the daily operation of two conceptual solar conversion systems was simulated under varying operating strategies and several different time-dependent radiation intensity functions. These curves ranged from smoothly varying input of several magnitudes to input of constant total energy whose intensity oscillated with periods from 1/4 hour to 6 hours.
Effect of Cement Asphalt Mortar Debonding on Dynamic Properties of CRTS II Slab Ballastless Track
Ping Wang; Hao Xu; Rong Chen
2014-01-01
The debonding of cement emulsified asphalt mortar (CA mortar) is one of the main damage types in China railway track system II slab ballastless track. In order to analyze the influence of mortar debonding on the dynamic properties of CRTS II slab ballastless track, a vertical coupling vibration model for a vehicle-track-subgrade system was established on the base of wheel/rail coupling dynamics theory. The effects of different debonding lengths on dynamic response of vehicle and track system...
ION ACOUSTIC TURBULENCE, ANOMALOUS TRANSPORT, AND SYSTEM DYNAMICS IN HALL EFFECT THRUSTERS
2017-06-30
NUMBER (Include area code) 30 June 2017 Briefing Charts 26 May 2017 - 30 June 2017 ION ACOUSTIC TURBULENCE, ANOMALOUS TRANSPORT , AND SYSTEM DYNAMICS...Robert Martin N/A ION ACOUSTIC TURBULENCE, ANOMALOUS TRANSPORT , AND SYSTEM DYNAMICS IN HALL EFFECT THRUSTERS Robert Martin1, Jonathan Tran2 1AIR FORCE...Approved for Public Release; Distribution is Unlimited. PA# 17394 1 / 13 OUTLINE 1 INTRODUCTION 2 TRANSPORT 3 DYNAMIC SYSTEM 4 SUMMARY AND CONCLUSION
Aeroelastic modal dynamics of wind turbines including anisotropic effects
Energy Technology Data Exchange (ETDEWEB)
Fisker Skjoldan, P.
2011-03-15
Several methods for aeroelastic modal analysis of a rotating wind turbine are developed and used to analyse the modal dynamics of two simplified models and a complex model in isotropic and anisotropic conditions. The Coleman transformation is used to enable extraction of the modal frequencies, damping, and periodic mode shapes of a rotating wind turbine by describing the rotor degrees of freedom in the inertial frame. This approach is valid only for an isotropic system. Anisotropic systems, e.g., with an unbalanced rotor or operating in wind shear, are treated with the general approaches of Floquet analysis or Hill's method which do not provide a unique reference frame for observing the modal frequency, to which any multiple of the rotor speed can be added. This indeterminacy is resolved by requiring that the periodic mode shape be as constant as possible in the inertial frame. The modal frequency is thus identified as the dominant frequency in the response of a pure excitation of the mode observed in the inertial frame. A modal analysis tool based directly on the complex aeroelastic wind turbine code BHawC is presented. It uses the Coleman approach in isotropic conditions and the computationally efficient implicit Floquet analysis in anisotropic conditions. The tool is validated against system identifications with the partial Floquet method on the nonlinear BHawC model of a 2.3 MW wind turbine. System identification results show that nonlinear effects on the 2.3 MW turbine in most cases are small, but indicate that the controller creates nonlinear damping. In isotropic conditions the periodic mode shape contains up to three harmonic components, but in anisotropic conditions it can contain an infinite number of harmonic components with frequencies that are multiples of the rotor speed. These harmonics appear in calculated frequency responses of the turbine. Extreme wind shear changes the modal damping when the flow is separated due to an interaction between
Effect of 8-week exerciseon improving the static and dynamic ...
African Journals Online (AJOL)
Before the training program of supinated legs of navicular drop test subjects, static balance and dynamic balance was measured with a force platform. The experimental group carried out exercises program for 8 weeks with a frequency of three times a week on the area of weak muscles and stretched legs, and the control ...
Potential Originality and Effectiveness: The Dynamic Definition of Creativity
Corazza, Giovanni Emanuele
2016-01-01
Given the central role of creativity in the future post-information society, a call for a pragmatist approach to the study of creativity is advocated, that brings as a consequence the recognition of the dynamic nature of this phenomenon. At the foundation of the proposed new theoretical framework lies the definition of creativity itself, which is…
Effects of barrier fluctuation on the tunneling dynamics in the ...
Indian Academy of Sciences (India)
tic reorientations of a bridge unit or stochastically interrupted electronic pathway as in proteins [6]. So, the fluctuating barrier model can act as a good model for proton or H atom transfer dynamics in biomolecules or proteins where the protonic pathway contains a flipping molecular unit. Iwaniszewski studied the problem of.
Effects of dynamic-range compression on temporal acuity
DEFF Research Database (Denmark)
Wiinberg, Alan; Jepsen, Morten Løve; Epp, Bastian
2016-01-01
processing, temporal modulation transfer functions (TMTFs) and “supra-threshold” modulation-depth discrimination (MDD) thresholds were obtained in normal-hearing (NH) and hearing-impaired (HI) listeners with and without wide-dynamic range compression (WDRC). The TMTFs were obtained using tonal carriers of 1...
Integrated effect of treadmill training combined with dynamic ankle ...
African Journals Online (AJOL)
Abd El Aziz Ali Sherief
2015-01-13
Jan 13, 2015 ... palsy children for 60 min, in addition group B received treadmill training with dynamic ankle foot orthoses for 30 min. ... treadmill training as an additional procedure to the treatment program of hemiplegic cerebral palsy children. .... ture (2) cardiovascular diseases, (3) surgery within the previous. 24 months ...
Electrostatic effects on clustering and ion dynamics in ionomer melts
Ma, Boran; Nguyen, Trung; Pryamitsyn, Victor; Olvera de La Cruz, Monica
An understanding of the relationships between ionomer chain morphology, dynamics and counter-ion mobility is a key factor in the design of ion conducting membranes for battery applications. In this study, we investigate the influence of electrostatic coupling between randomly charged copolymers (ionomers) and counter ions on the structural and dynamic features of a model system of ionomer melts. Using coarse-grained molecular dynamics (CGMD) simulations, we found that variations in electrostatic coupling strength (Γ) remarkably affect the formation of ion-counter ion clusters, ion mobility, and polymer dynamics for a range of charged monomer fractions. Specifically, an increase in Γ leads to larger ionic cluster sizes and reduced polymer and ion mobility. Analysis of the distribution of the radius of gyration of the clusters further reveals that the fractal dimension of the ion clusters is nearly independent from Γ for all the cases studied. Finally, at sufficiently high values of Γ, we observed arrested heterogeneous ions mobility, which is correlated with an increase in ion cluster size. These findings provide insight into the role of electrostatics in governing the nanostructures formed by ionomers.
[The effect of the new technological revolution on population dynamics].
Wu, K
1985-01-29
The impact of modernization on population dynamics in China is examined. The author notes that the industrialization process involves the concentration of the population in urban areas and the mechanization of agriculture. The need to redistribute the urban population from major urban areas to smaller towns is noted.
Interaction effects on dynamic correlations in noncondensed Bose gases
Bezett, A.; Van Driel, H. J.; Mink, M. P.; Stoof, H. T C; Duine, R. A.
2014-01-01
We consider dynamic, i.e., frequency-dependent, correlations in noncondensed ultracold atomic Bose gases. In particular, we consider the single-particle correlation function and its power spectrum. We compute this power spectrum for a one-component Bose gas, and we show how it depends on the
Effect of strong coupling on interfacial electron transfer dynamics in ...
Indian Academy of Sciences (India)
Unknown
Radiation & Photochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 e-mail: hnghosh@barc.gov.in. Abstract. Dynamics of interfacial electron transfer (ET) in ruthenium ..... As the localization takes place mostly on bpy-cat ligand, ILET process does not interfere much in the electron injection ...
Effect of support conditions on structural response under dynamic loading
International Nuclear Information System (INIS)
Akram, T.; Memon, S.A.
2008-01-01
In design practice, dynamic structural analysis is carried out with base of structure considered as fixed; this means that foundation is placed on rock like soil material. While conducting this type of analyses the role of foundation and soil behaviour is totally neglected. The actions in members and loads transferred at foundation level obtained in this manner do not depict the true structural behaviour. FEM (Finite Element Methods) analysis where both superstructure and foundation soil are coupled together is quite complicated and expensive for design environments. A simplified model is required to depict dynamic response of structures with foundations based on flexible soils. The primary purpose of this research is to compare the superstructure dynamic responses of structural systems with fixed base to that of simple soil model base. The selected simple soil model is to be suitable for use in a design environment to give more realistic results. For this purpose building models are idealized with various heights and structural systems in both 2D (Two Dimensional) and 3D (Three Dimensional) space. These models are then provided with visco-elastic supports representing three soil bearing capacities and the analysis results are compared to that of fixed supports models. The results indicate that fixed support system underestimates natural time period of the structures. Dynamic behavior and force response of visco-elastic support is different from fixed support model. Fixed support models result in over designed base columns and under designed beams. (author)
Atmospheric effects on the dynamics of the MIMOSA satellite
Czech Academy of Sciences Publication Activity Database
Kabeláč, J.; Sehnal, Ladislav
2003-01-01
Roč. 76, - (2003), s. 536-542 ISSN 0949-7714 R&D Projects: GA ČR GV205/96/K119 Institutional research plan: CEZ:AV0Z1003909 Keywords : satellite MIMOSA * dynamics * atmosphere Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 0.983, year: 2003
Electron spin transition causing structure transformations of earth's interiors under high pressure
Yamanaka, T.; Kyono, A.; Kharlamova, S.; Alp, E.; Bi, W.; Mao, H.
2012-12-01
To elucidate the correlation between structure transitions and spin state is one of the crucial problems for understanding the geophysical properties of earth interiors under high pressure. High-pressure studies of iron bearing spinels attract extensive attention in order to understand strong electronic correlation such as the charge transfer, electron hopping, electron high-low spin transition, Jahn-Teller distortion and charge disproponation in the lower mantle or subduction zone [1]. Experiment Structure transitions of Fe3-xSixO4, Fe3-xTixO4 Fe3-xCrxO4 spinel solid solution have been investigated at high pressure up to 60 GPa by single crystal and powder diffraction studies using synchrotron radiation with diamond anvil cell. X-ray emission experiment (XES) at high pressure proved the spin transition of Fe-Kβ from high spin (HS) to intermediate spin state (IS) or low spin state (LS). Mössbauer experiment and Raman spectra study have been also conducted for deformation analysis of Fe site and confirmation of the configuration change of Fe atoms. Jahn-Teller effect A cubic-to-tetragonal transition under pressure was induced by Jahn-Teller effect of IVFe2+ (3d6) in the tetrahedral site of Fe2TiO4 and FeCr2O4, providing the transformation from 43m (Td) to 42m (D2d). Tetragonal phase is formed by the degeneracy of e orbital of Fe2+ ion. Their c/a ratios are c/adisordered in the M2 site. At pressures above 53 GPa, Fe2TiO4 structure further transforms to Pmma. This structure change results in the order-disorder transition [2]. New structure of Fe2SiO4 The spin transition exerts an influence to Fe2SiO4 spinel structure and triggers two distinct curves of the lattice constant in the spinel phase. The reversible structure transition from cubic to pseudo-rhombohedral phase was observed at about 45 GPa. This transition is induced by the 20% shrinkage of ionic radius of VIFe2+at the low sin state. Laser heating experiment at 1500 K has confirmed the decomposition from the
Metastable structures and size effects in small group dynamics
Directory of Open Access Journals (Sweden)
Rosapia eLauro Grotto
2014-07-01
Full Text Available In his seminal works on group dynamics Bion defined a specific therapeutic setting allowing psychoanalytic observations on group phenomena. In describing the setting he proposed that the group was where his voice arrived. This physical limit was later made operative by assuming that the natural dimension of a therapeutic group is around 12 people. Bion introduced a theory of the group aspects of the mind in which proto-mental individual states spontaneously evolve into shared psychological states that are characterized by a series of features: 1 they emerge as a consequence of the natural tendency of (both conscious and unconscious emotions to combine into structured group patterns; 2 they have a certain degree of stability in time; 3 they tend to alternate so that the dissolution of one is rapidly followed by the emergence of another; 4 they can be described in qualitative terms according to the nature of the emotional mix that dominates the state, in structural terms by a kind of typical 'leadership’ pattern, and in 'cognitive’ terms by a set of implicit expectations that are helpful in explaining the group behavior (i.e. the group behaves 'as if’ it was assuming that…. Here we adopt a formal approach derived from Socio-physics in order to explore some of the structural and dynamic properties of this small group dynamics. We will described data from an analytic DS model simulating small group interactions of agents endowed with a very simplified emotional and cognitive dynamic in order to assess the following main points: 1 are metastable collective states allowed to emerge in the model and if so, under which conditions in the parameter space? 3 can these states be differentiated in structural terms? 3 to what extent are the emergent dynamic features of the systems dependent of the system size? We will finally discuss possible future applications of the quantitative descriptions of the interaction structure in the small group clinical
Metastable structures and size effects in small group dynamics.
Lauro Grotto, Rosapia; Guazzini, Andrea; Bagnoli, Franco
2014-01-01
In his seminal works on group dynamics Bion defined a specific therapeutic setting allowing psychoanalytic observations on group phenomena. In describing the setting he proposed that the group was where his voice arrived. This physical limit was later made operative by assuming that the natural dimension of a therapeutic group is around 12 people. Bion introduced a theory of the group aspects of the mind in which proto-mental individual states spontaneously evolve into shared psychological states that are characterized by a series of features: (1) they emerge as a consequence of the natural tendency of (both conscious and unconscious) emotions to combine into structured group patterns; (2) they have a certain degree of stability in time; (3) they tend to alternate so that the dissolution of one is rapidly followed by the emergence of another; (4) they can be described in qualitative terms according to the nature of the emotional mix that dominates the state, in structural terms by a kind of typical "leadership" pattern, and in "cognitive" terms by a set of implicit expectations that are helpful in explaining the group behavior (i.e., the group behaves "as if" it was assuming that). Here we adopt a formal approach derived from Socio-physics in order to explore some of the structural and dynamic properties of this small group dynamics. We will described data from an analytic DS model simulating small group interactions of agents endowed with a very simplified emotional and cognitive dynamic in order to assess the following main points: (1) are metastable collective states allowed to emerge in the model and if so, under which conditions in the parameter space? (2) can these states be differentiated in structural terms? (3) to what extent are the emergent dynamic features of the systems dependent of the system size? We will finally discuss possible future applications of the quantitative descriptions of the interaction structure in the small group clinical setting.
Effects of Dynamical Evolution on Globular Clusters’ Internal Kinematics
Tiongco, Maria; Vesperini, Enrico; Varri, Anna Lisa
2018-01-01
The synergy between recent photometric, spectroscopic, and astrometric studies is revealing that globular clusters deviate from the traditional picture of dynamically simple and single stellar population systems. Complex kinematical features such as velocity anisotropy and rotation, and the existence of multiple stellar populations are some of the key observational findings. My thesis work has aimed to build a theoretical framework to interpret these new observational results and to understand their link with a globular cluster’s dynamical history.I have focused on the study of the evolution of globular clusters' internal kinematics, as driven by two-body relaxation, and the interplay between internal angular momentum and the external Galactic tidal field. With a specifically-designed, large survey of direct N-body simulations, I have explored the three-dimensional structure of the velocity space of tidally-perturbed clusters, by characterizing their degree of anisotropy and their rotational properties. These studies have proved that a cluster's kinematical properties contain a distinct imprints of the cluster’s initial structural properties, dynamical history, and tidal environment. By relaxing a number of simplifying assumptions that are traditionally imposed, I have also showed how the interplay between a cluster's internal evolution and the interaction with the host galaxy can produce complex morphological and kinematical properties, such as a counter-rotating core and a twisting of the projected isodensity contours.Building on this fundamental understanding, I have then studied the dynamics of multiple stellar populations in globular clusters, with attention to the largely unexplored role of angular momentum. I have analyzed the evolution of clusters with stellar populations characterized by different initial structural and kinematical properties to determine how long these differences are preserved, and in what cases they could still be observable in
Lee, Hui Sun; Qi, Yifei; Im, Wonpil
2015-03-09
N-linked glycosylation is one of the most important, chemically complex, and ubiquitous post-translational modifications in all eukaryotes. The N-glycans that are covalently linked to proteins are involved in numerous biological processes. There is considerable interest in developments of general approaches to predict the structural consequences of site-specific glycosylation and to understand how these effects can be exploited in protein design with advantageous properties. In this study, the impacts of N-glycans on protein structure and dynamics are systematically investigated using an integrated computational approach of the Protein Data Bank structure analysis and atomistic molecular dynamics simulations of glycosylated and deglycosylated proteins. Our study reveals that N-glycosylation does not induce significant changes in protein structure, but decreases protein dynamics, likely leading to an increase in protein stability. Overall, these results suggest not only a common role of glycosylation in proteins, but also a need for certain proteins to be properly glycosylated to gain their intrinsic dynamic properties.
The effect of dynamic workstations on the performance of various computer and office-based tasks
Burford, E.M.; Botter, J.; Commissaris, D.; Könemann, R.; Hiemstra-Van Mastrigt, S.; Ellegast, R.P.
2013-01-01
The effect of different workstations, conventional and dynamic, on different types of performance measures for several different office and computer based task was investigated in this research paper. The two dynamic workstations assessed were the Lifespan Treadmill Desk and the RightAngle
Thunderstorms in my computer : The effect of visual dynamics and sound in a 3D environment
Houtkamp, J.; Schuurink, E.L.; Toet, A.
2008-01-01
We assessed the effects of the addition of dynamic visual elements and sounds to a levee patroller training game on the appraisal of the environment and weather conditions, the engagement of the users and their performance. Results show that the combination of visual dynamics and sounds best conveys
The Dynamics of Study-Work Choice and Its Effect on Intended and Actual University Attainment
Gong, Xiaodong
2017-01-01
We study the dynamics of study-work choices of Australian high school students and how these choices affect intended and actual enrolment in universities when they finish their school education. A dynamic random effect multi-equation model is constructed and estimated. We find that study-work choices are state dependent, driven by student…
Effect of Selected Balance Exercises on the Dynamic Balance of Children with Visual Impairments
Jazi, Shirin Davarpanah; Purrajabi, Fatemeh; Movahedi, Ahmadreza; Jalali, Shahin
2012-01-01
Introduction: Maintaining balance while walking is of utmost importance for individuals with visual impairments because deficits in dynamic balance have been associated with a high risk of falling. Thus, the primary aim of the study presented here was to determine whether balance training effects the dynamic balance of children with visual…
Jonathan A. O' Donnell; M.Torre Jorgenson; Jennifer W. Harden; A.David McGuire; Mikhail Z. Kanevskiy; Kimberly P. Wickland
2012-01-01
Recent warming at high-latitudes has accelerated permafrost thaw in northern peatlands, and thaw can have profound effects on local hydrology and ecosystem carbon balance. To assess the impact of permafrost thaw on soil organic carbon (OC) dynamics, we measured soil hydrologic and thermal dynamics and soil OC stocks across a collapse-scar bog chronosequence in interior...
Core-hole-induced dynamical effects in the x-ray emission spectrum of liquid methanol.
Ljungberg, M P; Zhovtobriukh, I; Takahashi, O; Pettersson, L G M
2017-04-07
We compute the x-ray emission spectrum of liquid methanol, with the dynamical effects that result from the creation of the core hole included in a semiclassical way. Our method closely reproduces a fully quantum mechanical description of the dynamical effects for relevant one-dimensional models of the hydrogen-bonded methanol molecules. For the liquid, we find excellent agreement with the experimental spectrum, including the large isotope effect in the first split peak. The dynamical effects depend sensitively on the initial structure in terms of the local hydrogen-bonding (H-bonding) character: non-donor molecules contribute mainly to the high-energy peak while molecules with a strong donating H-bond contribute to the peak at lower energy. The spectrum thus reflects the initial structure mediated by the dynamical effects that are, however, seen to be crucial in order to reproduce the intensity distribution of the recently measured spectrum.
Symmetry Preservation and Critical Fluctuations in a Pseudospin Crossover Perovskite LaCoO3
Shimizu, Yasuhiro; Takahashi, Takuya; Yamada, Syunpei; Shimokata, Ayako; Jin-no, Takaaki; Itoh, Masayuki
2017-12-01
Spin-state crossover beyond a conventional ligand-field theory has been a fundamental issue in condensed matter physics. Here, we report microscopic observations of spin states and low-energy dynamics through orbital-resolved NMR spectroscopy in the prototype compound LaCoO3. The Co 59 NMR spectrum shows the preserved crystal symmetry across the crossover, inconsistent with d orbital ordering due to the Jahn-Teller distortion. The orbital degeneracy results in a pseudospin (J ˜=1 ) excited state with an orbital moment observed as Co 59 hyperfine coupling tensors. We found that the population of the excited state evolves above the heart crossover temperature. The crossover involves critical spin-state fluctuations emerging under the magnetic field. These results suggest that the spin-state crossover can be mapped into a statistical problem, analogous to the supercritical liquid in liquid-gas transition.
Emergent dimensional reduction of the spin sector in a model for narrow-band manganites
Liang, Shuhua; Daghofer, Maria; Dong, Shuai; Şen, Cengiz; Dagotto, Elbio
2011-07-01
The widely used double-exchange model for manganites is shown to support various “striped” phases at filling fractions 1/n (n=3, 4, 5,…), in the previously unexplored regime of narrow bandwidth and small Jahn-Teller coupling. Working in two dimensions, our main result is that these stripes can be individually spin flipped without a physically relevant change in the energy, i.e., we find a large ground-state manifold with nearly degenerate energies. The two-dimensional spin system thus displays an unexpected dynamically generated dimensional reduction into decoupled one-dimensional stripes, even though the electronic states remain two dimensional. Relations of our results with recent literature addressing compass models in quantum computing are discussed.
DEFF Research Database (Denmark)
Reynisson, J.; Wilbrandt, R.; Brinck, V.
2002-01-01
. The physical and chemical properties of the excited singlet state of the trioxatriangulenium (TOTA(+)) carbenium ion are investigated by experimental and Computational means. The degeneracy of the lowest excited states is counteracted by Jahn-Teller-type distortion, which leads to vibronic broadening...... of the long wavelength absorption band. A strong fluorescence is observed at 520 nm (tau(n) = 14.6 ns, phi(n) = 0.12 in deaerated acetonitrile). The fluorescence is quenched by 10 aromatic electron donors predominantly via a dynamic charge transfer mechanism, but ground state complexation is shown...... triphenylenes is studied separately. Phosphorescence spectra, triplet lifetimes, and triplet-triplet absorption spectra are provided. In the discussion, TOTA(+) is compared to the unsubstituted xanthenium ion and its 9-phenyl derivative with respect to the excited state properties....
[Effect of maternal death on family dynamics and infant survival].
Reyes Frausto, S; Bobadilla Fernández, J L; Karchmer Krivitzky, S; Martínez González, L
1998-10-01
Family adjustments, which are generated by a maternal death, have been analysed previously in Mexico by using a reduced number of cases in rural areas. This study was design in order to establish changes in family dynamic generated b y a maternal death and to analyse child surviving after one year of birth. Family members of maternal deaths cases, which occurred during 1988-89 in the Federal District, were interviewed by first time in order to know information related to family dynamic and women's characteristics. A second interview was made after one year of birth for cases in which the newborn survived hospital discharge. Simple frequencies were calculated and using X2 test compared groups. Main consequences were family disintegration, child acquiring new roles and economic problems when woman was the main or the only one support of the family. Child surviving was higher than we expected considering other national or international reports. Children were mainly integrated to their grandparent's family.
Reconciliation of equipment flexibility effects on piping system dynamic response
International Nuclear Information System (INIS)
Geraets, L.H.
1987-01-01
Piping systems are connected to equipment; if the equipment cannot be considered as ''rigid'' relative to excitation frequencies, nozzle response spectra techniques, or equipment modeling techniques are used. If the equipment is considered rigid, a fixed anchor is assumed. However, occasionally after (seismic) dynamic analysis has been completed, tests or detailed equipment dynamic analyses demonstrate that the assumption of ''infinite stiff'' is questionable. This paper reviews several classes of equipment (pumps, vessels, reservoirs, heat exchangers), and the associated (piping stresses, support loads, equipment nozzle allowables). Significant divergences between design and ''as built'' results are shown (for heat exchangers in particular). The paper discusses the reconciliation process performed for a belgian PWR plant through the use of less conservative seismic damping data (Code Case N-411)
Dynamics of the anaerobic process: Effects of volatile fatty acids
DEFF Research Database (Denmark)
Pind, Peter Frode; Angelidaki, Irini; Ahring, Birgitte Kiær
2003-01-01
A complex and fast dynamic response of the anaerobic biogas system was observed when the system was subjected to pulses of volatile fatty acids (VFAs). It was shown that a pulse of specific VFAs into a well-functioning continuous stirred tank reactor (CSTR) system operating on cow manure affected...... or inhibition was shown for the degradation of all VFAs tested. Based on the results, it was concluded that measurements of all specific VFAs are important for control purposes and increase and decrease in a specific VFA should always be evaluated in close relationship to the conversion of other VFAs...... and the history of the reactor process. It should be pointed out that the observed dynamics of VFA responses were based on hourly measurements, meaning that the response duration was much lower than the hydraulic retention time, which exceeds several days in anaerobic CSTR systems....
Effect of pressure on dynamic heterogeneity in dendrimeric alkyd resin
Paluch, M.; Sekula, M.; Maślanka, S.; Mańczyk, K.; Sułkowski, W. W.; Rzoska, S. J.; Ziolo, J.
2004-01-01
Broadband dielectric spectroscopy is employed to investigate the non-Debye relaxation behavior in a dendrimeric alkyd resin. From temperature-dependent measurements at ambient pressure, we found a very broad distribution of relaxation times. This is attributed to the complex geometrical topology of the molecule. However, compression significantly reduces the non-Debye character of the dielectric response; thus, pressure induces dynamic homogeneity in the dendrimeric alkyd resin.
Dynamic cross-sales effects of price promotions: Empirical generalizations
B. VINDEVOGEL; D. VAN DEN POEL; G. WETS
2004-01-01
In this research we use the framework of market-basket analysis and techniques from modern multivariate time-series analysis to measure and explain the dynamic impact of a price promotion on the sales of a complementary product. The large scale of this research enables us to derive empirical generalizations. We contribute to the literature in drawing the following conclusions: Firstly, we illustrate that using an intense promotion strategy, characterized by deeper and more frequent price prom...
Energy Technology Data Exchange (ETDEWEB)
Ertas, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Department of Physics, Nevsehir University, 50300 Nevsehir (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)
2012-03-15
The dynamic phase transitions are studied in the kinetic spin-2 Blume-Capel model under a time-dependent oscillating magnetic field using the effective-field theory with correlations. The effective-field dynamic equation for the average magnetization is derived by employing the Glauber transition rates and the phases in the system are obtained by solving this dynamic equation. The nature (first- or second-order) of the dynamic phase transition is characterized by investigating the thermal behavior of the dynamic magnetization and the dynamic phase transition temperatures are obtained. The dynamic phase diagrams are constructed in the reduced temperature and magnetic field amplitude plane and are of seven fundamental types. Phase diagrams contain the paramagnetic (P), ferromagnetic-2 (F{sub 2}) and three coexistence or mixed phase regions, namely the F{sub 2}+P, F{sub 1}+P and F{sub 2}+F{sub 1}+P, which strongly depend on the crystal-field interaction (D) parameter. The system also exhibits the dynamic tricritical behavior. - Highlights: Black-Right-Pointing-Pointer Dynamic phase transitions are studied in spin-2 BC model using EFT. Black-Right-Pointing-Pointer Dynamic phase diagrams are constructed in (T/zJ, h/zJ) plane. Black-Right-Pointing-Pointer Seven fundamental types of dynamic phase diagrams are found in the system. Black-Right-Pointing-Pointer System exhibits dynamic tricritical behavior.
Modeling biofuel expansion effects on land use change dynamics
International Nuclear Information System (INIS)
Warner, Ethan; Inman, Daniel; Kunstman, Benjamin; Bush, Brian; Vimmerstedt, Laura; Macknick, Jordan; Zhang Yimin; Peterson, Steve
2013-01-01
Increasing demand for crop-based biofuels, in addition to other human drivers of land use, induces direct and indirect land use changes (LUC). Our system dynamics tool is intended to complement existing LUC modeling approaches and to improve the understanding of global LUC drivers and dynamics by allowing examination of global LUC under diverse scenarios and varying model assumptions. We report on a small subset of such analyses. This model provides insights into the drivers and dynamic interactions of LUC (e.g., dietary choices and biofuel policy) and is not intended to assert improvement in numerical results relative to other works. Demand for food commodities are mostly met in high food and high crop-based biofuel demand scenarios, but cropland must expand substantially. Meeting roughly 25% of global transportation fuel demand by 2050 with biofuels requires >2 times the land used to meet food demands under a presumed 40% increase in per capita food demand. In comparison, the high food demand scenario requires greater pastureland for meat production, leading to larger overall expansion into forest and grassland. Our results indicate that, in all scenarios, there is a potential for supply shortfalls, and associated upward pressure on prices, of food commodities requiring higher land use intensity (e.g., beef) which biofuels could exacerbate. (letter)
Experimental Analysis of Dynamic Effects of FRP Reinforced Masonry Vaults
Corradi, Marco; Borri, Antonio; Castori, Giulio; Coventry, Kathryn
2015-01-01
An increasing interest in the preservation of historic structures has produced a need for new methods for reinforcing curved masonry structures, such as arches and vaults. These structures are generally very ancient, have geometries and materials which are poorly defined and have been exposed to long-term historical movements and actions. Consequently, they are often in need of repair or reinforcement. This article presents the results of an experimental study carried out in the laboratory and during on-site testing to investigate the behaviour of brick masonry vaults under dynamic loading strengthened with FRPs (Fiber Reinforced Polymers). For the laboratory tests, the brick vaults were built with solid sanded clay bricks and weak mortar and were tested under dynamic loading. The experimental tests were designed to facilitate analysis of the dynamic behaviour of undamaged, damaged and reinforced vaulted structures. On-site tests were carried out on an earthquake-damaged thin brick vault of an 18th century aristocratic residence in the city of L’Aquila, Italy. The provision of FRP reinforcement is shown to re-establish elastic behavior previously compromised by time induced damage in the vaults. PMID:28793697
Experimental Analysis of Dynamic Effects of FRP Reinforced Masonry Vaults
Directory of Open Access Journals (Sweden)
Marco Corradi
2015-11-01
Full Text Available An increasing interest in the preservation of historic structures has produced a need for new methods for reinforcing curved masonry structures, such as arches and vaults. These structures are generally very ancient, have geometries and materials which are poorly defined and have been exposed to long-term historical movements and actions. Consequently, they are often in need of repair or reinforcement. This article presents the results of an experimental study carried out in the laboratory and during on-site testing to investigate the behaviour of brick masonry vaults under dynamic loading strengthened with FRPs (Fiber Reinforced Polymers. For the laboratory tests, the brick vaults were built with solid sanded clay bricks and weak mortar and were tested under dynamic loading. The experimental tests were designed to facilitate analysis of the dynamic behaviour of undamaged, damaged and reinforced vaulted structures. On-site tests were carried out on an earthquake-damaged thin brick vault of an 18th century aristocratic residence in the city of L’Aquila, Italy. The provision of FRP reinforcement is shown to re-establish elastic behavior previously compromised by time induced damage in the vaults.
Experimental Analysis of Dynamic Effects of FRP Reinforced Masonry Vaults.
Corradi, Marco; Borri, Antonio; Castori, Giulio; Coventry, Kathryn
2015-11-27
An increasing interest in the preservation of historic structures has produced a need for new methods for reinforcing curved masonry structures, such as arches and vaults. These structures are generally very ancient, have geometries and materials which are poorly defined and have been exposed to long-term historical movements and actions. Consequently, they are often in need of repair or reinforcement. This article presents the results of an experimental study carried out in the laboratory and during on-site testing to investigate the behaviour of brick masonry vaults under dynamic loading strengthened with FRPs (Fiber Reinforced Polymers). For the laboratory tests, the brick vaults were built with solid sanded clay bricks and weak mortar and were tested under dynamic loading. The experimental tests were designed to facilitate analysis of the dynamic behaviour of undamaged, damaged and reinforced vaulted structures. On-site tests were carried out on an earthquake-damaged thin brick vault of an 18th century aristocratic residence in the city of L'Aquila, Italy. The provision of FRP reinforcement is shown to re-establish elastic behavior previously compromised by time induced damage in the vaults.
Effects of Dimerization of Serratia marcescens Endonuclease on Water Dynamics.
Energy Technology Data Exchange (ETDEWEB)
Chen, Chuanying; Beck, Brian W.; Krause, Kurt; Weksberg, Tiffany E.; Pettitt, Bernard M.
2007-02-15
The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The dynamics and structure of Serratia marcescens endonuclease and its neighboring solvent are investigated by molecular dynamics (MD). Comparisons are made with structural and biochemical experiments. The dimer form is physiologic and functions more processively than the monomer. We previously found a channel formed by connected clusters of waters from the active site to the dimer interface. Here, we show that dimerization clearly changes correlations in the water structure and dynamics in the active site not seen in the monomer. Our results indicate that water at the active sites of the dimer is less affected compared with bulk solvent than in the monomer where it has much slower characteristic relaxation times. Given that water is a required participant in the reaction, this gives a clear advantage to dimerization in the absence of an apparent ability to use both active sites simultaneously.
Directory of Open Access Journals (Sweden)
Philippe eTerrier
2013-09-01
Full Text Available It has been observed that times series of gait parameters (stride length (SL, stride time (ST and stride speed (SS, exhibit long-term persistence and fractal-like properties. Synchronizing steps with rhythmic auditory stimuli modifies the persistent fluctuation pattern to anti-persistence. Another nonlinear method estimates the degree of resilience of gait control to small perturbations, i.e. the local dynamic stability (LDS. The method makes use of the maximal Lyapunov exponent, which estimates how fast a nonlinear system embedded in a reconstructed state space (attractor diverges after an infinitesimal perturbation. We propose to use an instrumented treadmill to simultaneously measure basic gait parameters (time series of SL, ST and SS from which the statistical persistence among consecutive strides can be assessed, and the trajectory of the center of pressure (from which the LDS can be estimated. In 20 healthy participants, the response to rhythmic auditory cueing (RAC of LDS and of statistical persistence (assessed with detrended fluctuation analysis (DFA was compared. By analyzing the divergence curves, we observed that long-term LDS (computed as the reverse of the average logarithmic rate of divergence between the 4th and the 10th strides downstream from nearest neighbors in the reconstructed attractor was strongly enhanced (relative change +47%. That is likely the indication of a more dampened dynamics. The change in short-term LDS (divergence over one step was smaller (+3%. DFA results (scaling exponents confirmed an anti-persistent pattern in ST, SL and SS. Long-term LDS (but not short-term LDS and scaling exponents exhibited a significant correlation between them (r=0.7. Both phenomena probably result from the more conscious/voluntary gait control that is required by RAC. We suggest that LDS and statistical persistence should be used to evaluate the efficiency of cueing therapy in patients with neurological gait disorders.
Energy Technology Data Exchange (ETDEWEB)
Look, Nicole [Department of Applied Mathematics, University of Colorado Boulder, Boulder, Colorado 80309 (United States); Arellano, Christopher J.; Grabowski, Alena M.; Kram, Rodger [Department of Integrative Physiology, University of Colorado Boulder, Boulder, Colorado 80309 (United States); McDermott, William J. [The Orthopedic Specialty Hospital, Murray, Utah 84107 (United States); Bradley, Elizabeth [Department of Computer Science, University of Colorado Boulder, Boulder, Colorado 80309, USA and Santa Fe Institute, Santa Fe, New Mexico 87501 (United States)
2013-12-15
In this paper, we study dynamic stability during running, focusing on the effects of speed, and the use of a leg prosthesis. We compute and compare the maximal Lyapunov exponents of kinematic time-series data from subjects with and without unilateral transtibial amputations running at a wide range of speeds. We find that the dynamics of the affected leg with the running-specific prosthesis are less stable than the dynamics of the unaffected leg and also less stable than the biological legs of the non-amputee runners. Surprisingly, we find that the center-of-mass dynamics of runners with two intact biological legs are slightly less stable than those of runners with amputations. Our results suggest that while leg asymmetries may be associated with instability, runners may compensate for this effect by increased control of their center-of-mass dynamics.
International Nuclear Information System (INIS)
Look, Nicole; Arellano, Christopher J.; Grabowski, Alena M.; Kram, Rodger; McDermott, William J.; Bradley, Elizabeth
2013-01-01
In this paper, we study dynamic stability during running, focusing on the effects of speed, and the use of a leg prosthesis. We compute and compare the maximal Lyapunov exponents of kinematic time-series data from subjects with and without unilateral transtibial amputations running at a wide range of speeds. We find that the dynamics of the affected leg with the running-specific prosthesis are less stable than the dynamics of the unaffected leg and also less stable than the biological legs of the non-amputee runners. Surprisingly, we find that the center-of-mass dynamics of runners with two intact biological legs are slightly less stable than those of runners with amputations. Our results suggest that while leg asymmetries may be associated with instability, runners may compensate for this effect by increased control of their center-of-mass dynamics
International Nuclear Information System (INIS)
Ertas, Mehmet; Keskin, Mustafa; Deviren, Bayram
2010-01-01
The dynamic phase transitions are studied in the spin-2 Ising model under a time-dependent oscillating magnetic field by using the effective-field theory with correlations. The effective-field dynamic equation is derived by employing the Glauber transition rates and the phases in the system are obtained by solving this dynamic equation. The nature (first- or second-order) of the dynamic phase transition is characterized by investigating the thermal behavior of the dynamic order parameter and the dynamic phase transition temperatures are obtained. The dynamic phase diagrams are presented in (T/zJ, h/zJ) plane.
Quantum Nuclear Extension of Electron Nuclear Dynamics on Folded Effective-Potential Surfaces
DEFF Research Database (Denmark)
Hall, B.; Deumens, E.; Ohrn, Y.
2014-01-01
A perennial problem in quantum scattering calculations is accurate theoretical treatment of low energy collisions. We propose a method of extracting a folded, nonadiabatic, effective potential energy surface from electron nuclear dynamics (END) trajectories; we then perform nuclear wave packet...
Van Gog, Tamara; Paas, Fred; Marcus, Nadine; Ayres, Paul; Sweller, John
2009-01-01
Van Gog, T., Paas, F., Marcus, N., Ayres, P., & Sweller, J. (2009). The mirror-neuron system and observational learning: Implications for the effectiveness of dynamic visualizations. Educational Psychology Review, 21, 21-30.
A Study of Developing a System Dynamics Model for the Learning Effectiveness Evaluation
Directory of Open Access Journals (Sweden)
Tian-Syung Lan
2013-01-01
Full Text Available This study used the research method of system dynamics and applied the Vensim software to develop a learning effectiveness evaluation model. This study developed four cause-and-effect chains affecting learning effectiveness, including teachers’ teaching enthusiasm, family involvement, school’s implementation of scientific activities, and creative teaching method, as well as the system dynamics model based on the four cause-and-effect chains. Based on the developed system dynamic model, this study performed simulation to investigate the relationship among family involvement, learning effectiveness, teaching achievement, creative teaching method, and students’ learning interest. The results of this study verified that there are positive correlations between family involvement and students’ learning effectiveness, as well as students’ learning effectiveness and teachers’ teaching achievements. The results also indicated that the use of creative teaching method is able to increase students’ learning interest and learning achievement.
Nutrient Dynamics of the Delta: Effects on Primary Producers
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Clifford N. Dahm
2016-12-01
Full Text Available doi: https://doi.org/10.15447/sfews.2016v14iss4art4Increasing clarity of Delta waters, the emergence of harmful algal blooms, the proliferation of aquatic water weeds, and the altered food web of the Delta have brought nutrient dynamics to the forefront. This paper focuses on the sources of nutrients, the transformation and uptake of nutrients, and the links of nutrients to primary producers. The largest loads of nutrients to the Delta come from the Sacramento River with the San Joaquin River seasonally important, especially in the summer. Nutrient concentrations reflect riverine inputs in winter and internal biological processes during periods of lower flow with internal nitrogen losses within the Delta estimated at approximately 30% annually. Light regime, grazing pressure, and nutrient availability influence rates of primary production at different times and locations within the Delta. The roles of the chemical form of dissolved inorganic nitrogen in growth rates of primary producers in the Delta and the structure of the open-water algal community are currently topics of much interest and considerable debate. Harmful algal blooms have been noted since the late 1990s, and the extent of invasive aquatic macrophytes (both submerged and free-floating forms has increased especially during years of drought. Elevated nutrient loads must be considered in terms of their ability to support this excess biomass. Modern sensor technology and networks are now deployed that make high-frequency measurements of nitrate, ammonium, and phosphate. Data from such instruments allow a much more detailed assessment of the spatial and temporal dynamics of nutrients. Four fruitful directions for future research include utilizing continuous sensor data to estimate rates of primary production and ecosystem respiration, linking hydrodynamic models of the Delta with the transport and fate of dissolved nutrients, studying nutrient dynamics in various habitat types, and
SIMULAND - A CODE TO ANALYZE DYNAMIC EFFECTS DURING LANDING
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Marcel STERE
2010-03-01
Full Text Available The landing gear of an aircraft is part of the aircraft structure. It is the most critical part of the flight mission and also the component that will likely cause the most problems in the aircraft design. The landing gear design combines the best in mechanical, structural and hydraulic design. The designed landing gear should be able to meet the specifications and requirements imposed by the CS23. SIMULAND-01 is a program intended to analyze a reduced model (4-30 DoF of the aircraft under transient dynamic loads during the landing phase (touchdown.
Uncertain Dynamics, Correlation Effects, and Robust Investment Decisions
DEFF Research Database (Denmark)
Flor, Christian Riis; Hesel, Søren
2015-01-01
We analyze a firm's investment problem when the dynamics of project value and investment cost are uncertain. We provide an explicit solution using a robust method for an ambiguity averse firm taking this into account. Ambiguity aversion regarding a common risk factor impacts differently than...... ambiguity aversion regarding investment cost residual risk. Correlation between project value and investment cost matters; ambiguity aversion regarding common risk can decrease the investment probability only if correlation is positive. Ambiguity aversion regarding residual risk always increases...... the investment probability. When only project value is risky, volatility can monotonically decrease the investment threshold; this does not hold with the multiple prior method....
DOES EXPORT OR IMPORT MORE EFFECTIVE ON TURKISH GROWTH DYNAMICS?
Directory of Open Access Journals (Sweden)
M. SERDAR İSPİR
2013-06-01
Full Text Available In this study, the scope of export and import oriented growth hypothesis, export and imports’ contribution to the dynamic of the Turkish GDP Growth have been investigated during the period between 1989 and 2007. According to the diagnoses which are found, export plays a dominant role while the economy is shifting from ressesion mode to expanding period. In order to continue this process, export and import together provides a great amount of contribution, while the contributions of export and import tend to decrease during the expanding period.
Directory of Open Access Journals (Sweden)
Weitong Chen
2016-11-01
Full Text Available This paper presents a cost-effectiveness comparison of coupler designs for wireless power transfer (WPT, meant for electric vehicle (EV dynamic charging. The design comparison of three common types of couplers is first based on the raw material cost, output power, transfer efficiency, tolerance of horizontal offset, and flux density. Then, the optimal cost-effectiveness combination is selected for EV dynamic charging. The corresponding performances of the proposed charging system are compared and analyzed by both simulation and experimentation. The results verify the validity of the proposed dynamic charging system for EVs.
Critical Dynamics of Burst Instabilities in the Portevin-Le Chatelier Effect
International Nuclear Information System (INIS)
D'Anna, Gianfranco; Nori, Franco
2000-01-01
We investigate the Portevin-Le Chatelier effect (PLC), by compressing Al-Mg alloys in a very large deformation range, and interpret the results from the viewpoint of phase transitions and critical phenomena. The system undergoes two dynamical phase transitions between intermittent (or ''jerky'') and ''laminar'' plastic dynamic phases. Near these two dynamic critical points, the order parameter 1/τ of the PLC effect exhibits large fluctuations, and ''critical slowing down'' (i.e., the number τ of bursts, or plastic instabilities, per unit time slows down considerably)
Effect of Nondissipative Terms in Dynamical Phases of Vortex Matter in a Periodic Pinning Array
Arovas, Daniel
2000-03-01
The zero temperature dynamical phases of driven vortex lattices [1] are reconsidered, introducing a nondynamical term (proportional to the sine of the Hall angle) into the equations of motion. While such a term does not affect the static thermodynamic phases of the system, it may have a profound effect on the dynamics. We find that finite Hall angle tends to reduce the effect of pinning in certain dynamical phases. [1] C. Reichhardt, C. J. Olson, and F. Nori, Phys. Rev. B 58, 6534, 1998.
Dynamic Levels in Classical and Romantic Keyboard Music: Effect of Musical Mode
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Olivia Ladinig
2010-08-01
Full Text Available An analysis of dynamic markings in 140 works representing three musical periods (Classical, early Romantic, late Romantic is reported. We tested the hypothesis that minor-mode music from the Romantic period is more likely to exhibit louder dynamic levels than minor-mode music from the Classical period. This hypothesis was motivated by the theory that in the Romantic period, in addition to conveying sadness, the minor mode was more likely to be used to convey affects that are associated with higher dynamic levels, such as seriousness, passion or aggression. Our analysis showed no absolute differences regarding the notated dynamic levels of the minor-mode pieces. However, regardless of the musical mode, pieces from the earlier period exhibited higher dynamic levels than pieces from the later periods. This effect is attributable to a decrease in dynamics for major-mode pieces in later musical periods, while minor-mode pieces do not show a change in dynamics over time. Using the mean dynamic level for each period as a reference, these observations are consistent with the theory that Romantic music is more likely than Classical music to employ the minor mode to represent or convey affects that are associated with higher dynamic levels.
Effect Analysis of Service Supply Chain with Dynamic Game under the Condition of Sensitive Demand
Directory of Open Access Journals (Sweden)
Guanglan Zhou
2015-01-01
Full Text Available Under the real circumstances of service supply chain, there is one demand appearing as the sensitive feature, to face the increasing uncertainty. It could be elaborated upon the decision variables such as price, quantity, and efforts. The member behaviors are operated and coordinated in the process of multiperiod dynamic game. Based on the multiperiod dynamic game theory, the service demand and price, quantity of goods, and efforts of members in the secondary service supply chain are considered. The paper discusses the reputation effect and ratchet effect in the multiperiod dynamic game service supply chain. Additionally, the paper describes this problem, builds a programming model based on the multiperiod dynamic game, and deduces the optimal solution. Furthermore, the paper analyzes the impact of reputation effect and ratchet effect on the agent’s revenue. Through the simulation, it is found that the agency efforts are a combination result of reputation effect and ratchet effect in the process of multiperiod dynamic game. Through the long-term dynamic game, the short-term moral risk in service supply chain can be restrained so that the result under the asymmetric information is the same as that under the complete information.
Dynamic investigation of a locomotive with effect of gear transmissions under tractive conditions
Chen, Zaigang; Zhai, Wanming; Wang, Kaiyun
2017-11-01
Locomotive is used to drag trailers to move or supply the braking forces to slow the running speed of a train. The electromagnetic torque of the motor is always transmitted by the gear transmission system to the wheelset for generation of the tractive or braking forces at the wheel-rail contact interface. Consequently, gear transmission system is significant for power delivery of a locomotive. This paper develops a comprehensive locomotive-track vertical-longitudinal coupled dynamics model with dynamic effect of gear transmissions. This dynamics model enables considering the coupling interactions between the gear transmission motion, the vertical and the longitudinal motions of the vehicle, and the vertical vibration of the track structure. In this study, some complicated dynamic excitations, such as the gear time-varying mesh stiffness, nonlinear gear tooth backlash, the nonlinear wheel-rail normal contact force and creep force, and the rail vertical geometrical irregularity, are considered. Then, the dynamic responses of the locomotive under the tractive conditions are demonstrated by numerical simulations based on the established dynamics model and by experimental test. The developed dynamics model is validated by the good agreement between the experimental and the theoretical results. The calculated results reveal that the gear transmission system has strong dynamic interactions with the wheel-rail contact interface including both the vertical and the longitudinal motions, and it has negligible effect on the vibrations of the bogie frame and carbody.
Nucleotide effects on the structure and dynamics of actin.
Zheng, Xiange; Diraviyam, Karthikeyan; Sept, David
2007-08-15
Adenosine 5'-triphosphate or ATP is the primary energy source within the cell, releasing its energy via hydrolysis into adenosine 5'-diphosphate or ADP. Actin is an important ATPase involved in many aspects of cellular function, and the binding and hydrolysis of ATP regulates its polymerization into actin filaments as well as its interaction with a host of actin-associated proteins. Here we study the dynamics of monomeric actin in ATP, ADP-Pi, and ADP states via molecular dynamics simulations. As observed in some crystal structures we see that the DNase-I loop is an alpha-helix in the ADP state but forms an unstructured coil domain in the ADP-Pi and ATP states. We also find that this secondary structure change is reversible, and by mimicking nucleotide exchange we can observe the transition between the helical and coil states. Apart from the DNase-I loop, we also see several key structural differences in the nucleotide binding cleft as well as in the hydrophobic cleft between subdomains 1 and 3 where WH2-containing proteins have been shown to interact. These differences provide a structural basis for understanding the observed differences between the various nucleotide states of actin and provide some insight into how ATP regulates the interaction of actin with itself and other proteins.
Dynamic finite size effects in spiking neural networks.
Directory of Open Access Journals (Sweden)
Michael A Buice
Full Text Available We investigate the dynamics of a deterministic finite-sized network of synaptically coupled spiking neurons and present a formalism for computing the network statistics in a perturbative expansion. The small parameter for the expansion is the inverse number of neurons in the network. The network dynamics are fully characterized by a neuron population density that obeys a conservation law analogous to the Klimontovich equation in the kinetic theory of plasmas. The Klimontovich equation does not possess well-behaved solutions but can be recast in terms of a coupled system of well-behaved moment equations, known as a moment hierarchy. The moment hierarchy is impossible to solve but in the mean field limit of an infinite number of neurons, it reduces to a single well-behaved conservation law for the mean neuron density. For a large but finite system, the moment hierarchy can be truncated perturbatively with the inverse system size as a small parameter but the resulting set of reduced moment equations that are still very difficult to solve. However, the entire moment hierarchy can also be re-expressed in terms of a functional probability distribution of the neuron density. The moments can then be computed perturbatively using methods from statistical field theory. Here we derive the complete mean field theory and the lowest order second moment corrections for physiologically relevant quantities. Although we focus on finite-size corrections, our method can be used to compute perturbative expansions in any parameter.
Effects of material properties on soft contact dynamics
International Nuclear Information System (INIS)
Khurshid, A.; Malik, M.A.; Ghafoor, A.
2009-01-01
The superiority of deformable human fingertips as compared to hard robot gripper fingers for grasping and manipulation has led to a number of investigations with robot hands employing elastomers or materials such as fluids or powders beneath a membrane at the fingertips. In this paper, to analyze the stability of dynamic control of an object grasped between two soft fingertips through a soft interface using the viscoelastic material between the manipulating fingers and a manipulated object is modeled through bond graph method (BGM). The fingers are made viscoelastic by using springs and dampers. Detailed bond graph modeling (BGM) of the contact phenomenon with two soft-finger contacts considered to be placed against each other on the opposite sides of the grasped object as is generally the case in a manufacturing environment is presented. The stiffness of the springs is exploited in order to achieve the stability in the soft-grasping which includes friction between the soft finger contact surfaces and the object, The paper also analyses stability of dynamic control through a soft interface between a manipulating finger and a manipulated object. It is shown in the paper that the system stability depends on the visco-elastic material properties of the soft interface. Method of root locus is used to analyze this phenomenon. The paper shows how the weight of the object coming downward is controlled by the friction between the fingers and the object during the application of contact forces by varying the damping and the stiffness in the soft finger. (author)
Effects of dynamic response time in an evolving market
Zhong, Li-Xin; Qiu, Tian; Chen, Bi-Hui; Liu, Cai-Feng
2009-03-01
Considering the time scales of global information and personal reaction, we study the role of dynamic response time in the evolution of collective behavior in an evolving market. The insensitiveness to the market information makes the population cluster around a kind of extreme behavior, in which they always follow what happened last time, while a sensitive population tends to self-segregate into opposing groups. The average success rate R among all the agents is found to have a nonmonotonic dependence on the time scale parameter q. There exists a critical value below (above) which R decreases (increases) with the rise of q. Theoretical analyses demonstrate that the higher efficiency found in the market with an insensitive population is related to its predictability. In such a predictable market, the agents following current prediction have a higher winning probability than those rejecting it. Analytical calculations are in good agreement with numerical data.
Effects of superficial gas velocity on process dynamics in bioreactors
Devi, T. T.; Kumar, B.
2014-06-01
Present work analyzes the flow hydrodynamics and mass transfer mechanisms in double Rushton and CD-6 impeller on wide range (0.0075-0.25 m/s) of superficial gas velocity ( v g) in a gas-liquid phase bioreactor by employing computational fluid dynamics (CFD) technique. The volume averaged velocity magnitude and dissipation rate are found higher with increasing superficial gas velocity. Higher relative power draw ( P g/ P 0) is predicted in CD-6 than the Rushton impeller but no significant difference in volume averaged mass transfer coefficient ( k L a) observed between these two types of impeller. The ratio of power draw with mass transfer coefficient has been found higher in CD-6 impeller (25-50 %) than the Rushton impeller.
Effects of semiclassical spiral fluctuations on hole dynamics
Hamad, I. J.; Manuel, L. O.; Trumper, A. E.
2012-01-01
We investigate the dynamics of a single hole coupled to the spiral fluctuations related to the magnetic ground states of the antiferromagnetic J1-J2-J3 Heisenberg model on a square lattice. Using exact diagonalization on finite size clusters and the self-consistent Born approximation in the thermodynamic limit, we find, as a general feature, a strong reduction of the quasiparticle weight along the spiral phases of the magnetic phase diagram. For an important region of the Brillouin zone the hole spectral functions are completely incoherent, whereas at low energies the spectral weight is redistributed on several irregular peaks. We find a characteristic value of the spiral pitch Q=(0.7,0.7)π, for which the available phase space for hole scattering is maximum. We argue that this behavior is due to the nontrivial interference of the magnon-assisted and the free-hopping mechanism for hole motion, characteristic of a hole coupled to semiclassical spiral fluctuations.
Effects of finite size on spin glass dynamics
Sato, Tetsuya; Komatsu, Katsuyoshi
2010-12-01
In spite of comprehensive studies to clarify a variety of interesting phenomena of spin glasses, their understanding has been insufficiently established. To overcome such a problem, fabrication of a mesoscopic spin glass system, whose dynamics can be observed over the entire range to the equilibrium, is useful. In this review the challenges of research that has been performed up to now in this direction and our recent related studies are introduced. We have established to study the spin glass behaviour in terms of droplet picture using nanofabricated mesoscopic samples to some extent, but some problems that should be clarified have been left. Finally, the direction of some new studies is proposed to solve the problems.
Dynamic energy budget approach to evaluate antibiotic effects on biofilms
Birnir, Bjorn; Carpio, Ana; Cebrián, Elena; Vidal, Perfecto
2018-01-01
Quantifying the action of antibiotics on biofilms is essential to devise therapies against chronic infections. Biofilms are bacterial communities attached to moist surfaces, sheltered from external aggressions by a polymeric matrix. Coupling a dynamic energy budget based description of cell metabolism to surrounding concentration fields, we are able to approximate survival curves measured for different antibiotics. We reproduce numerically stratified distributions of cell types within the biofilm and introduce ways to incorporate different resistance mechanisms. Qualitative predictions follow that are in agreement with experimental observations, such as higher survival rates of cells close to the substratum when employing antibiotics targeting active cells or enhanced polymer production when antibiotics are administered. The current computational model enables validation and hypothesis testing when developing therapies.
Dynamical 3-Space: Gravitational Wave Detection and the Shnoll Effect
Directory of Open Access Journals (Sweden)
Rothall D. P.
2013-10-01
Full Text Available Shnoll has investigated the non-Poisson scatter of rate measurements in various phenomena such as biological and chemical reactions, radioactive decay, photodiode current leakage and germanium semiconductor noise, and attributed the scatter to cosmophysical factors. While Shnoll didn’t pinpoint the nature of the cosmophysical factors the Process Physics model of reality leads to a description of space, which is dynamic and fractal and exhibits reverberation eects, and which oers an explanation for the scattering anomaly. The work presented here shows a new way of generating the eects Shnoll discovered, through studying the phase dierence of RF EM waves travelling through a dual coaxial cable Gravitational Wave Detector experiment.
Continuous Trading Dynamically Effectively Complete Market with Heterogeneous Beliefs
DEFF Research Database (Denmark)
Qin, Zhenjiang
In a framework of heterogeneous beliefs, I investigate a two-date consumption model with continuous trading over the interval [0; T], in which information on the aggregate consumption at time T is revealed by an Ornstein-Uhlenbeck Bridge. This information structure allows investors to speculate o...... a sufficient statistic for computation of the price of redundant dividend derivative and the equilibrium portfolios. The investors form their Pareto optimal trading strategies as if they intend to dynamically endogenously replicate the value of the dividend derivative....... with respect to the aggregate consumption. With normally distributed dividend, the equilibrium stock price is endogenized in a Radner equilibrium as a precision weighted average of the investors’ posterior mean minus a risk premium determined by the average posterior precision. The stock price is also...
The effect of grain size on dynamic tensile extrusion behaviour
Directory of Open Access Journals (Sweden)
Park Leeju
2015-01-01
Full Text Available Dynamic tensile extrusion (DTE tests were conducted on coarse grained and ultrafine grained (UFG OFHC Cu, Interstitial free (IF Steel, and pure Ta. Equal channel angular pressing (ECAP of 16passes with Bc for Cu, IF Steel and 4 passes for Ta was employed to fabricated UFG materials. DTE tests were carried out by launching the sphere samples (Dia. 7.62 mm to the conical extrusion die at a speed of ∼500 m/sec. The fragmentation behavior of the soft-recovered fragments were examined and compared with each other. The DTE fragmentation behavior of CG and UFG was numerically simulated by the LS-DYNA FEM code.
Dynamic Flow Impacts Cell-Particle Interactions: Sedimentation and Particle Shape Effects.
Björnmalm, Mattias; Faria, Matthew; Chen, Xi; Cui, Jiwei; Caruso, Frank
2016-10-17
The interaction of engineered particles with biological systems determines their performance in biomedical applications. Although standard static cell cultures remain the norm for in vitro studies, modern models mimicking aspects of the dynamic in vivo environment have been developed. Herein, we investigate fundamental cell-particle interactions under dynamic flow conditions using a simple and self-contained device together with standard multiwell cell culture plates. We engineer two particle systems and evaluate their cell interactions under dynamic flow, and we compare the results to standard static cell cultures. We find substantial differences between static and dynamic flow conditions and attribute these to particle shape and sedimentation effects. These results demonstrate how standard static assays can be complemented by dynamic flow assays for a more comprehensive understanding of fundamental cell-particle interactions.
International Nuclear Information System (INIS)
Kinoshita, Takehiro; Fujiyama, Shinya; Idogaki, Toshihiro; Tokita, Masahiko
2009-01-01
The non-equilibrium phase transition in a ferromagnetic Ising model is investigated by use of a new type of effective field theory (EFT) which correctly accounts for all the single-site kinematic relations by differential operator technique. In the presence of a time dependent oscillating external field, with decrease of the temperature the system undergoes a dynamic phase transition, which is characterized by the period averaged magnetization Q, from a dynamically disordered state Q = 0 to the dynamically ordered state Q ≠ 0. The results of the dynamic phase transition point T c determined from the behavior of the dynamic magnetization and the Liapunov exponent provided by EFT are improved than that of the standard mean field theory (MFT), especially for the one dimensional lattice where the standard MFT gives incorrect result of T c = 0 even in the case of zero external field.
Modeling Dynamic Food Choice Processes to Understand Dietary Intervention Effects.
Marcum, Christopher Steven; Goldring, Megan R; McBride, Colleen M; Persky, Susan
2018-02-17
Meal construction is largely governed by nonconscious and habit-based processes that can be represented as a collection of in dividual, micro-level food choices that eventually give rise to a final plate. Despite this, dietary behavior intervention research rarely captures these micro-level food choice processes, instead measuring outcomes at aggregated levels. This is due in part to a dearth of analytic techniques to model these dynamic time-series events. The current article addresses this limitation by applying a generalization of the relational event framework to model micro-level food choice behavior following an educational intervention. Relational event modeling was used to model the food choices that 221 mothers made for their child following receipt of an information-based intervention. Participants were randomized to receive either (a) control information; (b) childhood obesity risk information; (c) childhood obesity risk information plus a personalized family history-based risk estimate for their child. Participants then made food choices for their child in a virtual reality-based food buffet simulation. Micro-level aspects of the built environment, such as the ordering of each food in the buffet, were influential. Other dynamic processes such as choice inertia also influenced food selection. Among participants receiving the strongest intervention condition, choice inertia decreased and the overall rate of food selection increased. Modeling food selection processes can elucidate the points at which interventions exert their influence. Researchers can leverage these findings to gain insight into nonconscious and uncontrollable aspects of food selection that influence dietary outcomes, which can ultimately improve the design of dietary interventions.
Exoplanetary System Dynamics: Planetary Multiplicity and Mass Effects
Isoe, Mari; Kokubo, Eiichiro; Turner, Edwin
2015-12-01
Recently numerous systems consisting of multiple exoplanets have been discovered. Using a dataset of 375 systems (500 planets) discovered by the radial velocity method and 365 systems (899 planets) containing planet candidates found by the Kepler Mission, we investigate the dependence of the dynamical structure of planetary systems on their multiplicity and the masses of the member planets. We classify the planetary system by three parameters: planetary multiplicity, planetary mass, and the evolutionary stage of the central star. We normalize planetary masses by the mass of the central star and divide the planets into small and large categories by a cut at $10^{-4}$. The central star is classified into main-sequence or giant according to its evolutionary stage. We focus on the angular momentum deficit (AMD) of the systems and the orbital separation between adjacent planets normalized by their Hill radii. We find that in all categories the system AMD decreases with increasing multiplicity. This suggests that in order for multiple systems to be stable, each planet's orbit must be relatively circular. In addition, we find that the distribution of orbital eccentricities of the massive planets and low-mass planets differs. In particular, only high-mass planets have eccentricities larger than 0.4. In the low-mass systems around main sequence stars, we find that the orbital separation decreases with increasing multiplicity. In addition, the orbital separation around main-sequence stars is wider than that around giants. Furthermore, the minimum orbital separation is about 6.4 for non-resonant pairs. This paper presents the statistical properties of the dynamical structure of multiple planetary systems and discusses their formation.
Office task effects on comfort and body dynamics in five dynamic office chairs
Groenesteijn, L.; Ellegast, R.P.; Keller, K.; Krause, F.; Berger, H.; Looze, M.P.de
2012-01-01
In the present study, we investigated the effect of office tasks on posture and movements in field settings, and the comfort rating for chair characteristics and correlation with type of task. The tasks studied were: computer work, telephoning, desk work and conversation. Postures, movements, chair
Energy Technology Data Exchange (ETDEWEB)
Deviren, Bayram [Department of Physics, Nevsehir University, 50300 Nevsehir (Turkey); Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.t [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)
2010-07-12
Dynamic aspects of a two-sublattice Ising metamagnet on honeycomb, square and hexagonal lattices under the presence of a time-dependent oscillating external magnetic field are studied by using the effective-field theory with correlations. The set of effective-field dynamic equations is derived by employing Glauber transition rates. The phases in the system are obtained by solving these dynamic equations. The thermal behavior of the dynamic staggered magnetization, the hysteresis loop area and correlation are investigated in order to characterize the nature of the dynamic transitions and to obtain dynamic phase transition temperatures. The phase diagrams are constructed in two different planes, and exhibit dynamic tricritical behavior, which strongly depends on interaction parameters. In order to investigate the spin correlation effect on the dynamic phase diagrams of the system, the results are also given within the framework of the dynamic mean-field approximation.
International Nuclear Information System (INIS)
Deviren, Bayram; Keskin, Mustafa
2010-01-01
Dynamic aspects of a two-sublattice Ising metamagnet on honeycomb, square and hexagonal lattices under the presence of a time-dependent oscillating external magnetic field are studied by using the effective-field theory with correlations. The set of effective-field dynamic equations is derived by employing Glauber transition rates. The phases in the system are obtained by solving these dynamic equations. The thermal behavior of the dynamic staggered magnetization, the hysteresis loop area and correlation are investigated in order to characterize the nature of the dynamic transitions and to obtain dynamic phase transition temperatures. The phase diagrams are constructed in two different planes, and exhibit dynamic tricritical behavior, which strongly depends on interaction parameters. In order to investigate the spin correlation effect on the dynamic phase diagrams of the system, the results are also given within the framework of the dynamic mean-field approximation.
On metal-insulator transition in cubic fullerides
Iwahara, Naoya; Chibotaru, Liviu
The interplay between degenerate orbital and electron correlation is a key to characterize the electronic phases in, for example, transition metal compounds and alkali-doped fullerides. Besides, the degenerate orbital couples to spin and lattice degrees of freedom ,giving rise to exotic phenomena. Here, we develop the self-consistent Gutzwiller approach for the simultaneous treatment of the Jahn-Teller effect and electron correlation, and apply the methodology to reveal the nature of the ground electronic state of fullerides. For small Coulomb repulsion on site U, the fulleride is quasi degenerate correlated metal. With increase of U, we found the quantum phase transition from the metallic phase to JT split phase. In the latter, the Mott transition (MT) mainly develops in the half-filled subband, whereas the empty and the completely filled subbands are almost uninvolved. Therefore, we can qualify the metal-insulator transition in fullerides as an orbital selective MT induced by JT effect.
Static and dynamic effective stress coefficient of chalk
DEFF Research Database (Denmark)
Alam, M. Monzurul; Fabricius, Ida Lykke; Christensen, Helle Foged
2012-01-01
Deformation of a hydrocarbon reservoir can ideally be used to estimate the effective stress acting on it. The effective stress in the subsurface is the difference between the stress due to the weight of the sediment and a fraction (effective stress coefficient) of the pore pressure. The effective...... stress coefficient is thus relevant for studying reservoir deformation and for evaluating 4D seismic for the correct pore pressure prediction. The static effective stress coefficient n is estimated from mechanical tests and is highly relevant for effective stress prediction because it is directly related...... with differential stress (overburden stress-pore pressure). For Valhall reservoir chalk with 40% porosity, α ranges between 0.98 and 0.85 and decreases by 10% if the differential stress is increased by 25 MPa. In contrast, for chalk with 15% porosity from the same reservoir, α ranges between 0.85 and 0...
Denisov, Dmitry V.; Lőrincz, Kinga A.; Wright, Wendelin J.; Hufnagel, Todd C.; Nawano, Aya; Gu, Xiaojun; Uhl, Jonathan T.; Dahmen, Karin A.; Schall, Peter
2017-03-01
Slowly strained solids deform via intermittent slips that exhibit a material-independent critical size distribution. Here, by comparing two disparate systems - granular materials and bulk metallic glasses - we show evidence that not only the statistics of slips but also their dynamics are remarkably similar, i.e. independent of the microscopic details of the material. By resolving and comparing the full time evolution of avalanches in bulk metallic glasses and granular materials, we uncover a regime of universal deformation dynamics. We experimentally verify the predicted universal scaling functions for the dynamics of individual avalanches in both systems, and show that both the slip statistics and dynamics are independent of the scale and details of the material structure and interactions, thus settling a long-standing debate as to whether or not the claim of universality includes only the slip statistics or also the slip dynamics. The results imply that the frictional weakening in granular materials and the interplay of damping, weakening and inertial effects in bulk metallic glasses have strikingly similar effects on the slip dynamics. These results are important for transferring experimental results across scales and material structures in a single theory of deformation dynamics.
Dey, Snigdhadip; Joshi, Amitabh
2013-01-01
Constant immigration can stabilize population size fluctuations but its effects on extinction remain unexplored. We show that constant immigration significantly reduced extinction in fruitfly populations with relatively stable or unstable dynamics. In unstable populations with oscillations of amplitude around 1.5 times the mean population size, persistence and constancy were unrelated. Low immigration enhanced persistence without affecting constancy whereas high immigration increased constancy without enhancing persistence. In relatively stable populations with erratic fluctuations of amplitude close to the mean population size, both low and high immigration enhanced persistence. In these populations, the amplitude of fluctuations relative to mean population size went down due to immigration, and their dynamics were altered to low-period cycles. The effects of immigration on the population size distribution and intrinsic dynamics of stable versus unstable populations differed considerably, suggesting that the mechanisms by which immigration reduced extinction risk depended on underlying dynamics in complex ways. PMID:23470546
Directory of Open Access Journals (Sweden)
N.B. Naduvinamani
2017-05-01
Full Text Available The effect of couple stresses on static and dynamic characteristics of exponential slider bearing in the presence of magnetic field considering squeeze action is theoretically analyzed in this paper. The modified magnetohydrodynamic couple stress Reynolds type equation is derived on the basis of Stokes couple stress model and closed form expressions are obtained for static and dynamic character coefficients. Comparing with bearing lubricated with non-conducting Newtonian lubricants, the magnetohydrodynamic couple stress lubrication provides the higher steady load carrying capacity, dynamic stiffness and damping coefficient. The exponential bearing shows higher efficiency for small film thickness at higher value of couple stress parameter and Hartmann number.
Self-consistent treatment of spin and magnetization dynamic effect in spin transfer switching
International Nuclear Information System (INIS)
Guo Jie; Tan, Seng Ghee; Jalil, Mansoor Bin Abdul; Koh, Dax Enshan; Han, Guchang; Meng, Hao
2011-01-01
The effect of itinerant spin moment (m) dynamic in spin transfer switching has been ignored in most previous theoretical studies of the magnetization (M) dynamics. Thus in this paper, we proposed a more refined micromagnetic model of spin transfer switching that takes into account in a self-consistent manner of the coupled m and M dynamics. The numerical results obtained from this model further shed insight on the switching profiles of m and M, both of which show particular sensitivity to parameters such as the anisotropy field, the spin torque field, and the initial deviation between m and M.
Effects of Dynamic and Static Stretching Within General and Activity Specific Warm-Up Protocols
Samson, Michael; Button, Duane C.; Chaouachi, Anis; Behm, David G.
2012-01-01
The purpose of the study was to determine the effects of static and dynamic stretching protocols within general and activity specific warm-ups. Nine male and ten female subjects were tested under four warm-up conditions including a 1) general aerobic warm-up with static stretching, 2) general aerobic warm-up with dynamic stretching, 3) general and specific warm-up with static stretching and 4) general and specific warm-up with dynamic stretching. Following all conditions, subjects were tested...
Strategic planning for organizational effectiveness during dynamic change.
Carlson, Susan L; Harris, Melodee; McLeskey, Nanci
2013-01-01
The leadership of a professional association is charged with developing a strategic plan to operationalize the organization's goals, tactics, and progress. Within the context of its values and goals, a strategic plan steers the organization toward its mission. While there are a variety of models and approaches used in strategic planning, the National Gerontological Nursing Association (NGNA) has historically used goal-based methodology. This method is congruent with the organization's leadership preferences, consistent with the mission-driven culture of the organization, and collaborative in its approach. In 2009 the NGNA Board of Directors initiated a plan for the organization's transformation to a more dynamic and member-driven association through a deliberate process. This article addresses the process used to arrive at the 2010–2011 NGNA strategic initiatives, including a discussion of pertinent data revealed in the 2011 needs assessment survey and NGNA's future initiatives focused on networking, communication, and membership benefits. This process is relevant for all organizations and groups seeking improvement in serving their constituents.
The effect of shockwave profile shape on dynamic brittle failure
Directory of Open Access Journals (Sweden)
Gray G.T.
2012-08-01
Full Text Available The role of shock wave loading profile is investigated for the failure processes in a brittle material. The dynamic damage response of ductile metals has been demonstrated to be critically dependent on the shockwave profile and the stress-state of the shock. Changing from a square to triangular (Taylor profile with an identical peak compressive stress has been reported to increase the “spall strength” by over a factor of two and suppress damage mechanisms. The spall strength of tungsten heavy alloy (WHA based on plate impact square-wave loading has been extensively reported in the literature. Here a triangular wave loading profile is achieved with a composite flyer plate of graded density in contrast to the square-wave loading. Counter to the strong dependence in wave profile in ductile metals, for WHA, both square and triangle wave profiles the failure is by brittle cleavage fracture with additional energy dissipation through crack branching in the more brittle tungsten particles, largely indistinguishable between wave profiles. The time for crack nucleation is negligible compared to the duration of the experiment and the crack propagation rate is limited to the sound speed as defined by the shock velocity.
Plasticity Effects in Dynamically Loaded Nickel Aluminide Bicrystals
Energy Technology Data Exchange (ETDEWEB)
Loomis, E; Swift, D; McNaney, J; Lorenzana, H; Peralta, P
2008-12-02
Elastic and plastic anisotropy are believed to play large roles in the dynamic deformation of many materials at the grain-level. More importantly to polycrystalline materials is how velocity and stress perturbations are transmitted across interfaces in anisotropic materials. Very little work has been done in this area even though it is important for understanding shock/grain boundary interactions. Therefore, experiments have been performed using nanosecond laser shocks of grown Nickel Aluminide bicrystals at tens of GPa. Velocity histories were measured along a line on the back (free) surface of the bicrystals and used to characterize the material behavior. Unstable plastic flow in <100> grains was seen to occur when loaded above 700 m/s free surface velocity. Flow stresses in <111> and <100> grains were measured to be 2.9 and 3.3 GPa, respectively. Calculations were performed based on anisotropic elasticity and dislocation motion on primary slip systems to measure plastic flow properties where plastic strain-rates on the order of 10{sup 6} s{sup -1} were calculated using the experimental velocity histories. Definitive evidence of plastic wave scattering at the grain boundary was not observed experimentally; however, behavior across the grain boundary has been measured. The observations show that a smooth transition occurs between the elastic precursors in both grains as well as the plastic waves (when plastic flow is evident). An anisotropic elastic-plastic wave scattering model has been developed to explain the mechanisms affecting shock/grain boundary interactions.
Long time dynamics of von Karman evolutions with thermal effects
Directory of Open Access Journals (Sweden)
Irena Lasiecka
2007-11-01
Full Text Available This paper presents a short survey of recent results pertaining tostability and long time behavior of von Karman thermoelastic plates. Questions such as uniform stability - and associated exponential decay rates for the energy function, existence of attractors in the case of internally/externally forced plates along with properties of attractors such as smoothness and dimensionality will be presented. The model considered consists of undamped oscillatory plate equationstrongly coupled with heat equation. There are no other sources of dissipation. Nevertheless it will be shown that that the long-time behavior of the nonlinear evolution is ultimately finite dimensional and "smooth". In addition, the obtained estimate for the dimension and the size of the attractor are independent of the rotational inertia parameter °, which is known to change the character of dynamics from hyperbolic (gamma > 0 to parabolic like (gamma = 0. Other properties such as additional smoothness of attractors, upper-semicontinuity with respect to parameter gamma and existence of inertial manifolds are also presented.
Ligands of low electronegativity in the vsepr model: the structures of singlet carbenes
Cuthbertson, Alastair F.; Glidewell, Christopher
Equilibrium structures and force constants for skeletal bending from linearity have been calculated, in the MNDO approximation, for twenty five singlet carbenes CX 2. When the substituent X bears neither vacant orbitais nor lone pairs, the force constant becomes steadily more negative as the electronegativity of X increases; when X bears vacant orbitais, the C-X π bond order and the force constant both increase with the electronegativity of X. When X bears lone pairs, the force constant parallels the HOMO-LUMO gap at linearity. Previous discussions of the structures of singlet carbenes are shown to be inadequate: the reported results support the interpretation in terms of the second-order Jahn-Teller effect of the observed stereochemical inactivity of lone pairs in the presence of ligands of low electronegativity.
Optical properties of 3d-ions in crystals spectroscopy and crystal field analysis
Brik, Mikhail
2013-01-01
"Optical Properties of 3d-Ions in Crystals: Spectroscopy and Crystal Field Analysis" discusses spectral, vibronic and magnetic properties of 3d-ions in a wide range of crystals, used as active media for solid state lasers and potential candidates for this role. Crystal field calculations (including first-principles calculations of energy levels and absorption spectra) and their comparison with experimental spectra, the Jahn-Teller effect, analysis of vibronic spectra, materials science applications are systematically presented. The book is intended for researchers and graduate students in crystal spectroscopy, materials science and optical applications. Dr. N.M. Avram is an Emeritus Professor at the Physics Department, West University of Timisoara, Romania; Dr. M.G. Brik is a Professor at the Institute of Physics, University of Tartu, Estonia.
Experimental elucidation: microscopic mechanism of resonant X-ray scattering in manganite films
Ohsumi, H; Kiyama, T
2003-01-01
Resonant X-ray scattering experiments have been performed on perovskite manganite La sub 0 sub . sub 5 Sr sub 0 sub . sub 5 MnO sub 3 thin films, which are grown on three distinct perovskite with a coherent epitaxial strain and have a forced ferro-type orbital ordering of Mn 3d orbitals. Using an interference technique, we have successfully observed the resonant X-ray scattering signal from the system having the ferro-type orbital ordering and also revealed the energy scheme of Mn 4p bands. For the forced ferro-type orbital ordering system, the present results evidence that the resonant X-ray scattering signal originates from the band structure effect due to the Jahn-Teller distortion of a MnO sub 6 octahedron, and not from the Coulomb interaction between 3d and 4p electrons. (author)
Energy Technology Data Exchange (ETDEWEB)
Wang, Xue B.; Woo, Hin-koon; Wang, Lai S.
2005-08-01
We demonstrate vibrational cooling of anions via collisions with a background gas in an ion trap attached to a cryogenically controlled cold head (10 ? 400 K). Photoelectron spectra of vibrationally cold C60- anions, produced by electrospray ionization and cooled in the cold ion trap, have been obtained. Relative to spectra taken at room temperature, vibrational hot bands are completely eliminated, yielding well resolved vibrational structures and a more accurate electron affinity for neutral C60. The electron affinity of C60 is measured to be 2.683 ? 0.008 eV. The cold spectra reveal complicated vibrational structures for the transition to the C60 ground state due to the Jahn-Teller effect in the ground state of C60-. Vibrational excitations in the two Ag modes and eight Hg modes are observed, providing ideal data to assess the vibronic couplings in C60-.
Band and percolation approaches to low temperature properties of manganites
Energy Technology Data Exchange (ETDEWEB)
Gor' kov, L.P. (Florida State Univ., Tallahassee, FL (United States). National High Magnetic Field Lab. L.D. Landau Inst. for Theoretical Physics (Russian Federation)); Kresin, V.Z. (Lawrence Berkeley Lab., CA (United States))
1998-12-20
Properties of the parent compound, LaMnO[sub 3] are greatly affected by strong Hund's coupling. Assuming the antiferromagnetic ordering (with a low Neel temperature) along one of the cubic axes, this coupling would result in formation of disconnected ferromagnetic layers. Furthermore, in the presence of the cooperative Jahn-Teller effect the compound becomes a band insulator. At small doping (La[sub 1[minus]x]Ca[sub x]MnO[sub 3], x [much lt] 1) the band insulator phase coexists with the presence of localized holes. An insulator-ferromagnetic metal transition occurs at the percolation point x[sub c] = 0.16.
Displacement disorder and reconstruction of the (001) face of tungsten
International Nuclear Information System (INIS)
Egorushkin, V.E.; Kul'ment'ev, A.I.; Savushkin, E.V.
1992-01-01
The reconstruction of the (001) border of tungsten is examined taking into consideration random static displacements of surface atoms in the high-temperature (1 x 1) phase. A microscopic model is proposed, in which the creation of c(2 x 2) phase is described as a transition of the Jahn-Teller type and an ordering of static displacements. It is shown that displacement disorder induces instability of (001) tungsten with respect to reconstruction. The effect of a uniform electric field on a disordered reconstructing surface is examined. A possible reason is given for pronounced differences in the results of investigations of the structural conversion of the (001) face in tungsten when different experimental methods are used
Guo, Jia-Xing; Wu, Shao-Yi; Kuang, Min-Quan; Peng, Li; Wu, Li-Na
2018-01-01
The local structures and spin Hamiltonian parameters are theoretically studied for Cu2+ in alkaline earth alumino borate (XAB, X = Mg, Ca and Sr) glasses by using the perturbation calculations for tetragonally elongated octahedral 3d9 groups. The [CuO6]10‑ groups are subject to the large relative tetragonal elongation ratios of 15.4%, 13.4% and 13.0% for MgAB, CaAB and SrAB glasses, respectively, arising from the Jahn-Teller effect. The decreasing cubic field parameter Dq, orbital reduction factor k and relative elongation ratio with the increase of the radius of alkaline earth ion X from Mg to Ca or Sr are analyzed for the studied systems in a uniform way.
Lattice Distortion Mediated Paramagnetic Relaxation in High-Spin High-Symmetry Molecular Magnets
Garg, Anupam
1998-08-01
Field-dependent maxima in the relaxation rate of the magnetic molecules Mn12-Ac and Fe8-tacn have commonly been ascribed to some resonant tunneling phenomena. We argue instead that the relaxation is purely due to phonons. The rate maxima arise because of a Jahn-Teller-like distortion caused by the coupling of phonons to degenerate Zeeman levels of the molecule at the top of the barrier. The binding energy of the distorted intermediate states lowers the barrier height and increases the relaxation rate. A nonperturbative calculation of this effect is carried out for a model system. An approximate result for the field variation near a maximum is found to agree reasonably with experiment.
Raman spectroscopic studies of lithium manganates with spinel structure
Julien, C M
2003-01-01
Raman scattering spectra of a set of lithium manganospinels Li sub 1 sub - sub x sub + sub z Mn sub 2 sub - sub z O sub 4 with 0 sup<= x sup<= 1 and 0 sup<= z sup<= 0.33 are reported and analysed. Structural changes have been investigated following the evolution of Raman spectra with the concentration of lithium cations. The local structure was characterized as a function of the mean oxidation state of manganese cations. The trigonal distortion of MnO sub 6 octahedra is evidenced by insertion of lithium ions into the [B sub 2]O sub 4 spinel framework. A comparison with tetragonal Mn sub 3 O sub 4 and Fe sub 3 O sub 4 spinels shows the influence of the Jahn-Teller effect on the Raman features for this class of materials.
Olivine-type cathodes. Achievements and problems
Yamada, Atsuo; Hosoya, Mamoru; Chung, Sai-Cheong; Kudo, Yoshihiro; Hinokuma, Koichiro; Liu, Kuang-Yu; Nishi, Yoshio
The recent progress at Sony in the design of practical olivine-type cathodes is reviewed briefly. First principle calculations revealed LiFePO 4 is a semiconductor with ca. 0.3 eV band gap and LiMnPO 4 is an insulator with ca. 2 eV band gap, which seems the major intrinsic obstacle to a smooth redox reaction at 4 V in the Mn-rich phase. Attention is also focused on the lattice frustration induced by the strong electron (Mn 3+: 3d 4-e gσ ∗)-lattice interaction (Jahn-Teller effect) in the charged state of Li(Mn yFe 1- y)PO 4 (0≤ y≤1). Dense nanocomposite formation with disordered conductive carbon as well as the choice of the appropriate synthetic precursors is highlighted as important engineering aspects, followed by some specific issues concerning tolerance to unusual conditions.
Energy Technology Data Exchange (ETDEWEB)
Jauch, Clemens; Soerensen, Poul; Jensen, Birgitte Bak
2005-06-15
This article describes a methodology to quantify the influence of dynamic stall on transient fault operations of active-stall turbines. The model of the dynamic stall effect is introduced briefly. The behaviour of the dynamic stall model during a transient fault operation is described mathematically, and from this its effect quantified. Two quantities are chosen to describe the influence of the dynamic stall effect: one is active power and the other is time delay. Subsequently a transient fault scenario is simulated with and without the dynamic stall effect and the differences discussed. From this comparison, the conclusion is drawn that the dynamic stall effect has some influence on the post-fault behaviour of the wind turbine, and it is hence suggested that the dynamic stall effect is considered if an active-stall wind turbine is to be modelled realistically. (Author)
Direct and Remote Effects of Topography and Orientation, and the Dynamics of Mesoscale Eddies
2017-09-01
TOPOGRAPHY AND ORIENTATION, AND THE DYNAMICS OF MESOSCALE EDDIES by Larry T. Gulliver September 2017 Thesis Advisor: Timour Radko Second Reader...TYPE AND DATES COVERED Master’s thesis 4. TITLE AND SUBTITLE DIRECT AND REMOTE EFFECTS OF TOPOGRAPHY AND ORIENTATION, AND THE DYNAMICS OF...upper half of the basin and the bottom topography , ii) Analysis of the system response to changes in the zonal and meridional seafloor slope and iii
Tortoise coordinate and Hawking effect in a dynamical Kerr black hole
Yang, Jian; Zhao, Zheng; Liu, Wenbiao
2011-02-01
Hawking effect from a dynamical Kerr black hole is investigated using the improved Damour-Ruffini method with a new tortoise coordinate transformation. Hawking temperature of the black hole can be obtained point by point at the event horizon. It is found that Hawking temperatures of different points on the surface are different. Moreover, the temperature does not turn to zero while the dynamical black hole turns to an extreme one.
Effects of smartphone texting on the visual perception and dynamic walking stability
Lim, Jongil; Chang, Seung Ho; Lee, Jihyun; Kim, Kijeong
2017-01-01
Mobile phone use while walking can cause dual-task interference and increases safety risks by increasing attentional and cognitive demands. While the interference effect on cognitive function has been examined extensively, how perception of the environment and walking dynamics are affected by mobile phone use while walking is not well understood. The amount of visual information loss and its consequent impact on dynamic walking stability was examined in this study. Young adults (mean, 20.3 ye...
Numerical study of self-field effects on dynamics of Josephson-junction arrays
International Nuclear Information System (INIS)
Phillips, J.R.; Van der Zant, H.S.J.; White, J.; Orlando, T.P.
1994-01-01
We consider the influence of self-induced magnetic fields on dynamic properties of arrays of resistively and capacitively shunted Josephson junctions. Self-field effects are modeled by including mutual inductance interactions between every cell in the array. We find that it is important to include all mutual inductance interactions in order to understand the dynamic properties of the array, in particular subharmonic structure arising under AC current bias. (orig.)
Effects of Bracing of High-Rise Buildings upon their Static and Dynamic Behavior
Directory of Open Access Journals (Sweden)
Ivánková Oľga
2014-05-01
Full Text Available The paper describes effects of bracing of high-rise buildings upon their static and dynamic behaviour. In static and dynamic analyses, values of displacement for 4 different variants of stiffening elements distribution were calculated. The calculations were made for building both fixed into the ground and rested on elastic supports. The building was modelled as a 3D variant using Finite Element Method (FEM in program Scia Engineer.
Nuclear dynamical correlation effects in X-ray spectroscopy from a time-domain perspective
Karsten, Sven; Ivanov, Sergei D.; Aziz, Saadullah G.; Bokarev, Sergey I.; Kühn, Oliver
2016-01-01
To date X-ray spectroscopy has become a routine tool that can reveal highly local and element-specific information on the electronic structure of atoms in complex environments. Here, we focus on nuclear dynamical effects in X-ray spectra and develop a rigorous time-correlation method employing ground state molecular dynamics simulations. The importance of nuclear correlation phenomena is demonstrated by comparison against the results from the conventional sampling approach for gas phase water...
Aid effectiveness in the Education Sector: A Dynamic Panel Analysis
Michaelowa, Katharina; Weber, Anke
2007-01-01
Applying the general question of aid effectiveness to the sector of education, this paper provides some evidence for a positive effect of development assistance on primary enrolment and completion. However, even the most optimistic estimates clearly show that at any realistic rate of growth, aid will never be able to move the world markedly closer towards the internationally agreed objective of “Education For All”. Universal primary education requires increased efficiency of educational spend...
Effects of Plectin Depletion on Keratin Network Dynamics and Organization.
Directory of Open Access Journals (Sweden)
Marcin Moch
Full Text Available The keratin intermediate filament cytoskeleton protects epithelial cells against various types of stress and is involved in fundamental cellular processes such as signaling, differentiation and organelle trafficking. These functions rely on the cell type-specific arrangement and plasticity of the keratin system. It has been suggested that these properties are regulated by a complex cycle of assembly and disassembly. The exact mechanisms responsible for the underlying molecular processes, however, have not been clarified. Accumulating evidence implicates the cytolinker plectin in various aspects of the keratin cycle, i.e., by acting as a stabilizing anchor at hemidesmosomal adhesion sites and the nucleus, by affecting keratin bundling and branching and by linkage of keratins to actin filament and microtubule dynamics. In the present study we tested these hypotheses. To this end, plectin was downregulated by shRNA in vulvar carcinoma-derived A431 cells. As expected, integrin β4- and BPAG-1-positive hemidesmosomal structures were strongly reduced and cytosolic actin stress fibers were increased. In addition, integrins α3 and β1 were reduced. The experiments furthermore showed that loss of plectin led to a reduction in keratin filament branch length but did not alter overall mechanical properties as assessed by indentation analyses using atomic force microscopy and by displacement analyses of cytoplasmic superparamagnetic beads using magnetic tweezers. An increase in keratin movement was observed in plectin-depleted cells as was the case in control cells lacking hemidesmosome-like structures. Yet, keratin turnover was not significantly affected. We conclude that plectin alone is not needed for keratin assembly and disassembly and that other mechanisms exist to guarantee proper keratin cycling under steady state conditions in cultured single cells.
Second Cancers After Fractionated Radiotherapy: Stochastic Population Dynamics Effects
Sachs, Rainer K.; Shuryak, Igor; Brenner, David; Fakir, Hatim; Hahnfeldt, Philip
2007-01-01
When ionizing radiation is used in cancer therapy it can induce second cancers in nearby organs. Mainly due to longer patient survival times, these second cancers have become of increasing concern. Estimating the risk of solid second cancers involves modeling: because of long latency times, available data is usually for older, obsolescent treatment regimens. Moreover, modeling second cancers gives unique insights into human carcinogenesis, since the therapy involves administering well characterized doses of a well studied carcinogen, followed by long-term monitoring. In addition to putative radiation initiation that produces pre-malignant cells, inactivation (i.e. cell killing), and subsequent cell repopulation by proliferation can be important at the doses relevant to second cancer situations. A recent initiation/inactivation/proliferation (IIP) model characterized quantitatively the observed occurrence of second breast and lung cancers, using a deterministic cell population dynamics approach. To analyze ifradiation-initiated pre-malignant clones become extinct before full repopulation can occur, we here give a stochastic version of this I I model. Combining Monte Carlo simulations with standard solutions for time-inhomogeneous birth-death equations, we show that repeated cycles of inactivation and repopulation, as occur during fractionated radiation therapy, can lead to distributions of pre-malignant cells per patient with variance >> mean, even when pre-malignant clones are Poisson-distributed. Thus fewer patients would be affected, but with a higher probability, than a deterministic model, tracking average pre-malignant cell numbers, would predict. Our results are applied to data on breast cancers after radiotherapy for Hodgkin disease. The stochastic IIP analysis, unlike the deterministic one, indicates: a) initiated, pre-malignant cells can have a growth advantage during repopulation, not just during the longer tumor latency period that follows; b) weekend
Effects of fluid dynamics on cleaning efficacy of supercritical fluids
Energy Technology Data Exchange (ETDEWEB)
Phelps, M.R.; Willcox, W.A.; Silva, L.J.; Butner, R.S.
1993-03-01
Pacific Northwest Laboratory (PNL) and Boeing Aerospace Company are developing a process to clean metal parts using a supercritical solvent. This work is part of an effort to address issues inhibiting the rapid commercialization of Supercritical Fluid Parts Cleaning (SFPC). PNL assembled a SFPC test stand to observe the relationship between the fluid dynamics of the system and the mass transfer of a contaminant from the surface of a contaminated metal coupon into the bulk fluid. The bench-scale test stand consists of a Berty'' autoclave modified for these tests and supporting hardware to achieve supercritical fluids parts cleaning. Three separate sets of tests were conducted using supercritical carbon dioxide. For the first two tests, a single stainless steel coupon was cleaned with organic solvents to remove surface residue, doped with a single contaminant, and then cleaned in the SFPC test stand. Contaminants studied were Dow Corning 200 fluid (dimethylpolysiloxane) and Castle/Sybron X-448 High-temperature Oil (a polybutane/mineral oil mixture). A set of 5-minute cleaning runs was conducted for each dopant at various autoclave impeller speeds. Test results from the first two sets of experiments indicate that precision cleaning for difficult-to-remove contaminants can be dramatically improved by introducing and increasing turbulence within the system. Metal coupons that had been previously doped with aircraft oil were used in a third set of tests. The coupons were placed in the SFPC test stand and subjected to different temperatures, pressures, and run times at a constant impeller speed. The cleanliness of each part was measured by Optically Stimulated Electron Emission. The third set of tests show that levels of cleanliness attained with supercritical carbon dioxide compare favorably with solvent and aqueous cleaning levels.
Effects of fluid dynamics on cleaning efficacy of supercritical fluids
Energy Technology Data Exchange (ETDEWEB)
Phelps, M.R.; Willcox, W.A.; Silva, L.J.; Butner, R.S.
1993-03-01
Pacific Northwest Laboratory (PNL) and Boeing Aerospace Company are developing a process to clean metal parts using a supercritical solvent. This work is part of an effort to address issues inhibiting the rapid commercialization of Supercritical Fluid Parts Cleaning (SFPC). PNL assembled a SFPC test stand to observe the relationship between the fluid dynamics of the system and the mass transfer of a contaminant from the surface of a contaminated metal coupon into the bulk fluid. The bench-scale test stand consists of a ``Berty`` autoclave modified for these tests and supporting hardware to achieve supercritical fluids parts cleaning. Three separate sets of tests were conducted using supercritical carbon dioxide. For the first two tests, a single stainless steel coupon was cleaned with organic solvents to remove surface residue, doped with a single contaminant, and then cleaned in the SFPC test stand. Contaminants studied were Dow Corning 200 fluid (dimethylpolysiloxane) and Castle/Sybron X-448 High-temperature Oil (a polybutane/mineral oil mixture). A set of 5-minute cleaning runs was conducted for each dopant at various autoclave impeller speeds. Test results from the first two sets of experiments indicate that precision cleaning for difficult-to-remove contaminants can be dramatically improved by introducing and increasing turbulence within the system. Metal coupons that had been previously doped with aircraft oil were used in a third set of tests. The coupons were placed in the SFPC test stand and subjected to different temperatures, pressures, and run times at a constant impeller speed. The cleanliness of each part was measured by Optically Stimulated Electron Emission. The third set of tests show that levels of cleanliness attained with supercritical carbon dioxide compare favorably with solvent and aqueous cleaning levels.
Clinical effects of proton pump inhibitors: Focus on pharmacogenetics, kinetics and dynamics
N.G.M. Hunfeld (Nicole)
2010-01-01
textabstractThis thesis describes the clinical effects of proton pump inhibitors, with focus on pharmacogenetics, kinetics and dynamics. The aims were to investigate the occurence of Rebound Acid Hypersecretion and to investigate the speed of onset, the duration of effect and the difference in
Effects of temporal variation in temperature and density dependence on insect population dynamics
Understanding effects of environmental variation on insect populations is important in light of predictions about increasing future climatic variability. In order to understand the effects of changing environmental variation on population dynamics and life history evolution in insects one would need...
Welte, R; Kretzschmar, M; Leidl, R; Van den Hoek, A; Jager, JC; Postma, MJ
2000-01-01
Background: Models commonly used for the economic assessment of chamydial screening programs do not consider population effects. Goal: To develop a novel dynamic approach for the economic evaluation of chlamydial prevention measures and to determine the cost-effectiveness of a general
Impacts of Wake Effect and Time Delay on the Dynamic Analysis of Wind Farms Models
El-Fouly, Tarek H. M.; El-Saadany, Ehab F.; Salama, Magdy M. A.
2008-01-01
This article investigates the impacts of proper modeling of the wake effects and wind speed delays, between different wind turbines' rows, on the dynamic performance accuracy of the wind farms models. Three different modeling scenarios were compared to highlight the impacts of wake effects and wind speed time-delay models. In the first scenario,…
The effect of dynamic aging on the strain hardening rate of titanium
International Nuclear Information System (INIS)
Monteiro, S.N.; Reed-Hill, R.E.
1974-01-01
A study is made of the effect due to the interaction of solute atoms with mobile dislo cations, known as dynamic aging on the strain hardening characteristics of titanium between 150 and 477K. The results obtained with commercially pure titanium are compared with those obtained using high - purity titanium in order to evaluate the extent of effect [pt
Effect of surface topography upon micro-impact dynamics
International Nuclear Information System (INIS)
Mohammadpour, M; Morris, N J; Leighton, M; Rahnejat, H
2016-01-01
Often the effect of interactions at nano-scale determines the tribological performance of load bearing contacts. This is particularly the case for lightly loaded conjunctions where a plethora of short range kinetic interactions occur. It is also true of larger load bearing conjunctions where boundary interactions become dominant. At the diminutive scale of fairly smooth surface topography the cumulative discrete interactions give rise to the dominance of boundary effects rather than the bulk micro-scale phenomena, based on continuum mechanics. The integration of the manifold localized discrete interactions into a continuum is the pre-requisite to the understanding of characteristic boundary effects, which transcend the physical length scales and affect the key observed system attributes. These are energy efficiency and vibration refinement. This paper strives to present such an approach. It is shown that boundary and near boundary interactions can be adequately described by surface topographical measures, as well the thermodynamic conditions. (paper)
Wiputra, Hadi; Lim, Guat Ling; Chua, Khong Chun; Nivetha, R; Soomar, Sanah Merchant; Biwas, Arijit; Mattar, Citra Nurfarah Zaini; Leo, Hwa Liang; Yap, Choon Hwai
2017-10-01
In both adult human and canine, the cardiac right ventricle (RV) is known to exhibit a peristaltic-like motion, where RV sinus (inflow region) contracts first and the infundibulum (outflow region) later, in a wave-like contraction motion. The delay in contraction between the sinus and infundibulum averaged at 15% of the cardiac cycle and was estimated to produce an intra-ventricular pressure difference of 15 mmHg. However, whether such a contractile motion occurs in human fetuses as well, its effects on hemodynamics remains unknown, and are the subject of the current study. Hemodynamic studies of fetal hearts are important as previous works showed that healthy cardiac development is sensitive to fluid mechanical forces. We performed 4D clinical ultrasound imaging on eight 20-weeks old human fetuses. In five fetal RVs, peristaltic-like contractile motion from the sinus to infundibulum ("forward peristaltic-like motion") was observed, but in one RV, peristaltic-like motion was observed from the infundibulum to sinus ("reversed peristaltic-like motion"), and two RVs contraction delay could not be determined due to poor regression fit. Next, we performed dynamic-mesh computational fluid dynamics simulations with varying extents of peristaltic-like motions for three of the eight RVs. Results showed that the peristaltic-like motion did not affect flow patterns significantly, but had significant influence on energy dynamics: increasing extent of forward peristaltic-like motion reduced the energy required for movement of fluid out of the heart during systolic ejection, while increasing extent of reversed peristaltic-like motion increased the required energy. It is currently unclear whether the peristaltic-like motion is an adaptation to reduce physiological energy expenditure, or merely an artefact of the cardiac developmental process.
Non-local flow effects on bedform dynamics
Perron, J. Taylor; Kao, Justin; Myrow, Paul
2013-04-01
Bedform patterns are sensitive recorders of feedbacks among bed topography, fluid flow, and sediment transport. Some of the most important feedbacks are local. For example, evolution models based on simple flow parameterizations that only incorporate local bed height can reproduce some of the essential features of bedform evolution, including bedform growth and migration. However, non-local effects can also be critically important. For example, field and laboratory measurements have shown that the spacing of most sand ripples generated by wave-driven oscillatory flows is linearly proportional to the amplitude of the flow oscillation, implying that fluid stress and sediment transport at a given location depend on upstream features that perturb the flow. A model that fully captures the coupling of flow and bedform evolution must include such effects, but it is not clear how detailed the description of the flow must be to reproduce the most important aspects of bedform evolution. To account for the most significant non-local flow effects without resorting to a coupled hydrodynamic model, we propose an approximation in which the bed shear stress is expressed as a convolution of the bed topography with a kernel that includes both local effects, such as acceleration over bumps, and non-local effects, such as flow separation and re-attachment. Two-dimensional flow simulations demonstrate that a single, generic kernel gives a good approximation of shear stress over a wide range of bed profiles under oscillatory and some combined flows. Incorporating this approximation into a simple bedform evolution model, we show that non-local effects are required to reproduce the characteristic transient patterns that emerge as wave ripples respond to changes in the flow, which we have documented with time-lapse imagery of laboratory wave tank experiments. We then show how this result informs interpretations of two-dimensional wave ripple patterns preserved in the geologic record.
Modeling Dynamic Effects of the Marketing Mix on Market Shares
Fok, Dennis; Paap, Richard; Franses, Philip Hans
2003-01-01
textabstractTo comprehend the competitive structure of a market, it is important to understand the short-run and long-run effects of the marketing mix on market shares. A useful model to link market shares with marketing-mix variables, like price and promotion, is the market share attraction model. In this paper we put forward a representation of the attraction model, which allows for explicitly disentangling long-run from short-run effects. Our model also contains a second level, in which th...
Bis-gadolinium complexes for solid effect and cross effect dynamic nuclear polarization
Energy Technology Data Exchange (ETDEWEB)
Kaushik, Monu; Corzilius, Bjoern [Goethe-Universitaet Frankfurt am Main, Institut fuer Physikalische und Theoretische Chemie, Institut fuer Biophysikalische Chemie und Biomolekulares Magnetresonanzzentrum (BMRZ) (Germany); Qi, Mian; Godt, Adelheid [Fakultaet fuer Chemie und Centrum fuer Molekulare Materialien (CM2), Universitaet Bielefeld (Germany)
2017-04-03
High-spin complexes act as polarizing agents (PAs) for dynamic nuclear polarization (DNP) in solid-state NMR spectroscopy and feature promising aspects towards biomolecular DNP. We present a study on bis(Gd-chelate)s which enable cross effect (CE) DNP owing to spatial confinement of two dipolar-coupled electron spins. Their well-defined Gd..Gd distances in the range of 1.2-3.4 nm allowed us to elucidate the Gd..Gd distance dependence of the DNP mechanism and NMR signal enhancement. We found that Gd..Gd distances above 2.1 nm result in solid effect DNP while distances between 1.2 and 2.1 nm enable CE for {sup 1}H, {sup 13}C, and {sup 15}N nuclear spins. We compare 263 GHz electron paramagnetic resonance (EPR) spectra with the obtained DNP field profiles and discuss possible CE matching conditions within the high-spin system and the influence of dipolar broadening of the EPR signal. Our findings foster the understanding of the CE mechanism and the design of high-spin PAs for specific applications of DNP. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)
Effects of All-Terrain Vehicles on Stream Dynamics
Anne Chin; Deven M. Rohrer; Daniel A. Marion; J. Alan Clingenpeel
2004-01-01
Abstract - This paper reports preliminary results from research conducted in the Ouachita National Forest to assess the effects of all-terrain vehicle (ATV) trails on stream characteristics. The study focuses on the Wolf Pen Gap Trail that has been in use since 1991. We examine whether that the trail system has caused increased sediment input to and...
Modeling Dynamic Effects of the Marketing Mix on Market Shares
D. Fok (Dennis); R. Paap (Richard); Ph.H.B.F. Franses (Philip Hans)
2003-01-01
textabstractTo comprehend the competitive structure of a market, it is important to understand the short-run and long-run effects of the marketing mix on market shares. A useful model to link market shares with marketing-mix variables, like price and promotion, is the market share attraction model.
Effects of soil mesofauna and microclimate on nitrogen dynamics in ...
African Journals Online (AJOL)
The effects of soil mesofauna on N concentration of litter were significantly linked to some special faunal groups, including Oribatida, Mesostigmata and Collembola. The N concentration in litter bags were positively related with mean annual air temperature, soil temperature and litter moisture along the elevation gradient.
Effects of dynamic loading of motor-operated valve actuators
International Nuclear Information System (INIS)
Damerell, P.S.; Daubresse, S.; Wolfe, K.J.; Dogan, T.; Gleeson, J.
1994-01-01
Experience has shown that valves with rising, nonrotating stems that are operated using electro-motor driven actuators can be susceptible to changes in output thrust at a constant torque switch setting as a result of changes in stem load time history. This effect is a concern because tests on these types of valves to verify thrust achieved at torque switch trip are often performed in situ under load conditions different from the required performance conditions. As part of a motor-operated valve research program being carried out by the Electric Power Research Institute, tests of typical electric motor actuators used with nuclear services valves have been performed. The test results show that changes in output thrust with load time history occur o varying degrees on different stem and stem nut combinations. When the effect exists, there is generally an increase in thrust at torque switch trip when load is developed rapidly from low initial loads, compared to when load is developed slowly. The effect is mainly a result of changes in the coefficient of friction at the stem-stem nut interface. The coefficient of friction is temporarily reduced under rapid loading conditions from low initial load, leading to increased thrust. The root cause is hypothesized to be a open-quotes squeeze-filmclose quotes effect, whereby mixed-mode lubrication (hydrodynamic plus boundary) temporarily replaces boundary lubrication. This paper describes the results of tests performed to better understand the phenomenon
Dynamics of antiferromagnetic skyrmion driven by the spin Hall effect
Jin, Chendong; Song, Chengkun; Wang, Jianbo; Liu, Qingfang
2016-10-01
Magnetic skyrmion moved by the spin-Hall effect is promising for the application of the generation racetrack memories. However, the Magnus force causes a deflected motion of skyrmion, which limits its application. Here, we create an antiferromagnetic skyrmion by injecting a spin-polarized pulse in the nanostripe and investigate the spin Hall effect-induced motion of antiferromagnetic skyrmion by micromagnetic simulations. In contrast to ferromagnetic skyrmion, we find that the antiferromagnetic skyrmion has three evident advantages: (i) the minimum driving current density of antiferromagnetic skyrmion is about two orders smaller than the ferromagnetic skyrmion; (ii) the velocity of the antiferromagnetic skyrmion is about 57 times larger than the ferromagnetic skyrmion driven by the same value of current density; (iii) antiferromagnetic skyrmion can be driven by the spin Hall effect without the influence of Magnus force. In addition, antiferromagnetic skyrmion can move around the pinning sites due to its property of topological protection. Our results present the understanding of antiferromagnetic skyrmion motion driven by the spin Hall effect and may also contribute to the development of antiferromagnetic skyrmion-based racetrack memories.
Effective population size and evolutionary dynamics in outbred ...
Indian Academy of Sciences (India)
Census population size, sex-ratio and female reproductive success were monitored in 10 laboratory populations of Drosophila melanogaster selected for different ages of reproduction. With this demographic information, we estimated eigenvalue, variance and probability of allele loss effective population sizes. We conclude ...
Kaltak, Merzuk; Fernández-Serra, Marivi; Hybertsen, Mark S.
2017-12-01
The phases of A2Mn8O16 hollandite group oxides emerge from the competition between ionic interactions, Jahn-Teller effects, charge ordering, and magnetic interactions. Their balanced treatment with feasible computational approaches can be challenging for commonly used approximations in density functional theory. Three examples (A = Ag, Li, and K) are studied with a sequence of different approximate exchange-correlation functionals. Starting from a generalized gradient approximation (GGA), an extension to include van der Waals interactions and a recently proposed meta-GGA are considered. Then local Coulomb interactions for the Mn 3 d electrons are more explicitly considered with the DFT + U approach. Finally, selected results from a hybrid functional approach provide a reference. Results for the binding energy of the A species in the parent oxide highlight the role of van der Waals interactions. Relatively accurate results for insertion energies can be achieved with a low-U and a high-U approach. In the low-U case, the materials are described as band metals with a high-symmetry, tetragonal crystal structure. In the high-U case, the electrons donated by A result in formation of local Mn3 + centers and corresponding Jahn-Teller distortions characterized by a local order parameter. The resulting degree of monoclinic distortion depends on charge ordering and magnetic interactions in the phase formed. The reference hybrid functional results show charge localization and ordering. Comparison to low-temperature experiments of related compounds suggests that charge localization is the physically correct result for the hollandite group oxides studied here. Finally, while competing effects in the local magnetic coupling are subtle, the fully anisotropic implementation of DFT + U gives the best overall agreement with results from the hybrid functional.
Directory of Open Access Journals (Sweden)
M Rajasekaran
Full Text Available BACKGROUND: Arylamine N-acetyltransferase 2 (NAT2 is an important catalytic enzyme that metabolizes the carcinogenic arylamines, hydrazine drugs and chemicals. This enzyme is highly polymorphic in different human populations. Several polymorphisms of NAT2, including the single amino acid substitutions R64Q, I114T, D122N, L137F, Q145P, R197Q, and G286E, are classified as slow acetylators, whereas the wild-type NAT2 is classified as a fast acetylator. The slow acetylators are often associated with drug toxicity and efficacy as well as cancer susceptibility. The biological functions of these 7 mutations have previously been characterized, but the structural basis behind the reduced catalytic activity and reduced protein level is not clear. METHODOLOGY/PRINCIPAL FINDINGS: We performed multiple molecular dynamics simulations of these mutants as well as NAT2 to investigate the structural and dynamical effects throughout the protein structure, specifically the catalytic triad, cofactor binding site, and the substrate binding pocket. None of these mutations induced unfolding; instead, their effects were confined to the inter-domain, domain 3 and 17-residue insert region, where the flexibility was significantly reduced relative to the wild-type. Structural effects of these mutations propagate through space and cause a change in catalytic triad conformation, cofactor binding site, substrate binding pocket size/shape and electrostatic potential. CONCLUSIONS/SIGNIFICANCE: Our results showed that the dynamical properties of all the mutant structures, especially in inter-domain, domain 3 and 17-residue insert region were affected in the same manner. Similarly, the electrostatic potential of all the mutants were altered and also the functionally important regions such as catalytic triad, cofactor binding site, and substrate binding pocket adopted different orientation and/or conformation relative to the wild-type that may affect the functions of the mutants
Extending Virtual Reality simulation of ITER maintenance operations with dynamic effects
International Nuclear Information System (INIS)
Heemskerk, C.J.M.; Baar, M.R. de; Boessenkool, H.; Graafland, B.; Haye, M.J.; Koning, J.F.; Vahedi, M.; Visser, M.
2011-01-01
Virtual Reality (VR) simulation can be used to study, improve and verify ITER maintenance operations during preparation. VR can also improve the situational awareness of human operators during actual Remote Handling (RH) operations. Until now, VR systems use geometric models of the environment and the objects being handled and kinematic models of the manipulation systems. The addition of dynamic effects into the VR simulation was investigated. Important dynamic effects are forces due to contact transitions and the bending of beams under heavy loads. A novel dynamics simulation module was developed and introduced as an add-on to the VR4Robots VR software. Tests were performed under simplified test conditions and in the context of realistic ITER maintenance tasks on a benchmark product and on the ECRH Upper Port Launcher Plug (UPL). The introduction of dynamic effects into VR simulations was found to add realism and provide new insights in procedure development. The quality of the haptic feedback depends strongly on the haptic device used to 'display' haptic feedback to the operator. Dynamic effect simulation can also form the basis for real-time guidance support to operators during the execution of maintenance tasks (augmented reality).
Liu, Ping; Li, Guodong; Liu, Xinggao
2015-09-01
Control vector parameterization (CVP) is an important approach of the engineering optimization for the industrial dynamic processes. However, its major defect, the low optimization efficiency caused by calculating the relevant differential equations in the generated nonlinear programming (NLP) problem repeatedly, limits its wide application in the engineering optimization for the industrial dynamic processes. A novel highly effective control parameterization approach, fast-CVP, is first proposed to improve the optimization efficiency for industrial dynamic processes, where the costate gradient formulae is employed and a fast approximate scheme is presented to solve the differential equations in dynamic process simulation. Three well-known engineering optimization benchmark problems of the industrial dynamic processes are demonstrated as illustration. The research results show that the proposed fast approach achieves a fine performance that at least 90% of the computation time can be saved in contrast to the traditional CVP method, which reveals the effectiveness of the proposed fast engineering optimization approach for the industrial dynamic processes. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.
Dynamic Effect of Rolling Massage on Blood Flow
Chen, Yan-Yan; Yi, Hou-Hui; Li, Hua-Bing; Fang, Hai-Ping
2009-02-01
The Chinese traditional medical massage has been used as a natural therapy to eliminate some diseases. Here, the effect of the rolling massage frequency to the blood flow in the blood vessels under the rolling massage manipulation is studied by the lattice Boltzmann simulation. The simulation results show that when the frequency is smaller than or comparable to the pulsatile frequency of the blood flow, the effect on the blood flux by the rolling massage is small. On the contrast, if the frequency is twice or more times of the pulsatile frequency of the blood flow, the blood flux is greatly enhanced and increases linearly with respect to the frequency. Similar behavior has also been observed on the shear stress on the blood vessel walls. The result is helpful for understanding that the rolling massage has the function of promoting the blood circulation and removing the blood stasis.
Dynamically assisted Sauter-Schwinger effect in inhomogeneous electric fields
Energy Technology Data Exchange (ETDEWEB)
Schneider, Christian; Schützhold, Ralf [Fakultät für Physik, Universität Duisburg-Essen,Lotharstrasse 1, 47057 Duisburg (Germany)
2016-02-24
Via the world-line instanton method, we study electron-positron pair creation by a strong (but sub-critical) electric field of the profile E/cosh{sup 2} (kx) superimposed by a weaker pulse E{sup ′}/cosh{sup 2} (ωt). If the temporal Keldysh parameter γ{sub ω}=mω/(qE) exceeds a threshold value γ{sub ω}{sup crit} which depends on the spatial Keldysh parameter γ{sub k}=mk/(qE), we find a drastic enhancement of the pair creation probability — reporting on what we believe to be the first analytic non-perturbative result for the interplay between temporal and spatial field dependences E(t,x) in the Sauter-Schwinger effect. Finally, we speculate whether an analogous effect (drastic enhancement of tunneling probability) could occur in other scenarios such as stimulated nuclear decay, for example.
Determination of static and dynamic reactivity effects in KNK II
International Nuclear Information System (INIS)
Essig, C.
1987-11-01
In the frame of a pre-study of the KNK II test program two series of experiments related to inherent safety characteristics of sodium cooled breeder reactors have been elaborated, which are one basis for the performance of experiments of the Loss Of Flow (LOF) type and the Loss Of Heat Sink (LOHS) type. Tests of this type at KNK II would -different from the earlier tests at RAPSODIE and EBR-II- provide a demonstration of the inherently safe performance in case of a significantly non-zero Doppler effect. With a suitable execution, the foreseen series of experiments allow, as explained in this report, a substantial separation of the reactivity contributions and the determination of reactivity effects, i.e. the time constants of the recouplings. The performance and evaluation of these experiments with respect to the inherent safety potential will once more underline the distinguished role of KNK II for the development of fast breeders [de
Stochastic dynamics of spatial effects in fragmentation of clusters
International Nuclear Information System (INIS)
Salinas-Rodriguez, E.; Rodriguez, R.F.; Zamora, J.M.
1991-01-01
We use a stochastic approach to study the effects of spatial in homogeneities in the kinetics of a fragmentation model which occurs in cluster breakup and polymer degradation. The analytical form of the cluster size distribution function is obtained for both the discrete and continuous limits. From it we calculate numerically the average size and volume of the clusters, their total concentration and the total scattering of the dispersion in both limits. The influence of spatial effects is explicitly shown in the last two quantities. From our description the equations for the equal-time and the two times density correlation functions are also derived in the continuous limit. Finally, the perspectives and limitations of our approach are discussed (Author)
Nitrogen Deposition Effects on Soil Carbon Dynamics in Temperate Forests
DEFF Research Database (Denmark)
Ginzburg Ozeri, Shimon
edges were used to study the effects of varying N deposition load on SOC stocks and fluxes as well as on the temperature sensitivity of SOM respiration. In a third study, the effects of 20 years of continuous experimental N addition (35 kg N ha-1 year-1) on soil C budget were investigated. Our general...... incubated in litterbags had significantly lower late-stage decomposition rates compared with control litter. However, potential respiration of forest floor and mineral soil was overall unaffected by the experimental N-additions. A temperature treatment of forest floor samples taken from one edge site......Soils contain the largest fraction of terrestrial carbon (C). Understanding the factors regulating the decomposition and storage of soil organic matter (SOM) is essential for predictions of the C sink strength of the terrestrial environment in the light of global change. Elevated long-term nitrogen...
Deriving dynamic marketing effectiveness from econometric time series models
Horváth, C.; Franses, Ph.H.B.F.
2003-01-01
textabstractTo understand the relevance of marketing efforts, it has become standard practice to estimate the long-run and short-run effects of the marketing-mix, using, say, weekly scanner data. A common vehicle for this purpose is an econometric time series model. Issues that are addressed in the literature are unit roots, cointegration, structural breaks and impulse response functions. In this paper we summarize the most important concepts by reviewing all possible empirical cases that can...
Cost Effective Dynamic Concept Hierarchy Generation for Preserving Privacy
Valli Kumari Vatsavayi; Sri Krishna Adusumalli
2014-01-01
Explosive growth of information in the Internet has raised threats for individual privacy. k-Anonymity and l-diversity are two known techniques proposed to address the threats. They use concept hierarchy tree (CHT)-based generalization/suppression. For a given attribute several CHTs can be constructed. An appropriate CHT is to be chosen for attribute anonymization to be effective. This paper discusses an on the fly approach for constructing CHT which can be used for generalization/suppression...
Modelling the effects of climate change on weed population dynamics
García de León Hernández, David
2014-01-01
As the human population continues to increase –it will have surpassed 9 billion people by 2050- food supply must rise in order to sustain people. Climate change represents a threat in the provision of sufficient, secure and nutritious nourishment for everyone. Possible consequences of climate change include a reduction in global agro-ecosystem production, with Spain as one of the most affected countries in Europe. Accordingly, little is known about the possible effects on weed ...
Activated aging dynamics and effective trap model description in the random energy model
Baity-Jesi, M.; Biroli, G.; Cammarota, C.
2018-01-01
We study the out-of-equilibrium aging dynamics of the random energy model (REM) ruled by a single spin-flip Metropolis dynamics. We focus on the dynamical evolution taking place on time-scales diverging with the system size. Our aim is to show to what extent the activated dynamics displayed by the REM can be described in terms of an effective trap model. We identify two time regimes: the first one corresponds to the process of escaping from a basin in the energy landscape and to the subsequent exploration of high energy configurations, whereas the second one corresponds to the evolution from a deep basin to the other. By combining numerical simulations with analytical arguments we show why the trap model description does not hold in the former but becomes exact in the second.
Interring Gas Dynamic Analysis of Piston in a Diesel Engine considering the Thermal Effect
Directory of Open Access Journals (Sweden)
Wanyou Li
2015-01-01
Full Text Available Understanding the interaction between ring dynamics and gas transport in ring pack systems is crucial and needs to be imperatively studied. The present work features detailed interring gas dynamics of piston ring pack behavior in internal combustion engines. The model is developed for a ring pack with four rings. The dynamics of ring pack are simulated. Due to the fact that small changes in geometry of the grooves and lands would have a significant impact on the interring gas dynamics, the thermal deformation of piston has been considered during the ring pack motion analysis in this study. In order to get the temperature distribution of piston head more quickly and accurately, an efficient method utilizing the concept of inverse heat conduction is presented. Moreover, a sensitive analysis based on the analysis of partial regression coefficients is presented to investigate the effect of groove parameters on blowby.
Directory of Open Access Journals (Sweden)
James J Bull
2014-11-01
Full Text Available The use of bacteriophages as antibacterial agents is being actively researched on a global scale. Typically, the phages used are isolated from the wild by plating on the bacteria of interest, and a far larger set of candidate phages is often available than can be used in any application. When an excess of phages is available, how should the best phages be identified? Here we consider phage-bacterial population dynamics as a basis for evaluating and predicting phage success. A central question is whether the innate dynamical properties of phages are the determinants of success, or instead, whether extrinsic, indirect effects can be responsible. We address the dynamical perspective, motivated in part by the absence of dynamics in previously suggested principles of phage therapy. Current mathematical models of bacterial-phage dynamics do not capture the realities of in vivo dynamics, nor is this likely to change, but they do give insight to qualitative properties that may be generalizable. In particular, phage adsorption rate may be critical to treatment success, so understanding the effects of the in vivo environment on host availability may allow prediction of useful phages prior to in vivo experimentation. Principles for predicting efficacy may be derived by developing a greater understanding of the in vivo system, or such principles could be determined empirically by comparing phages with known differences in their dynamic properties. The comparative approach promises to be a powerful method of discovering the key to phage success. We offer five recommendations for future study: (i compare phages differing in treatment efficacy to identify the phage properties associated with success, (ii assay dynamics in vivo, (iii understand mechanisms of bacterial escape from phages, (iv test phages in model infections that are relevant to the intended clinical applications, and (v develop new classes of models for phage growth in spatially heterogeneous
Simmons, Charles J; Stratemeier, Horst; Hitchman, Michael A; Reinen, Dirk; Masters, Vanessa M; Riley, Mark J
2011-06-06
The crystal structures of trans-diaquabis(methoxyacetato)copper(II) and the isostructural nickel(II) complex have been determined over a wide temperature range. In conjunction with the reported behavior of the g-values, the structural data suggest that the copper(II) compound exhibits a thermal equilibrium between three structural forms, two having orthorhombically distorted, tetragonally elongated geometries but with the long and intermediate bonds to different atoms, and the third with a tetragonally compressed geometry. This is apparently the first reported example of a copper(II) complex undergoing an equilibrium between tetragonally elongated and compressed forms. The optical spectrum of single crystals of the copper(II) compound is used to obtain metal-ligand bonding parameters which yield the g-values of the compressed form of the complex and hence the proportions of the complex in each structural form at every temperature. When combined with estimates of the Jahn-Teller distortions of the different forms, the latter produce excellent agreement with the observed temperature dependence of the bond lengths. The behavior of an infrared combination band is consistent with such a thermal equilibrium, as is the temperature dependence of the thermal ellipsoid parameters and the XAFS. The potential surfaces of the different forms of the copper(II) complex have been calculated by a model based upon Jahn-Teller coupling. It is suggested that cooperative effects may cause the development of the population of tetragonally compressed complexes, and the crystal packing is consistent with this hypothesis, though the present model may oversimplify the diversity of structural forms present at high temperature. © 2011 American Chemical Society
International Nuclear Information System (INIS)
Rego, Andreson L.C.; Farina, Carlos; Alves, J.P.S.; Alves, Danilo T.
2012-01-01
Full text: The creation of real particles from vacuum induced by moving mirrors with non-uniform acceleration is a quantum vacuum effect usually called dynamical Casimir effect (DCE). The radiation reaction force acting on this moving plate is an alternative manner to explain this fascinating effect. The theoretical prediction of the DCE was made by Moore in 1970 (J Math. Phys. 11, 2679, (1970)), considering a cavity with a moving boundary, and a real massless scalar field in a two-dimensional space-time. DeWitt (Phys. Rep. 19, 295 (1975)), Fulling and Davies (Proc. R. Soc. London, A 348, 393 (1976)) also investigated the DCE with the same two-dimensional model, but with just a single moving mirror, the simplest way to produce the Casimir radiation. The experimental measure of the DCE can be treated as a direct confirmation of existence of vacuum fluctuations. In the single mirror problem, for realistic parameters, the amount of created particles is not appreciable. In order to remove this difficulty, several experimental proposals were presented to detect the radiation generated by the DCE. More than 40 years after its first theoretical prediction, the DCE was observed by Wilson and collaborators (Nature, 479, 376, (2011)) in the context of circuit Quantum Electrodynamics (circuit-QED). The experiment was based on a superconducting circuit consisting in a coplanar waveguide terminated by a SQUID (a sensitive magnetometer). The presence of time-dependent magnetic fluxes enable fast modulations in the electrical length of the transmission line. This setup simulates a moving mirror whose effective velocity can achieve 0:1 of velocity of light. In the present work, taking into account the fact of the effective velocity implemented on the first experimental observation of the DCE is a substantial fraction of velocity of light, we investigate relativistic effects in the particle creation via DCE in a superconducting circuit. Considering a massless scalar field in 1
Amplification of the parametric dynamical Casimir effect via optimal control
Hoeb, Fabian; Angaroni, Fabrizio; Zoller, Jonathan; Calarco, Tommaso; Strini, Giuliano; Montangero, Simone; Benenti, Giuliano
2017-09-01
We introduce different strategies to enhance photon generation in a cavity within the Rabi model in the ultrastrong coupling regime. We show that a bang-bang strategy allows one to enhance the effect up to 1 order of magnitude with respect to simply driving the system in resonance for a fixed time. Moreover, up to about another order of magnitude can be gained by exploiting quantum optimal control strategies. Finally, we show that such optimized protocols are robust with respect to systematic errors and noise, paving the way to future experimental implementations of such strategies.
Complex dynamics of the integer quantum Hall effect
International Nuclear Information System (INIS)
Trugman, S.A.; Nicopoulos, V.N.; Florida Univ., Gainesville, FL
1991-01-01
We investigate both classical and quantum potential scattering in two dimensions in a magnetic field, with applications to the integer quantum Hall effect. Classical scattering is complex, due in one case to the approach of scattering states to an infinite number of bound states. We show that bound states are generic, and occur for all but extremely smooth scattering potentials (|rvec ∇| → 0). Quantum scattering follows the classical behavior rather closely, exhibiting sharp resonances rather than classical bound states. Extended scatterers provide an explanation for the breakdown of the QHE at a comparatively small Hall voltage. 16 refs., 14 figs
Aeroelastic modal dynamics of wind turbines including anisotropic effects
DEFF Research Database (Denmark)
Skjoldan, Peter Fisker
and the computationally efficient implicit Floquet analysis in anisotropic conditions. The tool is validated against system identifications with the partial Floquet method on the nonlinear BHawC model of a 2.3 MW wind turbine. System identification results show that nonlinear effects on the 2.3 MW turbine in most cases....... These harmonics appear in calculated frequency responses of the turbine. Extreme wind shear changes the modal damping when the flow is separated due to an interaction between the periodic mode shape and the local aerodynamic damping influenced by a periodic variation in angle of attack....
Optimal dynamic pricing for deteriorating items with reference-price effects
Xue, Musen; Tang, Wansheng; Zhang, Jianxiong
2016-07-01
In this paper, a dynamic pricing problem for deteriorating items with the consumers' reference-price effect is studied. An optimal control model is established to maximise the total profit, where the demand not only depends on the current price, but also is sensitive to the historical price. The continuous-time dynamic optimal pricing strategy with reference-price effect is obtained through solving the optimal control model on the basis of Pontryagin's maximum principle. In addition, numerical simulations and sensitivity analysis are carried out. Finally, some managerial suggestions that firm may adopt to formulate its pricing policy are proposed.
The effect of relationship status on health with dynamic health and persistent relationships.
Kohn, Jennifer L; Averett, Susan L
2014-07-01
The dynamic evolution of health and persistent relationship status pose econometric challenges to disentangling the causal effect of relationships on health from the selection effect of health on relationship choice. Using a new econometric strategy we find that marriage is not universally better for health. Rather, cohabitation benefits the health of men and women over 45, being never married is no worse for health, and only divorce marginally harms the health of younger men. We find strong evidence that unobservable health-related factors can confound estimates. Our method can be applied to other research questions with dynamic dependent and multivariate endogenous variables. Copyright © 2014 Elsevier B.V. All rights reserved.
Nonlinear dynamical effects on reaction rates in thermally fluctuating environments.
Kawai, Shinnosuke; Komatsuzaki, Tamiki
2010-07-21
A framework to calculate the rate constants of condensed phase chemical reactions of manybody systems is presented without relying on the concept of transition state. The theory is based on a framework we developed recently adopting a multidimensional underdamped Langevin equation in the region of a rank-one saddle. The theory provides a reaction coordinate expressed as an analytical nonlinear functional of the position coordinates and velocities of the system (solute), the friction constants, and the random force of the environment (solvent). Up to moderately high temperature, the sign of the reaction coordinate can determine the final destination of the reaction in a thermally fluctuating media, irrespective of what values the other (nonreactive) coordinates may take. In this paper, it is shown that the reaction probability is analytically derived as the probability of the reaction coordinate being positive, and that the integration with the Boltzmann distribution of the initial conditions leads to the exact reaction rate constant when the local equilibrium holds and the quantum effect is negligible. Because of analytical nature of the theory taking into account all nonlinear effects and their combination with fluctuation and dissipation, the theory naturally provides us with the firm mathematical foundation of the origin of the reactivity of the reaction in a fluctuating media.
Optical detection of magnetic resonance of the F-centre in CaO in its phosphorescent state
International Nuclear Information System (INIS)
Krap, C.J.
1980-01-01
The F-centre in CaO consists of two electrons trapped in an oxygen vacancy. The centre possesses bound excited states, of which the phosphorescent 3 Tsub(1u) state is a Jahn-Teller state. Jahn-Teller systems have been of interest in many investigations. However, detailed experimental studies about the relaxation paths for the Jahn-Teller states are relatively few. The author studies by means of optical detection of magnetic resonance (ODMR) and phosphorescence microwave double resonance (PMDR) techniques the relaxation between the components of the 3 Tsub(1u) state, the magnetic properties of the individual spin-vibronic Jahn-Teller states and the inhomogeneous line broadening in the ODMR and PMDR spectra. (Auth.)
Linge, Svein O; Mardal, Kent-A; Helgeland, Anders; Heiss, John D; Haughton, Victor
2014-10-01
The effect of craniovertebral decompression surgery on CSF flow dynamics in patients with Chiari malformation Type I (CM-I) has been incompletely characterized. The authors used computational fluid dynamics to calculate the effect of decompression surgery on CSF flow dynamics in the posterior fossa and upper cervical spinal canal. Oscillatory flow was simulated in idealized 3D models of the normal adult and the CM-I subarachnoid spaces (both previously described) and in 3 models of CM-I post-craniovertebral decompressions. The 3 postoperative models were created from the CM model by virtually modifying the CM model subarachnoid space to simulate surgical decompressions of different magnitudes. Velocities and pressures were computed with the Navier-Stokes equations in Star-CD for multiple cycles of CSF flow oscillating at 80 cycles/min. Pressure gradients and velocities were compared for 8 levels extending from the posterior fossa to the C3-4 level. Relative pressures and peak velocities were plotted by level from the posterior fossa to C3-4. The heterogeneity of flow velocity distribution around the spinal cord was compared between models. Peak systolic velocities were generally lower in the postoperative models than in the preoperative CM model. With the 2 larger surgical defects, peak systolic velocities were brought closer to normal model velocities (equal values at C-3 and C-4) than with the smallest surgical defect. For the smallest defect, peak velocities were decreased, but not to levels in the normal model. In the postoperative models, heterogeneity in flow velocity distribution around the spinal cord increased from normal model levels as the degree of decompression increased. Pressures in the 5 models differed in magnitude and in pattern. Pressure gradients along the spinal canal in the normal and CM models were nonlinear, with steeper gradients below C3-4 than above. The CM model had a steeper pressure gradient than the normal model above C3-4 and the
Yokomuro, Hiroki; Ozawa, Tsukasa; Fujii, Takeshiro; Shiono, Noritsugu; Watanabe, Yoshinori; Yoshihara, Katsunori; Koyama, Nobuya; Okada, Mitsumasa
2007-11-01
Conventional biomaterials are not viable, do not grow, and do not provide contractile effects in cardiac tissue. Foreign synthetic material may become thrombogenic or infected. The most recent cardiac constructs consist of biodegradable material which has the potential to solve these problems. However, dynamic three-dimensional cell culture is necessary because conventional culture is limited to construct tough biografts. Vascular smooth muscle cells derived from rat aorta were seeded to poly-L-lactide-epsilon-capro-lactone copolymer in three groups; static culture group (static cell seeding + static cell culture), dynamic culture group (dynamic cell seeding + dynamic cell culture), and pre-seeding group [static cell seeding and culture for 1 week (pre-seeding) + dynamic cell culture]. The dynamic cell culture system used an original spinner flask. The pre-seeding technique used static cell seeding and culture before dynamic culture. The three groups were evaluated by cell proliferation and histologic studies. Vascular smooth muscle cells could be proliferated in/on the biodegradable materials. The pre-seeding group cells grew much more efficiently than the other groups. Very few cells were found in the biodegradable materials with the dynamic groups. However, there were many cells in the materials with the static culture group and pre-seeding group, especially the pre-seeding group. Dynamic culture is useful for constructing tough biografts by the pre-seeding technique.
Static and Dynamic Pricing Strategies in a Closed-Loop Supply Chain with Reference Quality Effects
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Zhichao Zhang
2018-01-01
Full Text Available Remanufacturing of returned products has been increasingly recognized in industries as an effective approach to face environmental responsibility, government regulations, and increased awareness of consumers. In this paper, we address a closed-loop supply chain (CLSC in which the manufacturer produces the brand-new products, as well as the remanufactured goods while the retailer sells these products to customers. We consider several different scenarios: the manufacturer and the retailer adopt a steady-state price or a dynamic price with reference quality effects in a centralized case; either, neither or both the manufacturer and the retailer price dynamically with reference quality effects, respectively, in a decentralized model. We solve the problem with the retailer recycling the sold copies and deduce the optimal pricing strategies while the manufacturer in charge of recovering the used items in such a CLSC. The result shows that dynamic pricing strategies are much more profitable for the supply chain and its members when compared with pricing statically; the dynamic pricing strategies with time-varying quality characterized by reference quality are more suited to a long-term and cooperative closed-loop supply chain. Moreover, the optimal recycling fraction relies on the recovery cost coefficient and proves to be uniform despite adopting a dynamic price and quality in all distinct cases.
System dynamics modelling and simulating the effects of intellectual capital on economic growth
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Ivona Milić Beran
2015-10-01
Full Text Available System dynamics modelling is one of the best scientific methods for modelling complex, nonlinear natural, economic and technical system dynamics as it enables both monitoring and assessment of the effects of intellectual capital on economic growth. Intellectual capital is defined as “the ability to transform knowledge and intangible assets into resources to create wealth for a company and a country.” Transformation of knowledge is crucial. Knowledge increases a country’s wealth only if its importance is recognized and applied differently from existing work practices. The aim of this paper is to show the efficiency of modelling system dynamics and simulating the effects of intellectual capital on economic growth. A computer simulation provided a mathematical model, providing practical insight into the dynamic behavior of the observed system, i.e. the analysis of economic growth and observation of mutual correlation between individual parameters. The results of the simulation are presented in graphical form. The dynamic model of the effects of intellectual capital on Croatia’s economic growth has been verified by comparing simulation results with existing data on economic growth.
Effects of dynamic and static stretching within general and activity specific warm-up protocols.
Samson, Michael; Button, Duane C; Chaouachi, Anis; Behm, David G
2012-01-01
The purpose of the study was to determine the effects of static and dynamic stretching protocols within general and activity specific warm-ups. Nine male and ten female subjects were tested under four warm-up conditions including a 1) general aerobic warm-up with static stretching, 2) general aerobic warm-up with dynamic stretching, 3) general and specific warm-up with static stretching and 4) general and specific warm-up with dynamic stretching. Following all conditions, subjects were tested for movement time (kicking movement of leg over 0.5 m distance), countermovement jump height, sit and reach flexibility and 6 repetitions of 20 metre sprints. Results indicated that when a sport specific warm-up was included, there was an 0.94% improvement (p = 0.0013) in 20 meter sprint time with both the dynamic and static stretch groups. No such difference in sprint performance between dynamic and static stretch groups existed in the absence of the sport specific warm-up. The static stretch condition increased sit and reach range of motion (ROM) by 2.8% more (p = 0.0083) than the dynamic condition. These results would support the use of static stretching within an activity specific warm-up to ensure maximal ROM along with an enhancement in sprint performance. Key pointsActivity specific warm-up may improve sprint performance.Static stretching was more effective than dynamic stretching for increasing static range of motion.There was no effect of the warm-up protocols on countermovement jump height or movement time.
Effects of abnormal excitation on the dynamics of spiral waves
Min-Yi, Deng; Xue-Liang, Zhang; Jing-Yu, Dai
2016-01-01
The effect of physiological and pathological abnormal excitation of a myocyte on the spiral waves is investigated based on the cellular automaton model. When the excitability of the medium is high enough, the physiological abnormal excitation causes the spiral wave to meander irregularly and slowly. When the excitability of the medium is low enough, the physiological abnormal excitation leads to a new stable spiral wave. On the other hand, the pathological abnormal excitation destroys the spiral wave and results in the spatiotemporal chaos, which agrees with the clinical conclusion that the early after depolarization is the pro-arrhythmic mechanism of some anti-arrhythmic drugs. The mechanisms underlying these phenomena are analyzed. Project supported by the National Natural Science Foundation of China (Grant Nos. 11365003 and 11165004).
Effect of Stochastic Charge Fluctuations on Dust Dynamics
Matthews, Lorin; Shotorban, Babak; Hyde, Truell
2017-10-01
The charging of particles in a plasma environment occurs through the collection of electrons and ions on the particle surface. Depending on the particle size and the plasma density, the standard deviation of the number of collected elementary charges, which fluctuates due to the randomness in times of collisions with electrons or ions, may be a significant fraction of the equilibrium charge. We use a discrete stochastic charging model to simulate the variations in charge across the dust surface as well as in time. The resultant asymmetric particle potentials, even for spherical grains, has a significant impact on the particle coagulation rate as well as the structure of the resulting aggregates. We compare the effects on particle collisions and growth in typical laboratory and astrophysical plasma environments. This work was supported by the National Science Foundation under Grant PHY-1414523.
Numerical Diffusion Effect in Dynamic Simulation of Thermohydraulic Systems
International Nuclear Information System (INIS)
Zanocco, Pablo; Gimenez, Marcelo; Delmastro, Dario
2003-01-01
In this work, the behavior of the explicit - up-wind method is studied in two phase natural convection circuit, near the instabilities boundaries.The effect of the numerical diffusion of the scheme upon the system stability is evaluated by means of linearization by small perturbations.The results are compared with a non-diffusive method, in the frequency domain, that solves analytically the linearized equations around a steady state condition.Moreover, a conservation equation transport model using the method of characteristics is implemented and studied.This method is compared with the explicit - up-wind scheme and it is found that it significantly reduces numerical diffusion in the equations solution. Several advantages are visualized for particular cases
Effects of phase transition induced density fluctuations on pulsar dynamics
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Partha Bagchi
2015-07-01
Full Text Available We show that density fluctuations during phase transitions in pulsar cores may have non-trivial effects on pulsar timings, and may also possibly account for glitches and anti-glitches. These density fluctuations invariably lead to non-zero off-diagonal components of the moment of inertia, leading to transient wobbling of star. Thus, accurate measurements of pulsar timing and intensity modulations (from wobbling may be used to identify the specific pattern of density fluctuations, hence the particular phase transition, occurring inside the pulsar core. Changes in quadrupole moment from rapidly evolving density fluctuations during the transition, with very short time scales, may provide a new source for gravitational waves.
The Effect of Polar Lipids on Tear Film Dynamics
Aydemir, E.
2010-06-17
In this paper, we present a mathematical model describing the effect of polar lipids, excreted by glands in the eyelid and present on the surface of the tear film, on the evolution of a pre-corneal tear film. We aim to explain the interesting experimentally observed phenomenon that the tear film continues to move upward even after the upper eyelid has become stationary. The polar lipid is an insoluble surface species that locally alters the surface tension of the tear film. In the lubrication limit, the model reduces to two coupled non-linear partial differential equations for the film thickness and the concentration of lipid. We solve the system numerically and observe that increasing the concentration of the lipid increases the flow of liquid up the eye. We further exploit the size of the parameters in the problem to explain the initial evolution of the system. © 2010 Society for Mathematical Biology.
Pharmacological effect on pyeloureteric dynamics with a clinical perspective
DEFF Research Database (Denmark)
Jung, Helene U; Frimodt-Møller, Poul C; Osther, Palle J
2006-01-01
We searched to review experimental and clinical trials concerning the capabilities of impacting on the ureteric and pelvic activity by means of pharmacological stimulation. Ureteropyeloscopy may cause high renal pelvic pressure. The normal pressure is in the range of 5-15 mmHg whereas pressure...... an increased risk of several complications related to endourological procedures including bleeding, perforation and infection. In other words, means by which intrarenal pressure could be lowered during endourological procedures might be beneficial with respect to clinical outcomes. In vitro experiments support...... systemic side effects. In vivo human studies are necessary to clarify the exact dose-response relationship and the degree of urothelial absorption of a drug before clinical use may be adopted....
Nitrogen Deposition Effects on Soil Carbon Dynamics in Temperate Forests
DEFF Research Database (Denmark)
Ginzburg Ozeri, Shimon
incubated in litterbags had significantly lower late-stage decomposition rates compared with control litter. However, potential respiration of forest floor and mineral soil was overall unaffected by the experimental N-additions. A temperature treatment of forest floor samples taken from one edge site...... by needle litterfall were generally not significantly affected by N deposition at the edge sites but tended to increase with increasing distance from the edge in two of the N-saturated sites. The experimental N additions resulted in reduced C inputs by foliar litter relative to control concomitant...... reduced belowground C inputs under elevated N deposition. At two edge sites, forest floor C outputs by respiration tended to decrease with decreased forest floor C/N and distance from the edge indicating positive effect of elevated N deposition on SOC sequestration. Correspondingly, N-enriched litter...
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Duval Bernard
2006-12-01
Full Text Available Abstract Background Infection rates for many infectious diseases have declined over the past century. This has created a cohort effect, whereby older individuals experienced a higher infection rate in their past than younger individuals do now. As a result, age-stratified seroprevalence profiles often differ from what would be expected from constant infection rates. Methods Here, we account for the cohort effect by fitting an age-structured compartmental model with declining transmission rates to Hepatitis A seroprevalence data for Canadian-born individuals. We compare the predicted impact of universal vaccination with and without including the cohort effect in the dynamic model. Results We find that Hepatitis A transmissibility has declined by a factor of 2.8 since the early twentieth century. When the cohort effect is not included in the model, incidence and mortality both with and without vaccination are significantly over-predicted. Incidence (respectively mortality over a 20 year period of universal vaccination is 34% (respectively 90% higher than if the cohort effect is included. The percentage reduction in incidence and mortality due to vaccination are also over-predicted when the cohort effect is not included. Similar effects are likely for many other infectious diseases where infection rates have declined significantly over past decades and where immunity is lifelong. Conclusion Failure to account for cohort effects has implications for interpreting seroprevalence data and predicting the impact of vaccination programmes with dynamic models. Cohort effects should be included in dynamic modelling studies whenever applicable.
The impact of marriage and parenthood on male body mass index: Static and dynamic effects.
Syrda, Joanna
2017-08-01
Numerous cross-sectional studies investigated the link between marital status and BMI in the context of competing social science theories (marriage market, marriage selection, marriage protection and social obligation), frequently offering conflicting theoretical predictions and conflicting empirical findings. This study analysed the effects of marriage, divorce, pregnancy, and parenthood on male BMI in a longitudinal setting, avoiding the estimation bias of cross-sectional studies and allowing for an analysis of BMI fluctuation over time and the dynamic effects of these events. Using the Panel Study of Income Dynamics 1999-2013 dataset (N = 8729), this study was the first to employ a dynamic panel-data estimation to examine the static and dynamic effects of marriage, divorce, and fatherhood on male BMI. The study showed that married men have higher BMI, but marital status changes largely drove this static effect, namely, an increase in BMI in the period following marriage, and a decrease in BMI preceding and following divorce. Thus, this study found marked evidence in support of the marriage market and social obligation theories' predictions about male BMI, and supports neither marriage protection theory nor marriage selection theory. Wives' pregnancies had no significant effect on BMI; instead, men tend to have higher BMI in the periods following childbirth. Finally, analyses showed marked contemporaneous correlations between husband and wife BMI over the course of marriage. Copyright © 2017 Elsevier Ltd. All rights reserved.
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Min Chen
2013-01-01
Full Text Available The projected rise in temperature in the 21st century will alter forest ecosystem functioning and carbon dynamics. To date, the acclimation of plant photosynthesis to rising temperature has not been adequately considered in earth system models. Here we present a study on regional ecosystem carbon dynamics under future climate scenarios incorporating temperature acclimation effects into a large-scale ecosystem model, the terrestrial ecosystem model (TEM. We first incorporate a general formulation of the temperature acclimation of plant photosynthesis into TEM, and then apply the revised model to the forest ecosystems of the conterminous United States for the 21st century under the future Intergovernmental Panel on Climate Change (IPCC Special Report on Emissions Scenarios (SRES climate scenarios A1FI, A2, B1 and B2. We find that there are significant differences between the estimates of carbon dynamics from the previous and the revised models. The largest differences occur under the A1FI scenario, in which the model that considers acclimation effects predicts that the region will act as a carbon sink, and that cumulative carbon in the 21st century will be 35 Pg C higher than the estimates from the model that does not consider acclimation effects. Our results further indicate that in the region there are spatially different responses to temperature acclimation effects. This study suggests that terrestrial ecosystem models should take temperature acclimation effects into account so as to more accurately quantify ecosystem carbon dynamics at regional scales.
Effects of prosodic factors on spectral dynamics. I. Analysis
Wouters, Johan; Macon, Michael W.
2002-01-01
The effects of prosodic factors on the spectral rate of change of vowel transitions are investigated. Thirty two-syllable English words are placed in carrier phrases and read by a single speaker. Liquid-vowel, diphthong, and vowel-liquid transitions are extracted from different prosodic contexts, corresponding to different levels of stress, pitch accent, word position, and speaking style, following a balanced experimental design. The spectral rate of change in these transitions is measured by fitting linear regression lines to the first three formants and computing the root-mean-square of the slopes. Analysis shows that the spectral rate of change increases with linguistic prominence, i.e., in stressed syllables, in accented words, in sentence-medial words, and in hyperarticulated speech. The results are consistent with a contextual view of vowel reduction, where the extent of reduction depends both on the spectral rate of change and on vowel duration. A numerical model of spectral rate of change is proposed, which can be integrated in a system for concatenative speech synthesis, as discussed in Paper II [J. Wouters and M. Macon, J. Acoust. Soc. Am. 111, 428-438 (2002)].
Zealotry effects on opinion dynamics in the adaptive voter model
Klamser, Pascal P.; Wiedermann, Marc; Donges, Jonathan F.; Donner, Reik V.
2017-11-01
The adaptive voter model has been widely studied as a conceptual model for opinion formation processes on time-evolving social networks. Past studies on the effect of zealots, i.e., nodes aiming to spread their fixed opinion throughout the system, only considered the voter model on a static network. Here we extend the study of zealotry to the case of an adaptive network topology co-evolving with the state of the nodes and investigate opinion spreading induced by zealots depending on their initial density and connectedness. Numerical simulations reveal that below the fragmentation threshold a low density of zealots is sufficient to spread their opinion to the whole network. Beyond the transition point, zealots must exhibit an increased degree as compared to ordinary nodes for an efficient spreading of their opinion. We verify the numerical findings using a mean-field approximation of the model yielding a low-dimensional set of coupled ordinary differential equations. Our results imply that the spreading of the zealots' opinion in the adaptive voter model is strongly dependent on the link rewiring probability and the average degree of normal nodes in comparison with that of the zealots. In order to avoid a complete dominance of the zealots' opinion, there are two possible strategies for the remaining nodes: adjusting the probability of rewiring and/or the number of connections with other nodes, respectively.
Effects of perfluorochemical distribution and elimination dynamics on cardiopulmonary function.
Miller, T F; Milestone, B; Stern, R; Shaffer, T H; Wolfson, M R
2001-03-01
Based on a physicochemical property profile, we tested the hypothesis that different perfluorochemical (PFC) liquids may have distinct effects on intrapulmonary PFC distribution, lung function, and PFC elimination kinetics during partial liquid ventilation (PLV). Young rabbits were studied in five groups [healthy, PLV with perflubron (PFB) or with perfluorodecalin (DEC); saline lavage injury and conventional mechanical ventilation (CMV); saline lavage injury PLV with PFB or with DEC]. Arterial blood chemistry, respiratory compliance (Cr), quantitative computed tomography of PFC distribution, and PFC loss rate were assessed for 4 h. Initial distribution of PFB was more homogenous than that of DEC; over time, PFB redistributed to dependent regions whereas DEC distribution was relatively constant. PFC loss rate decreased over time in all groups, was higher with DEC than PFB, and was lower with injury. In healthy animals, arterial PO(2) (Pa(O(2))) and Cr decreased with either PFC; the decrease was greater and sustained with DEC. Lavaged animals treated with either PFC demonstrated increased Pa(O(2)), which was sustained with PFB but deteriorated with DEC. Lavaged animals treated with PFB demonstrated increased Cr, higher Pa(O(2)), and lower arterial PCO(2) than with CMV or PLV with DEC. The results indicate that 1) initial distribution and subsequent intrapulmonary redistribution of PFC are related to PFC properties; 2) PFC distribution influences PFC elimination, gas exchange, and Cr; and 3) PFC elimination, gas exchange, and Cr are influenced by PFC properties and lung condition.
ANALYSIS OF DRAFTING EFFECTS IN SWIMMING USING COMPUTATIONAL FLUID DYNAMICS
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António José Silva
2008-03-01
Full Text Available The purpose of this study was to determine the effect of drafting distance on the drag coefficient in swimming. A k-epsilon turbulent model was implemented in the commercial code Fluent® and applied to the fluid flow around two swimmers in a drafting situation. Numerical simulations were conducted for various distances between swimmers (0.5-8.0 m and swimming velocities (1.6-2.0 m.s-1. Drag coefficient (Cd was computed for each one of the distances and velocities. We found that the drag coefficient of the leading swimmer decreased as the flow velocity increased. The relative drag coefficient of the back swimmer was lower (about 56% of the leading swimmer for the smallest inter-swimmer distance (0.5 m. This value increased progressively until the distance between swimmers reached 6.0 m, where the relative drag coefficient of the back swimmer was about 84% of the leading swimmer. The results indicated that the Cd of the back swimmer was equal to that of the leading swimmer at distances ranging from 6.45 to 8. 90 m. We conclude that these distances allow the swimmers to be in the same hydrodynamic conditions during training and competitions.
Interference effects in the nonlinear charge density wave dynamics
International Nuclear Information System (INIS)
Jelcic, D.; Batistic, I.; Bjelis, A.
1987-12-01
The main features of the nonlinear charge density wave transport in the external dc-ac field are shown to be the natural consequences of resonant phase slip diffusion. This process is treated numerically within the time dependent Landau-Ginzburg model, developed by Gor'kov. The resonances in the ac field are manifested as Shapiro steps in I-V characteristics, present at all rational ratios of internal frequency of current oscillations and external ac frequency. The origin of Shapiro steps, as well as their forms and heights, are cosidered in detail. In particular, it is shown that close to resonances the phase slip voltage acquires a highly nonsinusoidal modulation which leads to the appearance of low frequency and satellite peaks in the Fourier spectrum. Taking into account the interference of adjacent phase slips and the segment or domain structure of physical samples, we interpret the finite width of steps, side wings, synchronization, incomplete and complete mode locking and some other effects observed in numerous experiments on NbSe 3 and other CDW materials. (author). 36 refs, 12 figs
DEFF Research Database (Denmark)
Blekhman, I. I.; Sorokin, V. S.
2016-01-01
A general approach to study effects produced by oscillations applied to nonlinear dynamic systems is developed. It implies a transition from initial governing equations of motion to much more simple equations describing only the main slow component of motions (the vibro-transformed dynamics...... equations). The approach is named as the oscillatory strobodynamics, since motions are perceived as under a stroboscopic light. The vibro-transformed dynamics equations comprise terms that capture the averaged effect of oscillations. The method of direct separation of motions appears to be an efficient...... and simple tool to derive these equations. A modification of the method applicable to study problems that do not imply restrictions on the spectrum of excitation frequencies is proposed. It allows also to abandon other restrictions usually introduced when employing the classical asymptotic methods, e...
Amiri-Khorasani, Mohammadtaghi; Kellis, Eleftherios
2013-01-01
The purpose of this study was to compare the effects of static and dynamic stretching on quadriceps muscle activation during maximal soccer instep kicking. The kicking motion of twelve male college soccer players (body height: 174.66 ± 5.01 cm; body mass: 72.83 ± 4.83 kg; age: 18.83 ± 0.75 years) was captured using six synchronized high-speed infra-red cameras whilst electromyography (EMG) signals from vastus medialis (VM), lateralis (VL) and rectus femoris (RF) were recorded before and after static or dynamic stretching. Analysis of variance designs showed a higher increase in knee extension angular velocity (9.65% vs. −1.45%, p stretching exercises. Based on these results, it could be suggested that dynamic stretching is probably more effective in increasing quadriceps muscle activity and knee extension angular velocity during the final swing phase of a maximal soccer instep kick than static stretching. PMID:24511339
EFFECTS OF DYNAMIC AND STATIC STRETCHING WITHIN GENERAL AND ACTIVITY SPECIFIC WARM-UP PROTOCOLS
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Michael Samson
2012-06-01
Full Text Available The purpose of the study was to determine the effects of static and dynamic stretching protocols within general and activity specific warm-ups. Nine male and ten female subjects were tested under four warm-up conditions including a 1 general aerobic warm-up with static stretching, 2 general aerobic warm-up with dynamic stretching, 3 general and specific warm-up with static stretching and 4 general and specific warm-up with dynamic stretching. Following all conditions, subjects were tested for movement time (kicking movement of leg over 0.5 m distance, countermovement jump height, sit and reach flexibility and 6 repetitions of 20 metre sprints. Results indicated that when a sport specific warm-up was included, there was an 0.94% improvement (p = 0.0013 in 20 meter sprint time with both the dynamic and static stretch groups. No such difference in sprint performance between dynamic and static stretch groups existed in the absence of the sport specific warm-up. The static stretch condition increased sit and reach range of motion (ROM by 2.8% more (p = 0.0083 than the dynamic condition. These results would support the use of static stretching within an activity specific warm-up to ensure maximal ROM along with an enhancement in sprint performance
International Nuclear Information System (INIS)
Fujiwara, Yoshikazu; Hibino, Satoshi; Kanagawa, Tadashi; Komada, Hiroya; Nakagawa, Kameichiro
1984-01-01
The main structures of nuclear power plants are built on hard and soft rocks. The rock-dynamic properties used for investigating the stability of the structures have been determined so far by laboratory tests for soft rocks. In hard rocks, however, joints and cracks exist, and the test including these effects is not able to be performed in laboratories at present. Therefore, a dynamic repeating shearing test equipment to be used under the condition including the joints and cracks of actual ground has been made for a base rock of tuff breccia. In this paper, the test results are reported as follows. The geological features of the testing site and the arrangement of tested rocks, the preparation for tests, test equipment, loading method, measuring method, analysis, and the result and the examination. The results of dynamic deformation and failure characteristics were as follows: (1) the dynamic shear-elasticity-modulus Gd of the base rock showed greater values as the normal stress increased, while Gd decreased and showed the strain dependence as the dynamic shear strain amplitude γ increased; (2) the relationship between Gd and γ was well represented with the equation proposed by Hardin-Drnevich; (3) damping ratio increased as γ increased, and decreased as normal stress increased; (4) When a specimen was about to break, γ suddenly increased, and the dynamic shear strain amplitude at yield point was in the range of approximately (3.4 to 4.1) x 10 -3 . (Wakatsuki, Y.)
Conformational dynamics of human protein kinase CK2α and its effect on function and inhibition.
Srivastava, Ashutosh; Hirota, Tsuyoshi; Irle, Stephan; Tama, Florence
2018-03-01
Protein kinase, casein kinase II (CK2), is ubiquitously expressed and highly conserved protein kinase that shows constitutive activity. It phosphorylates a diverse set of proteins and plays crucial role in several cellular processes. The catalytic subunit of this enzyme (CK2α) shows remarkable flexibility as evidenced in numerous crystal structures determined till now. Here, using analysis of multiple crystal structures and long timescale molecular dynamics simulations, we explore the conformational flexibility of CK2α. The enzyme shows considerably higher flexibility in the solution as compared to that observed in crystal structure ensemble. Multiple conformations of hinge region, located near the active site, were observed during the dynamics. We further observed that among these multiple conformations, the most populated conformational state was inadequately represented in the crystal structure ensemble. The catalytic spine, was found to be less dismantled in this state as compared to the "open" hinge/αD state crystal structures. The comparison of dynamics in unbound (Apo) state and inhibitor (CX4945) bound state exhibits inhibitor induced suppression in the overall dynamics of the enzyme. This is especially true for functionally important glycine-rich loop above the active site. Together, this work gives novel insights into the dynamics of CK2α in solution and relates it to the function. This work also explains the effect of inhibitor on the dynamics of CK2α and paves way for development of better inhibitors. © 2017 Wiley Periodicals, Inc.
The effect of cyclic and dynamic loads on carbon steel pipe
International Nuclear Information System (INIS)
Rudland, D.L.; Scott, P.M.; Wilkowski, G.M.
1996-02-01
This report presents the results of four 152-mm (6-inch) diameter, unpressurized, circumferential through-wall-cracked, dynamic pipe experiments fabricated from STS410 carbon steel pipe manufactured in Japan. For three of these experiments, the through-wall crack was in the base metal. The displacement histories applied to these experiments were a quasi-static monotonic, dynamic monotonic, and dynamic, cyclic (R = -1) history. The through-wall crack for the third experiment was in a tungsten-inert-gas weld, fabricated in Japan, joining two lengths of STS410 pipe. The displacement history for this experiment was the same history applied to the dynamic, cyclic base metal experiment. The test temperature for each experiment was 300 C (572 F). The objective of these experiments was to compare a Japanese carbon steel pipe material with US pipe material, to ascertain whether this Japanese steel was as sensitive to dynamic and cyclic effects as US carbon steel pipe. In support of these pipe experiments, quasi-static and dynamic, tensile and fracture toughness tests were conducted. An analysis effort was performed that involved comparing experimental crack initiation and maximum moments with predictions based on available fracture prediction models, and calculating J-R curves for the pipe experiments using the η-factor method
Scale and size effects in dynamic fracture of concretes and rocks
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Petrov Y.
2015-01-01
Full Text Available Structural-temporal approach based on the notion of incubation time is used for interpretation of strain-rate effects in the fracture process of concretes and rocks. It is established that temporal dependences of concretes and rocks are calculated by the incubation time criterion. Experimentally observed different relations between ultimate stresses of concrete and mortar in static and dynamic conditions are explained. It is obtained that compressive strength of mortar at a low strain rate is greater than that of concrete, but at a high strain rate the opposite is true. Influence of confinement pressure on the mechanism of dynamic strength for concretes and rocks is discussed. Both size effect and scale effect for concrete and rocks samples subjected to impact loading are analyzed. Statistical nature of a size effect contrasts to a scale effect that is related to the definition of a spatio-temporal representative volume determining the fracture event on the given scale level.
Algorithm to illustrate context using dynamic lighting effects
John, Roshy M.; Balasubramanian, T.
2007-09-01
With the invention of Ultra-Bright LED, solid state lighting has come to something which is much more efficient and energy saving when compared to conventional incandescent or fluorescent lighting. With the use of proper driver electronics now a days it is possible to install solid state lighting systems with the cost same as that of any other lighting technology. This paper is a part of the research project we are doing in our lab, which deals with using ultra bright LEDs of different colors for lighting applications. The driver electronics are made in such a way that, the color and brightness of the lights will change according to context. For instance, if one of the users is reading a story or listening to music in a Personal Computer or in a hand held device such as a PDA, the lighting systems and the HVAC (Heating Ventilation Air-conditioning) systems will change dramatically according to the content of the story or the music. The vulnerability of solid-state lighting helps to accomplish such an effect. Such a type of system will help the reader to feel the story mentally and physically as well. We developed complete driver electronics for the system using multiple microcomputers and a full software suite which uses complex algorithms to decode the context from text or music and synchronize it to lighting and HVAC information. The paper also presents some case-study statistics which shows the advantage of using the system to teach kindergarten children, deaf and dumb children and for language learning classes.
Acute effects of flexible pole exercise on heart rate dynamics.
de Oliveira, Letícia Santana; Moreira, Patrícia S; Antonio, Ana M; Cardoso, Marco A; de Abreu, Luiz Carlos; Navega, Marcelo T; Raimundo, Rodrigo D; Valenti, Vitor E
2015-01-01
Exercise with flexible poles provides fast eccentric and concentric muscle contractions. Although the literature reports significant muscle chain activity during this exercise, it is not clear if a single bout of exercise induces cardiac changes. In this study we assessed the acute effects of flexible pole exercise on cardiac autonomic regulation. The study was performed on 22 women between 18 and 26 years old. We assessed heart rate variability (HRV) in the time (SDNN, RMSSD and pNN50) and frequency (HF, LF and LF/HF ratio) domains and geometric indices of HRV (RRTri, TINN, SD1, SD2 and SD1/SD2 ratio). The subjects remained at rest for 10 min and then performed the exercises with the flexible poles. Immediately after the exercise protocol, the volunteers remained seated at rest for 60 min and HRV was analyzed. We observed no significant changes in time domain (SDNN: p=0.72; RMSSD: p=0.94 and pNN50: p=0.92) or frequency domain indices (LF [nu]: p=0.98; LF [ms(2)]: p=0.72; HF [nu]: p=0.98; HF [ms(2)]: p=0.82 and LF/HF ratio: p=0.7) or in geometric indices (RRTri: p=0.54; TINN: p=0.77; SD1: p=0.94; SD2: p=0.67 and SD/SD2: p=0.42) before and after a single bout of flexible pole exercise. A single bout of flexible pole exercise did not induce significant changes in cardiac autonomic regulation in healthy women. Copyright © 2014 Sociedade Portuguesa de Cardiologia. Published by Elsevier España. All rights reserved.
Aerts, R; Callaghan, T V; Dorrepaal, E; van Logtestijn, R S P; Cornelissen, J H C
2012-11-01
Litter decomposition and nutrient mineralization in high-latitude peatlands are constrained by low temperatures. So far, little is known about the effects of seasonal components of climate change (higher spring and summer temperatures, more snow which leads to higher winter soil temperatures) on these processes. In a 4-year field experiment, we manipulated these seasonal components in a sub-arctic bog and studied the effects on the decomposition and N and P dynamics of leaf litter of Calamagrostis lapponica, Betula nana, and Rubus chamaemorus, incubated both in a common ambient environment and in the treatment plots. Mass loss in the controls increased in the order Calamagrostis Litter chemistry showed within each incubation environment only a few and species-specific responses. Compared to the interspecific differences, they resulted in only moderate climate treatment effects on mass loss and these differed among seasons and species. Neither N nor P mineralization in the litter were affected by the incubation environment. Remarkably, for all species, no net N mineralization had occurred in any of the treatments during 4 years. Species differed in P-release patterns, and summer warming strongly stimulated P release for all species. Thus, moderate changes in summer temperatures and/or winter snow addition have limited effects on litter decomposition rates and N dynamics, but summer warming does stimulate litter P release. As a result, N-limitation of plant growth in this sub-arctic bog may be sustained or even further promoted.
Nernst effect, Seebeck effect, and vortex dynamics in the mixed state of superconductors
International Nuclear Information System (INIS)
Ao, P.
1997-01-01
The author demonstrates that in the presence of pinning a simple relation exists between Nernst and Seebeck coefficients and the resistivity tensor, based on the vortex equation of motion and the two-fluid model. Thus the combination of the electric and thermoelectric transport experiments can be used to test the basic models for the vortex dynamics in superconductors. Then the author shows how two different vortex dynamics models can be subjected to these tests. The vortex dynamics model without various normal fluid drag forces is consistent with those experiments, and that the alternative model with those drag forces is not
On quantum effects in the dynamics of macroscopic test masses
International Nuclear Information System (INIS)
Mueller-Ebhardt, Helge
2009-01-01
This thesis provides theoretically a link between the increase of the sensitivity of gravitational-wave detectors and the possibility of preparing macroscopic quantum states in such detectors. In the first part of this thesis, we theoretically explore the quantum measurement noise of an optical speed meter topology, the Sagnac interferometer, equipped with an additional detuned cavity at the output port. This detuned signal-recycling technique was already investigated when applying it to a Michelson interferometer and is used in the gravitational-wave detector GEO600. Together with the quantum noise analysis of the simple Sagnac interferometer, it is the basis of our study: we optimize the Sagnac interferometer's sensitivity towards the detection of a certain gravitational-wave source in the vicinity of a realistic classical noise environment. Motivated by the fact that the Michelson interferometer, as a position meter, with detuned signal-recycling can transduce the gravitational-wave strain into real mirror motion, we compare the transducer effect in a speed and in a position meter. Furthermore, we theoretically investigate the conditional output squeezing of a cavity which is detuned with respect to its carrier and its subcarrier. Therewith we pursue the theoretical analysis of the ponderomotive squeezer. With the knowledge gained in the first part about the quantum measurement process in laser interferometers, the second part of this thesis comprises a theoretical analysis of the conditonal state in positon and momentum of the interferometer's test masses. We motivate not to obtain the conditional states from a stochastic master equation but with the help of the so-called Wiener filtering method. Using this method, we calculate the most general expression for the conditional covariance matrix of the Gaussian state of a test mass under any linear Markovian measurement process. Then we specify to the interferometry and theoretically show under which circumstances
International Nuclear Information System (INIS)
Han Wenbiao; Cao Zhoujian
2011-01-01
A new scheme for computing dynamical evolutions and gravitational radiations for intermediate-mass-ratio inspirals (IMRIs) based on an effective one-body (EOB) dynamics plus Teukolsky perturbation theory is built in this paper. In the EOB framework, the dynamic essentially affects the resulted gravitational waveform for a binary compact star system. This dynamic includes two parts. One is the conservative part, which comes from effective one-body reduction. The other part is the gravitational backreaction, which contributes to the shrinking process of the inspiral of a binary compact star system. Previous works used an analytical waveform to construct this backreaction term. Since the analytical form is based on post-Newtonian expansion, the consistency of this term is always checked by numerical energy flux. Here, we directly use numerical energy flux by solving the Teukolsky equation via the frequency-domain method to construct this backreaction term. The conservative correction to the leading order terms in mass-ratio is included in the deformed-Kerr metric and the EOB Hamiltonian. We try to use this method to simulate not only quasicircular adiabatic inspiral, but also the nonadiabatic plunge phase. For several different spinning black holes, we demonstrate and compare the resulted dynamical evolutions and gravitational waveforms.
Nonlinear Dynamics and Chaos of Microcantilever-Based TM-AFMs with Squeeze Film Damping Effects
Directory of Open Access Journals (Sweden)
Jie-Yu Chen
2009-05-01
Full Text Available In Atomic force microscope (AFM examination of a vibrating microcantilever, the nonlinear tip-sample interaction would greatly influence the dynamics of the cantilever. In this paper, the nonlinear dynamics and chaos of a tip-sample dynamic system being run in the tapping mode (TM were investigated by considering the effects of hydrodynamic loading and squeeze film damping. The microcantilever was modeled as a spring-mass-damping system and the interaction between the tip and the sample was described by the Lennard-Jones (LJ potential. The fundamental frequency and quality factor were calculated from the transient oscillations of the microcantilever vibrating in air. Numerical simulations were carried out to study the coupled nonlinear dynamic system using the bifurcation diagram, Poincaré maps, largest Lyapunov exponent, phase portraits and time histories. Results indicated the occurrence of periodic and chaotic motions and provided a comprehensive understanding of the hydrodynamic loading of microcantilevers. It was demonstrated that the coupled dynamic system will experience complex nonlinear oscillation as the system parameters change and the effect of squeeze film damping is not negligible on the micro-scale.
Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics
Tao, Xuecheng; Shushkov, Philip; Miller, Thomas F.
2018-03-01
We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is introduced such that Boltzmann sampling of the isomorphic Hamiltonian with classical nuclear degrees of freedom yields the exact quantum Boltzmann distribution for the original physical system. In the limit of a single electronic energy level, the isomorphic Hamiltonian reduces to the familiar cases of either ring polymer molecular dynamics (RPMD) or centroid molecular dynamics Hamiltonians, depending on the implementation. An advantage of the isomorphic Hamiltonian is that it can easily be combined with existing mixed quantum-classical dynamics methods, such as surface hopping or Ehrenfest dynamics, to enable the simulation of electronically non-adiabatic processes with nuclear quantum effects. We present numerical applications of the isomorphic Hamiltonian to model two- and three-level systems, with encouraging results that include improvement upon a previously reported combination of RPMD with surface hopping in the deep-tunneling regime.
The effect of trunk coordination exercise on dynamic postural control using a Core Noodle.
Miyake, Yuki; Nakamura, Shinichiro; Nakajima, Masaaki
2014-10-01
To investigate the influence of trunk coordination exercise on dynamic postural control relative to postural sway. The effects of trunk coordination exercises were examined using a Core Noodle for the postural sway in healthy students who were assigned to an exercise or control group. The independent variable was the extent of exposure to Core Noodle exercise, and the dependent variable was dynamic postural control. A stabilometer, which measures dynamic postural control, was used to evaluate the effectiveness of the exercises. In addition, center of gravity movements were assessed using a Gravicorder G-620 stabilometer in which the subject was asked to shift their center of gravity between 2 circles on a computer monitor. Pre- and post-intervention dynamic postural control was statistically evaluated between the exercise group and control group using the Mann-Whitney test. Finally, we investigated the application of these exercises for a stroke patient. For post-intervention, the envelop area, mean length of the pathways between 2 circles, and the number of circles were significantly higher in the exercise group. Trunk coordination exercise performed Core Noodle may be used to enhance the dynamic postural balance of healthy young adults, and it can also be adapted for stroke patients. Copyright © 2013 Elsevier Ltd. All rights reserved.
Effect of sample shape on nonlinear magnetization dynamics under an external magnetic field
International Nuclear Information System (INIS)
Vagin, Dmitry V.; Polyakov, Oleg P.
2008-01-01
Effect of sample shape on the nonlinear collective dynamics of magnetic moments in the presence of oscillating and constant external magnetic fields is studied using the Landau-Lifshitz-Gilbert (LLG) approach. The uniformly magnetized sample is considered to be an ellipsoidal axially symmetric particle described by demagnetization factors and uniaxial crystallographic anisotropy formed some angle with an applied field direction. It is investigated as to how the change in particle shape affects its nonlinear magnetization dynamics. To produce a regular study, all results are presented in the form of bifurcation diagrams for all sufficient dynamics regimes of the considered system. In this paper, we show that the sample's (particle's) shape and its orientation with respect to the external field (system configuration) determine the character of magnetization dynamics: deterministic behavior and appearance of chaotic states. A simple change in the system's configuration or in the shapes of its parts can transfer it from chaotic to periodic or even static regime and back. Moreover, the effect of magnetization precession stall and magnetic moments alignment parallel or antiparallel to the external oscillating field is revealed and the way of control of such 'polarized' states is found. Our results suggest that varying the particle's shape and fields' geometry may provide a useful way of magnetization dynamics control in complex magnetic systems
International Nuclear Information System (INIS)
Saddiqi, F.A.; Masood, T.
2017-01-01
To determine the effects of dynamic posturographic balance training versus conventional balance training in improving mobility and balance in elderly. Methodology: Forty subjects between 50 to 80 years of age were selected via non-probability convenience sampling technique, for this randomized controlled trial. Both females and males with no major co-morbid conditions and cognitive impairments were recruited and randomized via coin toss method into two equal groups: Dynamic Posturographic balance training (DPG) group and Conventional balance training (CBT) group. The DPG training was provided via Biodex Balance System (Static and Dynamic). Both groups received interventions 3 times (35 to 45min each day) a week for 8 weeks, after which terminal assessment was done. Data were collected on demographic profile, balance via berg balance score and mobility by using Timed Up and Go Test. Independent samples t test was used to check difference between CBT group and DPG Group and repeated measures Analysis of Variance (ANOVA) was used for within-group analysis. Results: Baseline analysis of Berg balance scale and timed up and go test between two groups showed no significant difference with (p 0.805 and 0.251, respectively). After 8 weeks of intervention, there was significant difference between the groups in both variables (p 0.019 and 0.001, respectively). Conclusion: Dynamic posturographic balance training was more effective in improving dynamic balance and mobility in elderly population in comparison to conventional balance training. (author)
Chain length effect on dynamical structure of poly(vinyl pyrrolidone ...
Indian Academy of Sciences (India)
interpreted by the consideration of a wait-and-switch model in the local structure of self- associated ethyl alcohol ... effect of PVP chain length on the molecular dynamics, chain flexibility and stretching of PEG molecules in .... of PVP monomer unit as compared to the group moment value of the chain end hydroxyl group of ...
Dynamic effects of social influence and direct marketing on the adoption of high-technology products
Risselada, H.; Verhoef, P.C.; Bijmolt, T.H.A.
Many firms capitalize on their customers' social networks to improve the success rate of their new products. In this article, the authors analyze the dynamic effects of social influence and direct marketing on the adoption of a new high-technology product. Social influence is likely to play a role
Stand dynamics of an oak woodland forest and effects of a restoration treatment on forest health
Stacy L. Clark; Callie J. Schweitzer
2016-01-01
Woodland restoration has been conducted in many countries, primarily in Mediterranean regions, but has only recently been attempted on publically and privately owned lands in the eastern United States. We reconstructed historical stand dynamics and tested the immediate effects of an oak