Jahn-Teller effect: its history and applicability
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
Gali, Adam; Thiering, Gergő
Dopants in solids are promising candidates for implementations of quantum bits for quantum computing. In particular, the high-spin negatively charged nitrogen-vacancy defect (NV) in diamond has become a leading contender in solid-state quantum information processing. The initialization and readout of the spin is based on the spin-selective decay of the photo-excited electron to the ground state which is mediated by spin-orbit coupling between excited states states and phonons. Generally, the spin-orbit coupling plays a crucial role in the optical spinpolarization and readout of NV quantum bit (qubit) and alike. Strong electron-phonon coupling in dynamic Jahn-Teller (DJT) systems can substantially influence the effective strength of spin-orbit coupling. Here we show by ab initio supercell density functional theory (DFT) calculations that the intrinsic spin-orbit coupling is strongly damped by DJT effect in the triplet excited state that has a consequence on the rate of non-radiative decay. This theory is applied to the ground state of silicon-vacancy (SiV) and germanium-vacancy (GeV) centers in their negatively charged state that can also act like qubits. We show that the intrinsic spin-orbit coupling in SiV and GeV centers is in the 100 GHz region, in contrast to the NV center of 10 GHz region. Our results provide deep insight in the nature of SiV and GeV qubits in diamond. EU FP7 DIADEMS project (Contract No. 611143).
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
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.
Relativistic Jahn-Teller effect in tetrahedral systems
Opalka, Daniel; Domcke, Wolfgang; Segado, Mireia; Poluyanov, Leonid V.
2010-01-01
It is shown that orbitally degenerate states in highly symmetric systems are split by Jahn-Teller forces which are of relativistic origin (that is, they arise from the spin-orbit coupling operator). For the example of tetrahedral systems, the relativistic Jahn-Teller Hamiltonians of orbitally degenerate electronic states with spin 1/2 are derived. While both electrostatic and relativistic forces contribute to the Jahn-Teller activity of vibrational modes of E and T 2 symmetry in 2 T 2 states of tetrahedral systems, the electrostatic and relativistic Jahn-Teller couplings are complementary for 2 E states: The E mode is Jahn-Teller active through electrostatic forces, while the T 2 mode is Jahn-Teller active through the relativistic forces. The relativistic Jahn-Teller parameters have been computed with ab initio relativistic electronic-structure methods. It is shown for the example of the tetrahedral cluster cations of the group V elements that the relativistic Jahn-Teller couplings can be of the same order of magnitude as the familiar electrostatic Jahn-Teller couplings for the heavier elements.
Jahn-Teller effect in molecular electronics: quantum cellular automata
Tsukerblat, B.; Palii, A.; Clemente-Juan, J. M.; Coronado, E.
2017-05-01
The article summarizes the main results of application of the theory of the Jahn-Teller (JT) and pseudo JT effects to the description of molecular quantum dot cellular automata (QCA), a new paradigm of quantum computing. The following issues are discussed: 1) QCA as a new paradigm of quantum computing, principles and advantages; 2) molecular implementation of QCA; 3) role of the JT effect in charge trapping, encoding of binary information in the quantum cell and non-linear cell-cell response; 4) spin-switching in molecular QCA based on mixed-valence cell; 5) intervalence optical absorption in tetrameric molecular mixed-valence cell through the symmetry assisted approach to the multimode/multilevel JT and pseudo JT problems.
An EPR investigation of the dynamic Jahn-Teller effect in SrCl2:y(2 plus) and SrCl2:Sc(2 plus)
Herrington, J. R.; Estle, T. L.; Boatner, L. A.
1972-01-01
EPR spectra have been observed for SrCl2:Y(2+) and SrCl2:Sc(2+) at liquid helium temperatures. At 1.2 K the spectra were dominated by anisotropic hyperfine patterns whose lineshapes and angular dependences were explained using second order solutions of the effective Hamiltonian for an isolated 2Eg state split by large random internal strains. Pronounced asymmetries in some of the strin produced lineshapes for Srcl2:Sc(2+) are shown to result from second order terms in the solution of the effective Hamiltonian. Coexisting with the anisotropic hyperfine patterns are weak nearly isotropic hyperfine patterns with typical lineshapes. Variations in the apparent intensity of lines in these weak hyperfine patterns as functions of the applied magnetic field direction and temperature imply that these lines result from averaging by vibronic relaxation of a portion of the anisotropic pattern. The effective Hamiltonian parameters for SrCl2:La(2+), SrCl2:y(2+), and SrCl2:SC(2+) are analyzed in terms of crystal field theory modified to include a dynamic Jahn-Teller effect.
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)
Jahn-Teller effect in Rydberg series: A multi-state vibronic coupling problem
Staib, A.; Domcke, W.; Sobolewski, A.L.
1990-01-01
Two simple limiting cases of Jahn-Teller (JT) coupling in Rydberg states of polyatomic molecules are considered, namely (i) JT coupling in Rydberg orbitals as well as in the ionization continuum (nondegenerate ion core, degenerate Rydberg series) and (ii) JT coupling in the ion core (degenerate ion core, nondegenerate Rydberg series). For both models simple and efficient algorithms for the computation of spectra (dynamical JT effect) are developed. The orbital JT effect is shown to represent a novel type of multi-state vibronic coupling, giving rise to interesting spectroscopic phenomena, among them resonant inter-Rydberg perturbations and JT induced autoionization. Particular attention is paid to the demonstration of the characteristic spectroscopic signatures of the two types of JT coupling in Rydberg states. (orig.)
The effect of band Jahn-Teller distortion on the magnetoresistivity of manganites: a model study
Rout, G C; Panda, Saswati; Behera, S N
2011-01-01
We present a model study of magnetoresistance through the interplay of magnetisation, structural distortion and external magnetic field for the manganite systems. The manganite system is described by the Hamiltonian which consists of the s-d type double exchange interaction, Heisenberg spin-spin interaction among the core electrons, and the static and dynamic band Jahn-Teller (JT) interaction in the e g band. The relaxation time of the e g electron is found from the imaginary part of the Green's function using the total Hamiltonian consisting of the interactions due to the electron and phonon. The calculated resistivity exhibits a peak in the pure JT distorted insulating phase separating the low temperature metallic ferromagnetic phase and the high temperature paramagnetic phase. The resistivity is suppressed with the increase of the external magnetic field. The e g electron band splitting and its effect on magnetoresistivity is reported here. (paper)
The effect of band Jahn-Teller distortion on the magnetoresistivity of manganites: a model study
Rout, G C [Condensed Matter Physics Group, P G Department of Applied Physics and Ballistics, F M University, Balasore 756 019 (India); Panda, Saswati [Trident Academy of Technology, F2/A, Chandaka Industrial Estate, Bhubaneswar 751 024 (India); Behera, S N, E-mail: gcr@iopb.res.in, E-mail: saswatip7@gmail.com [National Institute of Science and Technology, Palur Hills, Berhampur 761 008 (India)
2011-10-05
We present a model study of magnetoresistance through the interplay of magnetisation, structural distortion and external magnetic field for the manganite systems. The manganite system is described by the Hamiltonian which consists of the s-d type double exchange interaction, Heisenberg spin-spin interaction among the core electrons, and the static and dynamic band Jahn-Teller (JT) interaction in the e{sub g} band. The relaxation time of the e{sub g} electron is found from the imaginary part of the Green's function using the total Hamiltonian consisting of the interactions due to the electron and phonon. The calculated resistivity exhibits a peak in the pure JT distorted insulating phase separating the low temperature metallic ferromagnetic phase and the high temperature paramagnetic phase. The resistivity is suppressed with the increase of the external magnetic field. The e{sub g} electron band splitting and its effect on magnetoresistivity is reported here. (paper)
The Jahn-Teller effect and its observation in titanium alum
Tregenna Piggott, P.
1996-01-01
Full text: A fundamental assumption, often employed to problems in solid state physics, is that a system may be well described within the confines of the Born-Oppenheimer approximation. As a consequence of the substantial difference of masses, the electrons are assumed to follow the motion of the nuclei adiabatically; hence, the motion of the electrons and nuclei are solved separately. As Jahn and Teller showed in 1936, any non-linear molecule having orbital degeneracy will be unstable to at least one asymmetric displacement which lifts the degeneracy. The wave equation must then be solved taking into account coupling between the electronic and nuclear motion. The E x β system, an electronic doublet coupled to a single mode of vibration, is introduced as an elementary example and is used to illustrate features characteristic of Jahn-Teller systems. The E x ε system is discussed in conjunction with work currently being undertaken on CsTi(SO 4 ) 2 .12H 2 O. In this alum, the [Ti(OH 2 ) 6 ] 3 + cation (3d 1 ) is subject to an axial field which acts to leave a doubly degenerate electronic ground term. Spectroscopic and crystallographic data show the salt to undergo a phase transition at 12 K which we associate with a Co-operative Jahn-Teller Effect manifested by the interaction of the Jahn-Teller electrons with the crystal lattice. Also presented are EPR and SQUID data which illustrate how the Jahn-Teller effect leads to quenching of orbital angular momentum and spin-orbit coupling
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
Effect of Jahn-Teller distortion on the short range magnetic order in copper ferrite
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.
Jahn-Teller effect versus Hund's rule coupling in C60N-
Wehrli, S.; Sigrist, M.
2007-09-01
We propose variational states for the ground state and the low-energy collective rotator excitations in negatively charged C60N- ions (N=1,…,5) . The approach includes the linear electron-phonon coupling and the Coulomb interaction on the same level. The electron-phonon coupling is treated within the effective mode approximation which yields the linear t1u⊗Hg Jahn-Teller problem whereas the Coulomb interaction gives rise to Hund’s rule coupling for N=2,3,4 . The Hamiltonian has accidental SO(3) symmetry which allows an elegant formulation in terms of angular momenta. Trial states are constructed from coherent states and using projection operators onto angular momentum subspaces which results in good variational states for the complete parameter range. The evaluation of the corresponding energies is to a large extent analytical. We use the approach for a detailed analysis of the competition between Jahn-Teller effect and Hund’s rule coupling, which determines the spin state for N=2,3,4 . We calculate the low-spin-high-spin gap for N=2,3,4 as a function of the Hund’s rule coupling constant J . We find that the experimentally measured gaps suggest a coupling constant in the range J=60-80meV . Using a finite value for J , we recalculate the ground state energies of the C60N- ions and find that the Jahn-Teller energy gain is partly counterbalanced by the Hund’s rule coupling. In particular, the ground state energies for N=2,3,4 are almost equal.
Breza, M.
2003-01-01
A group-theoretical analysis of Jahn-Teller distortions using step-by-step symmetry descent method is based on consecutive removal of symmetry elements during electron degeneracy splitting. The results of this treatment imply that the Jahn-Teller effect in D 6h parent symmetry group may result in stable geometries of D 2h , D 2 , C 2h , C 2v , C 2 , C i , C s and/or C 1 symmetries. The Jahn-Teller effect in D 5h parent group may result in C 2v , C 2 , C s and/or C 1 stable geometries. All these symmetry groups may correspond to classical saddle points of Jahn-Teller energy hypersurfaces. Possible electronic states in these geometries may be also predicted. Such complex hypersurfaces cannot be described by the classical treatments based on Jahn-Teller active coordinates
Rout, G.C., E-mail: gcr@iopb.res.i [Condensed Matter Physics Group, Department of Applied Physics and Ballistics, F.M. University, Balasore, Orissa 756019 (India); Parhi, Nilima [Department of Physics, M.P.C. (Autonomous) College, Baripada, Orissa 757001 (India); Behera, S.N. [Institute of Material Science, Bhubaneswar 751004 (India)
2009-08-01
A model calculation is presented in order to study the magneto-resistivity through the interplay between magnetic and structural transitions for the manganite systems. The model consists of an orbitally doubly degenerate conduction band and a periodic array of local moments of the t{sub 2g} electrons. The band electrons interact with the local t{sub 2g} electrons via the s-f hybridization. The phonons interact with the band electrons through static and dynamic band Jahn-Teller (J-T) interaction. The model Hamiltonian including the above terms is solved for the single particle Green's functions and the imaginary part of the self-energy gives the electron relaxation time. Thus the magneto-resistivity (MR) is calculated from the Drude formula. The MR effect is explained near the magnetic and structural transition temperatures.
Solomonik, V.G.; Pogrebnaya, T.P.
2001-01-01
The basic and the first exciting electronic state of the VF 4 , NbF 4 and TaF 4 molecules were studied by the self-consistent field multifunctional method in the approximation of active orbitals full space. The symmetry of these states is defined as 2 E and 2 T 2 at tetrahedron configuration of the nuclei. The energies of electron excitation 2 E → 2 T 2 comprise 11610 (VF 4 ), 13450 (NbF 4 ) and 12560 cm -1 (TaF 4 ). In line to Jahn-Teller theorem the calculations evidenced instability of tetrahedron configuration of the molecules in the orbital-singular electronic states 2 E and 2 T 2 . The properties of the systems of the molecule potential energies were found, in keeping with deformation of tetrahedron configuration of the nuclei along the oscillation coordinates of the e symmetry, active in the Jahn-Teller effect. Equilibrium geometric configuration of the molecules with the lowest energy has a symmetry D 2d as in the basic ( 2 A 1 ), so in the first excited electronic state. The energy of the adiabatic electronic excitation 2 A 1 → 2 B 2 is equal to 8440 (VF 4 ), 9050 (NbF 4 ) and 11920 cm -1 (TaF 4 ). Deviations of molecules equilibrium geometry on the structure of the normal tetrahedron and the energy of Jahn-Teller stabilization E JT grow essentially in the series of the molecules VF 4 → NbF 4 → TaF 4 : E JT =E(T d , 2 E)Epy - E(D 2d , 2 A 1 )=412, 1856, 5970 cm -1 ; E JT =E(T d , 2 T 2 ) - E(D 2d , 2 B 2 )=3584, 6259, 6611 cm -1 . The quadratic force constants, the frequencies of normal oscillations and the intensities in the IR spectra of the VF 4 , NbF 4 and TaF 4 molecules in the basic state were calculated [ru
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
2017-01-01
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. (paper)
Ifland, Benedikt; Hoffmann, Joerg; Kressdorf, Birte; Roddatis, Vladimir; Seibt, Michael; Jooss, Christian
2017-06-01
The effect of correlation effects on photovoltaic energy conversion at manganite/titanite heterojunctions is investigated. As a model system we choose a heterostructure consisting of the small polaron absorber Pr0.66Ca0.34MnO3 (PCMO) epitaxially grown on single-crystalline Nb-doped SrTi0.998Nb0.002O3 (STNO) substrates. The high structural and chemical quality of the interfaces is proved by detailed characterization using high-resolution transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS) studies. Spectrally resolved and temperature-dependent photovoltaic measurements show pronounced contributions of both the Jahn-Teller (JT) excitations and the charge transfer (CT) transitions to the photovoltaic effect at different photon energies. A linear temperature dependence of the open-circuit voltage for an excitation in the PCMO manganite is only observed below the charge-ordering temperature, indicating that the diffusion length of the photocarrier exceeds the size of the space charge region. The photovoltaic response is compared to that of a heterojunction of lightly doped Pr0.05Ca0.95MnO3 (CMO)/STNO, where the JT transition is absent. Here, significant contributions of the CT transition to the photovoltaic effect set in below the Neel temperature. We conclude that polaronic correlations and ordering effects are essentials for photovoltaic energy conversion in manganites.
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.
Kemmler-Sack, S; Rother, H J [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie
1979-01-01
The ordered perovskites Ba/sub 2/ZnUO/sub 6/ (cubic, space group Fm3m) and Ba/sub 2/CuUO/sub 6/ (tetragonal, space group I/sub 4//mmm) form solid solutions. For small Cu content the lattice symmetry is cubic, with x>=0.25 an increasing tetragonal distortion (c/a ..sqrt..2 > 1) is observed. From the vibrational spectra and in accordance with the factor group analysis the symmetry of the UO/sub 6/ octahedra is for small Cu content Osub(h) and on the Cu-rich side Dsub(4h). In the region of the lattice vibrations (T/sub 2/ field) the lifting of the degeneracy - due to the Jahn Teller effect of Cu/sup 2 +/ - leads to a band separation, which decreases with sinking copper content. Therefore the Jahn Teller effect is easily noticeable with vibrational spectroscopic methods. In the corresponding series with Wsup(VI) the vibrational spectroscopic investigations lead qualitatively to the same results as in the Usup(VI) system. As further examples the stacking polytypes Ba/sub 2/ZnTeO/sub 6/ and Ba/sub 2/CuTeO/sub 6/ are considered. The vibrational spectra show, that the Jahn Teller effect in this lattice, which is strengthened by partial face-sharing of octahedra, is less pronounced than in the perovskites in which only corner-sharing is present.
Tran, Henry K.; Stanton, John F.; Miller, Terry A.
2018-01-01
The limitations associated with the common practice of fitting a quadratic Hamiltonian to vibronic levels of a Jahn-Teller system have been explored quantitatively. Satisfactory results for the prototypical X∼2E‧ state of Li3 are obtained from fits to both experimental spectral data and to an "artificial" spectrum calculated by a quartic Hamiltonian which accurately reproduces the adiabatic potential obtained from state-of-the-art quantum chemistry calculations. However the values of the Jahn-Teller parameters, stabilization energy, and pseudo-rotation barrier obtained from the quadratic fit differ markedly from those associated with the ab initio potential. Nonetheless the RMS deviations of the fits are not strikingly different. Guidelines are suggested for comparing parameters obtained from fits to experiment to those obtained by direct calculation, but a principal conclusion of this work is that such comparisons must be done with a high degree of caution.
Chiu, Y.
1997-01-01
We use quantum molecular structure and spectroscopic thoughts of various possible vibronic interactions for the position space of two-electron geminal orbitals with Bloch sums. Our geminals have different degeneracy from one-electron molecular orbitals and are different from the momentum space of BCS free electrons. Based on Herzberg-Teller expansions, our consideration of the aspect of the Renner-Teller effect for cyclic boundary crystals (instead of the usual linear molecules) involves first-order vibronic interaction with isotope effects different from the second-order electron-phonon energy of BCS theory, bipolaron theory, etc. Our consideration of the Jahn-Teller effect with equal-minimum double-well potential leads to the intervalent charge transfer between two degenerate vibrationally affected electronic structures. Our considerations of different style vibrations other than the antisymmetric vibration for the nearest neighbor (e.g., displaced oscillator, etc.) may possibly be related to the case of special chemical structures with special doping and special coherence length. Our simple structural illustrations of such different vibronic Renner-Teller, Jahn-Teller effects and intervalent charge transfer (of La 2-x Sr x CuO 4 and YBa 2 Cu 3 O 7-x ) may promote some possible thoughts of quantum chemical structures compared and mixed with the physical treatments of special high-T c superconductors. copyright 1997 The American Physical Society
Off-center Jahn-Teller ion: coupled polar and tetragonal deformations
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 +
Webster, C. H.; Helme, L. M.; Boothroyd, A. T.; McMorrow, D. F.; Wilkins, S. B.; Detlefs, C.; Detlefs, B.; Bewley, R. I.; McKelvy, M. J.
2007-01-01
A synchrotron x-ray diffraction study of the crystallographic structure of PrO 2 in the Jahn-Teller distorted phase is reported. The distortion of the oxygen sublattice, which was previously ambiguous, is shown to be a chiral structure in which neighboring oxygen chains have opposite chiralities. A temperature dependent study of the magnetic excitation spectrum, probed by neutron inelastic scattering, is also reported. Changes in the energies and relative intensities of the crystal field transitions provide an insight into the interplay between the static and dynamic Jahn-Teller effects
Lee, Stephen; Hoffmann, Roald
2002-05-01
Transition metal elements, alloys, and intermetallic compounds often adopt the body centered cubic (bcc) and face centered cubic (fcc) structures. By comparing quantitative density functional with qualitative tight-binding calculations, we analyze the electronic factors which make the bcc and fcc structures energetically favorable. To do so, we develop a tight-binding function, DeltaE(star), a function that measures the energetic effects of transferring electrons within wave vector stars. This function allows one to connect distortions in solids to the Jahn-Teller effect in molecules and to provide an orbital perspective on structure determining deformations in alloys. We illustrate its use by considering first a two-dimensional square net. We then turn to three-dimensional fcc and bcc structures, and distortions of these. Using DeltaE(star), we rationalize the differences in energy of these structures. We are able to deduce which orbitals are responsible for instabilities in seven to nine valence electron per atom (e(-)/a) bcc systems and five and six e(-)/a fcc structures. Finally we demonstrate that these results account for the bcc and fcc type structures found in both the elements and binary intermetallic compounds of group 4 through 9 transition metal atoms. The outline of a theory of metal structure deformations based on loss of point group operation rather than translational symmetry is presented.
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...... of the calculated energy barriers for different Jahn–Teller systems allowed us to explain the origin of the compressed geometry observed for CaO:Ni+....
Pradhan, B.; Mohanta, K.L.; Rout, G.C.
2012-01-01
We report here a mean-field study of competing antiferromagnetism, superconductivity and lattice strain phases and their effect on the local density of states of the cuprate system. Our model Hamiltonian incorporating these interactions is reported earlier [G.C. Rout et al., Physica C, 2007]. The analytic expression for superconducting, antiferromagnetism and lattice strain order parameters are calculated and solved self-consistently. The interplay of these order parameters is investigated considering the calculated density of states (DOSs) of the conduction electrons. The DOS displays multiple gap structures with multiple peaks. It is suggested that the tunneling conductance data obtained from the scanning tunneling microscopy (STM) measurements could be interpreted by using the quasi-particle bands calculated from our model Hamiltonian. We have discussed the mechanism to calculate the order parameters from the conductance data.
On the interplay of Jahn-Teller physics and Mott physics in cuprates
Kamimura, H; Ushio, H
2008-01-01
The extended two-story house model which is now called the Kamimura-Suwa (K-S) model has clarified how the interplay of Mott physics and Jahn-Teller physics plays an important role in determining the superconducting as well as metallic state of underdoped cuprates. In this paper it is first pointed out for underdoped cuprates that Mott physics leads to the existence of local antiferromagnetic order constructed from the localized spins while that the anti-Jahn-Teller effect as a central issue of Jahn-Teller physics leads to the existence of two kinds of orbitals parallel and perpendicular to a CuO 2 plane whose states have nearly the same energy. As a result of the interplay of both physics the K-S model has shown that the exchange interactions between the spins of a localized hole and of a carrier hole play an important role in producing the coexistence of superconductivity and antiferromagnetism in underdoped cuprates. The appearance of d-wave superconductivity even in the phonon-involved mechanism is also shown to be due to the interplay of Jahn-Teller physics and Mott Physics. Brief review of these facts as well as the K-S model is given in this paper. More outstanding result in this paper is that the origin of pseudogap in the deeply underdoped regime has been clarified. In this paper it is shown theoretically for the first time that the so-called T* pseudogap observed in ARPES, STM and tunneling experiments below T c in underdoped cuprates corresponds to the real transition of photo-excited electrons from the occupied states in the originally conduction band below the superconducting gap to a free-electron state above the vacuum level. Thus we conclude that the T* pseudogap in the underdoped cuprates which increases with decreasing the hole concentration is not 'pseudo', but a real gap which exists even below T c
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.
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
Jahn-Teller effect and ferromagnetic ordering in La0.875Sr0.125MnO3: A reentrant behaviour
Pinsard, L.; Revcolevschi, A.; Anane, A.; Dupas, C.
1997-01-01
The compound La 0.875 Sr 0.125 MnO 3 undergoes a series of structural phase transitions in which different physical effects are involved. The compound is rhombohedral above T RO ∝400 K. On cooling, a phase transition to an orthorhombic Pbnm O-phase takes place at T RO , no significant orbital ordering is observed. At T OO' ∝270 K a structural phase transition to another orthorhombic (O') form takes place, and an orbital ordering appears due to a cooperative JT effect. For this temperature range the compound is a paramagnetic semiconductor. Upon cooling it becomes ferromagnetic at T C ∝180 K and the orbital ordering is partially suppressed. Below a temperature T O'O '' ∝150 K at which the average Mn magnetic moment is about 2μ B the orbital ordering is completely suppressed by a first order structural transition to another orthorhombic phase (O '' ) similar to the O-phase. Between T C and T O'O '' the compound is metallic and becomes a ferromagnetic insulator below T O'O '' where a canting of the ferromagnetic order appears. (orig.)
Pradhan, B. [Department of Physics, Govt. Science College, Malkangiri 764 048 (India); Mohanta, K.L. [Department of Physics, ITER, Siksha ' O' Anusandhan University, Bhubaneswar 751 030 (India); Rout, G.C., E-mail: gcr@iopb.res.in [Condensed Matter Physics Group, Dept. of Applied Physics and Ballistics, F.M. University, Balasore 756 019 (India)
2012-05-15
We report here a mean-field study of competing antiferromagnetism, superconductivity and lattice strain phases and their effect on the local density of states of the cuprate system. Our model Hamiltonian incorporating these interactions is reported earlier [G.C. Rout et al., Physica C, 2007]. The analytic expression for superconducting, antiferromagnetism and lattice strain order parameters are calculated and solved self-consistently. The interplay of these order parameters is investigated considering the calculated density of states (DOSs) of the conduction electrons. The DOS displays multiple gap structures with multiple peaks. It is suggested that the tunneling conductance data obtained from the scanning tunneling microscopy (STM) measurements could be interpreted by using the quasi-particle bands calculated from our model Hamiltonian. We have discussed the mechanism to calculate the order parameters from the conductance data.
Experimental confirmation of the Jahn-Teller distortion of CH4+
Gemmell, D.S.; Kanter, E.P.; Pietsch, W.J.
1979-01-01
Measured energy and angular distributions are reported for H + and C/sup n+/ (n = 2,3,4) fragments resulting from the collisional dissociation of 200-keV/amu CH/sub m/ + (m = 0 to 4) in thin carbon targets. From the systematic trends of these Coulomb explosion spectra, qualitative information can be obtained on the structures of these species. In particular, the series displays a narrowing of the carbon angular and energy widths as protons are symmetrically added around a central carbon atom and provide a focusing effect. Because of the Jahn-Teller distortion, the carbon width in CH 4 + is dramatically increased. 8 references
On the relation between Jahn-Teller ordering and charge ordering
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.)
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)
Ulanov, V A; Hoffmann, S K; Zaripov, M M
2003-01-01
Pressure and temperature variations of the spin-Hamiltonian parameters and electron paramagnetic resonance (EPR) linewidths of non-central Jahn-Teller [CuF sub 4 F sub 4] sup 6 sup - complexes in SrF sub 2 crystal were studied by continuous-wave EPR. It was found that the static spin-Hamiltonian parameters, found at T = 85 K and at normal pressure (g sub | sub | = 2.491, g sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r = 2.083, a sub p sub a sub r sub a sub l sub l sub e sub l = 360, a sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r = 26, A sub x sub ' sub ' = 96, A sub y sub ' sub ' = 99, A sub z sub ' sub ' = 403 and beta sub e sub x sub p = 17 diameter), are slightly changed with hydrostatic pressure and, at T = 85 K and P = 550 MPa, become equal to g sub | sub | = 2.489, g sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r = 2.083, a sub | sub | 348, a sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l s...
The Phenalenyl Free Radical - a Jahn-Teller D3H PAH
O'Connor, G. D.; Troy, T. P.; Roberts, D. A.; Chalyavi, N.; Fückel, B.; Crossley, M. J.; Nauta, K.; Schmidt, T. W.; Stanton, J. F.
2012-06-01
After benzene and naphthalene, the smallest polycyclic aromatic hydrocarbon bearing six-membered rings is the threefold-symmetric phenalenyl radical. Despite the fact that it is so fundamental, its electronic spectroscopy has not been rigorously scrutinized, in spite of growing interest in graphene fragments for molecular electronic applications. Here we used complementary laser spectroscopic techniques to probe the jet-cooled phenalenyl radical in vacuo. Its spectrum reveals the interplay between four electronic states that exhibit Jahn-Teller and pseudo-Jahn-Teller (Herzberg-Teller) vibronic coupling. The coupling mechanism has been elucidated by the application of various ab initio quantum-chemical techniques.
Quantum friction of pseudorotation in Jahn-Teller system: Passage through conical intersection
Pae, Kaja, E-mail: kaja.pae@gmail.com; Hizhnyakov, Vladimir [Institute of Physics, University of Tartu, W. Ostwaldi 1, 50411 Tartu (Estonia)
2016-08-14
A theoretical study of the relaxation of an excited impurity center with strong E × e-type Jahn-Teller effect, caused by the emission of phonons to the bulk, is presented. The dependence of the passing the system through the conical intersection of the potential surface on the momentum of the pseudorotation is figured out. An analytical description of the quantum states of the conical intersection (Slonczewski resonances) is given. It is found that for realistic vibronic interactions with phonons, the characteristic time of the energy loss is several tenths of mean periods of phonons, i.e., it is in the picosecond range. It is also found that there is a finite probability of the speeding-up of the pseudorotation of the system at the intermediate stage of relaxation. In particular, this probability increases close to the Slonczewski resonances. During the relaxation, the system may change the direction of the pseudomoment; the probability of such a change also increases near the resonances.
Jahn-Teller coupling at ND1 and GR1 centres in diamond
Lowther, J.E.
1978-01-01
Stress parameters associated with the splitting of the GR1 and ND1 lines are examined in the light of the recent suggestion that ND1 arises from the negatively charged vacancy. The stress parameters are totally consistent with this interpretation; Jahn-Teller coupling in the excited states being similar for both centres. (author)
Wave-Vector Dependence of the Jahn-Teller Interactions in TmVO4
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...
The T1u x 8 hg Jahn-Teller system - an improved model for the C60-molecule
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.)
Varandas, A J C; Sarkar, B
2011-05-14
Generalized Born-Oppenheimer equations including the geometrical phase effect are derived for three- and four-fold electronic manifolds in Jahn-Teller systems near the degeneracy seam. The method is readily extendable to N-fold systems of arbitrary dimension. An application is reported for a model threefold system, and the results are compared with Born-Oppenheimer (geometrical phase ignored), extended Born-Oppenheimer, and coupled three-state calculations. The theory shows unprecedented simplicity while depicting all features of more elaborated ones.
Rotational Parameters from Vibronic Eigenfunctions of Jahn-Teller Active Molecules
Garner, Scott M.; Miller, Terry A.
2017-06-01
The structure in rotational spectra of many free radical molecules is complicated by Jahn-Teller distortions. Understanding the magnitudes of these distortions is vital to determining the equilibrium geometric structure and details of potential energy surfaces predicted from electronic structure calculations. For example, in the recently studied {\\widetilde{A}^2E^{''} } state of the NO_3 radical, the magnitudes of distortions are yet to be well understood as results from experimental spectroscopic studies of its vibrational and rotational structure disagree with results from electronic structure calculations of the potential energy surface. By fitting either vibrationally resolved spectra or vibronic levels determined by a calculated potential energy surface, we obtain vibronic eigenfunctions for the system as linear combinations of basis functions from products of harmonic oscillators and the degenerate components of the electronic state. Using these vibronic eigenfunctions we are able to predict parameters in the rotational Hamiltonian such as the Watson Jahn-Teller distortion term, h_1, and compare with the results from the analysis of rotational experiments.
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...... transitions for CuF64- units formed in Cu2+-doped the tetragonal Ba2ZnF6 host lattice. While the experimental d-d transitions cannot be reproduced through the isolated CuF64- unit at the equilibrium geometry, a reasonable agreement is reached adding in the calculation the internal electric field, ER...... 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...
Conduction band-edge d-states in high-k dielectrics due to Jahn-Teller term splittings
Lucovsky, G.; Fulton, C.C.; Zhang, Y.; Luning, J.; Edge, L.; Whitten, J.L.; Nemanich, R.J.; Schlom, D.G.; Afanase'v, V.V.
2005-01-01
X-ray absorption spectroscopy (XAS) is used to study conduction band edge electronic structure of high-k transition metal (TM) and trivalent lanthanide series rare earth (RE) oxide dielectrics. Empty TM/RE d-states are studied by intra-atomic transitions originating in core level spin-orbit split p-states, and conduction band states are studied in inter-atomic transitions which originate in the oxygen atom 1s core level state. In non-crystalline Zr and Hf silicate alloys, the local bonding symmetry, or crystal field splits these d-states into doubly and triply degenerate features. In nano-crystalline oxides, there are additional d-state splittings due to contributions of more distant neighbors that completely remove d-state degeneracies via the Jahn-Teller effect mechanism. This gives rise to highly localized band edge states that are electronically active in photoconductivity, internal photoemission, and act as bulk traps in metal oxide semiconductor (MOS) devices
Jahn-Teller distortions, cation ordering and octahedral tilting in perovskites
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.)
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.
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.
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...
Garcia-Munoz, J.L.; Suaaidi, M.; Fontcuberta, J.; Rodriguez-Carvajal, J.
1997-01-01
The insulator-to-metal transition in the manganite La 0.52 Y 0.15 Ca 0.33 MnO 3 (T IM ∼115 K) has been studied by high-resolution neutron powder diffraction. The cell volume contraction at the Curie point is accompanied by a remarkable decrease of the Jahn-Teller distortion in MnO 6 octahedra. The change of the Mn-O bond lengths at T IM is anisotropic and brings about a drop out of the basal-plane collective distortion mode Q 2 , proposed to be the deformation responsible for the band split of e g↑ orbitals. This is consistent with the double-exchange picture, and precludes simple ferromagnetic exchange. copyright 1997 The American Physical Society
Barakat, Khaldoon A; Cundari, Thomas R; Omary, Mohammad A
2003-11-26
DFT calculations were used to optimize the phosphorescent excited state of three-coordinate [Au(PR3)3]+ complexes. The results indicate that the complexes rearrange from their singlet ground-state trigonal planar geometry to a T-shape in the lowest triplet luminescent excited state. The optimized structure of the exciton contradicts the structure predicted based on the AuP bonding properties of the ground-state HOMO and LUMO. The rearrangement to T-shape is a Jahn-Teller distortion because an electron is taken from the degenerate e' (5dxy, 5dx2-y2) orbital upon photoexcitation of the ground-state D3h complex. The calculated UV absorption and visible emission energies are consistent with the experimental data and explain the large Stokes' shifts while such correlations are not possible in optimized models that constrained the exciton to the ground-state trigonal geometry.
A study of cooperative Jahn-Teller phase transitions in rare-earth vanadates by linear birefringence
Gehring, G.A.; Harley, R.T.; Macfarlane, R.M.
1980-01-01
Changes in linear birefringence (Δn) associated with the cooperative Jahn-Teller phase transition of DyV04 near 14K as as a function of temperature and magnetic fields, B, between 0.024 and 0.095T have been measured. Theoretical arguments show that Δn is directly proportional to the order parameter of the transition and that B(2) is equivalent to the conjugate ordering field. By extrapolation to zero field the temperature dependence of the order parameter and the susceptibility were obtained. The data are compared with calculations based on a mean-field 'compressible' Ising model. For a reasonable choice of adjustable parameters this classical description gives a good fit to the data close to Tsub(D) consistent with general theoretical arguments and more detailed calculations, but it deviates progressively away from Tsub(D) presumably because of the known importance of short-range interactions in the system. (author)
Aguado, F [DCITIMAC, Facultad de Ciencias, Universidad de Cantabria, Santander 39005 (Spain); RodrIguez, F [DCITIMAC, Facultad de Ciencias, Universidad de Cantabria, Santander 39005 (Spain); Valiente, R [Departamento de Fisica Aplicada, Universidad de Cantabria, Santander 39005 (Spain); Hanfland, M [ESRF, BP220, 156 rue des Martires, 38043 Grenoble Cedex (France); Itie, J P [Universite Pierre et Marie Curie, B77 4 Place Jussieu 75252 Paris Cedex 05 (France)
2007-08-29
This work investigates the effect of pressure on the Jahn-Teller distortion (JTD) associated with the axially elongated CuCl{sub 6} octahedra in the A{sub 2}CuCl{sub 4} perovskite layer (A: Rb, CH{sub 3}NH{sub 3}, C{sub 2}H{sub 5}NH{sub 3}, C{sub 3}H{sub 7}NH{sub 3}). The aim is to elucidate whether pressure favours disappearance of the JTD in the antiferrodistortive (AFD) structure exhibited by Cu{sup 2+} within the layers or whether it induces tilts of the CuCl{sub 6} octahedra preserving the molecular distortion associated with the JT effect. We have carried out x-ray absorption (XAS) and x-ray diffraction (XRD) experiments under pressure along the compound series, whose interlayer distances at ambient pressure vary from 7.77 to 12.33 A. The use of both XAS and XRD techniques allows us a complete local- and crystal-structure characterization in Rb{sub 2}CuCl{sub 4} as a function of pressure in the 0-16 GPa range. We show that pressure reduces the axial (long) and equatorial (short) Cu-Cl distances, R{sub ax} and R{sub eq}, as well as the intralayer and interlayer Cu-Cu distances, d{sub Cu-Cu} and d{sub inter}. Interestingly, the variation of R{sub ax} is an order of magnitude bigger than that of the corresponding R{sub eq}, yielding a reduction of the JTD. However, no evidence of JTD suppression has been observed below 16 GPa. Pressure-induced CuCl{sub 6} tilting preserves the JTD in a wide pressure range. Estimates based on structural data suggest that JT suppression would occur at about 40 GPa.
Aguado, F; RodrIguez, F; Valiente, R; Hanfland, M; Itie, J P
2007-01-01
This work investigates the effect of pressure on the Jahn-Teller distortion (JTD) associated with the axially elongated CuCl 6 octahedra in the A 2 CuCl 4 perovskite layer (A: Rb, CH 3 NH 3 , C 2 H 5 NH 3 , C 3 H 7 NH 3 ). The aim is to elucidate whether pressure favours disappearance of the JTD in the antiferrodistortive (AFD) structure exhibited by Cu 2+ within the layers or whether it induces tilts of the CuCl 6 octahedra preserving the molecular distortion associated with the JT effect. We have carried out x-ray absorption (XAS) and x-ray diffraction (XRD) experiments under pressure along the compound series, whose interlayer distances at ambient pressure vary from 7.77 to 12.33 A. The use of both XAS and XRD techniques allows us a complete local- and crystal-structure characterization in Rb 2 CuCl 4 as a function of pressure in the 0-16 GPa range. We show that pressure reduces the axial (long) and equatorial (short) Cu-Cl distances, R ax and R eq , as well as the intralayer and interlayer Cu-Cu distances, d Cu-Cu and d inter . Interestingly, the variation of R ax is an order of magnitude bigger than that of the corresponding R eq , yielding a reduction of the JTD. However, no evidence of JTD suppression has been observed below 16 GPa. Pressure-induced CuCl 6 tilting preserves the JTD in a wide pressure range. Estimates based on structural data suggest that JT suppression would occur at about 40 GPa
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.
Ali Reza Ilkhani
Full Text Available 1,2,3-Trioxolene (C2O3H2 is an intermediate in the acetylene ozonolysis reaction which is called primary ozonide intermediate. The symmetry breaking phenomenon were studied in C2O3H2 and six its derivatives then oxygen atoms of the molecule are substituted by sulphur, selenium, tellurium (C2Y3H2 and hydrogen ligands are replaced with fluorine atoms (C2Y3F2. Based on calculation results, all seven C2Y3Z2 considered in the series were puckered from unstable planar configuration with C2v symmetry to a Cs symmetry stable geometry. The vibronic coupling interaction between the 1A1 ground state and the first excited state 1B1 via the (1A1+1B1 ⊗b1 pseudo Jahn-Teller effect problem is the reason of the breaking symmetry phenomenon and un-planarity of the C2Y3 ring in the C2Y3Z2 series.
Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min
2013-10-07
Three new quaternary scandium vanadium selenium/tellurium oxides, α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8 have been synthesized through hydrothermal and standard solid-state reactions. Although all three reported materials are stoichiometrically similar, they exhibit different crystal structures: α-ScVSe2O8 has a three-dimensional framework structure consisting of ScO6, VO6, and SeO3 groups. β-ScVSe2O8 reveals another three-dimensional framework composed of ScO7, VO5, and SeO3 polyhedra. ScVTe2O8 shows a layered structure with ScO6, VO4, and TeO4 polyhedra. Interestingly, the constituent cations, that is, Sc(3+), V(5+), Se(4+), and Te(4+) are all in a distorted coordination environment attributable to second-order Jahn-Teller (SOJT) effects. Complete characterizations including infrared spectroscopy, elemental analyses, thermal analyses, dipole moment calculation, and the magnitudes of out-of-center distortions for the compounds are reported. Transformation reactions suggest that α-ScVSe2O8 may change to β-ScVSe2O8, and then to Sc2(SeO3)3·H2O under hydrothermal conditions.
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.
Chowdhury, Chandra; Jahiruddin, Sheik; Datta, Ayan
2016-04-07
Phosphorene (Pn) is stabilized as a layered material like graphite, yet it possess a natural direct band gap (Eg = 2.0 eV). Interestingly, unlike graphene, Pn exhibits a much richer phase diagram which includes distorted forms like the stapler-clip (black Pn, α form) and chairlike (blue Pn, β form) structures. The existence of these phases is attributed to pseudo-Jahn-Teller (PJT) instability of planar hexagonal P6(6-) rings. In both cases, the condition for vibronic instability of the planar P6(6-) rings is satisfied. Doping with electron donors like tetrathiafulvalene and tetraamino-tetrathiafulvalene and electron acceptors like tetracyanoquinodimethane and tetracyanoethylene convert blue Pn into N-type and black Pn into efficient P-type semiconductors, respectively. Interestingly, pristine blue Pn, an indirect gap semiconductor, gets converted into a direct gap semiconductor on electron or hole doping. Because of comparatively smaller undulation in blue Pn (with respect to black Pn), the van der Waals interactions between the dopants and blue Pn is stronger. PJT distortions for two-dimensional phosphorus provides a unified understanding of structural features and chemical reactivity in its different phases.
Byrne, Owen; McCaffrey, John G
2011-03-28
Absorption spectroscopy recorded for annealed samples of matrix-isolated atomic europium reveals a pair of thermally stable sites in Ar and Kr while a single site exists in Xe. Plots of the matrix shifts of the visible s → p bands versus host polarizability, allowed the association of the single site in Xe and the blue sites in Ar and Kr. On the basis of the similar ground state bond lengths expected for the Eu-rare gas (RG) diatomics and the known Na-RG molecules, the blue sites are attributed to Eu occupancy in the smaller tetra-vacancy while the red sites are proposed to arise from hexa-vacancy sites. Both sites are of cubic symmetry, consistent with the pronounced Jahn-Teller structure present on the y(8)P ← a(8)S(7/2) transition for these bands in the three hosts studied. Site-selective excitation spectroscopy has been used to reanalyze complex absorption spectra previously published by Jakob et al. [Phys. Lett. A 57, 67 (1976)] for the near-UV f → d transitions. On the basis that a pair of thermally stable sites exist in solid argon, the occurrence of crystal field splitting has been identified to occur for the J ≥ 5/2 level of the (8)P state when isolated in these two sites with cubic symmetry. From a detailed lineshape analysis, the magnitude of the crystal field splittings on the J = 5/2 level in Ar is found to be 105 and 123 cm(-1) for the red and blue sites, respectively.
Jahn-Teller effect in van der Waals complexes; Ar-C6H6 + and Ar-C6D6 +.
Avoird, A. van der; Lotrich, VF
2004-01-01
The two asymptotically degenerate potential energy surfaces of argon interacting with the X (2)E(1g) ground state benzene(+) cation were calculated ab initio from the interaction energy of the neutral Ar-benzene complex given by Koch et al. [J. Chem. Phys. 111, 198 (1999)] and the difference of the
García-Revilla, S.; Rodríguez, F.; Valiente, R.; Pollnau, Markus
2002-01-01
This work investigates the effect of hydrostatic pressure on the excitation and emission spectra, as well as on the lifetime, of Al2O3:Ti3+ at room temperature. The aim is to establish correlations between the pressure-induced band shifts and the corresponding local structural changes undergone by
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.
Sarwar, T.; Qamar, A.; Nadeem, M.
2017-07-01
Dynamics of spin ordering in the manganite Nd0.5Ca0.5MnO3 have been investigated in this paper. It was observed that the complex mixed magnetic ordering in pellets is comprised of antiferromagnetic ordering at 160 K (TN) and complete charge ordering at 250 K (TCO). Under ac field, appearance of unstable ferromagnetic correlations is observed above TCO, which is badly frustrated due to strong spin disorder induced by Jahn Teller distortions. Impedance measurements reveal the spin glass like scenario, suppressing the strong antiferromagnetic and charge ordering states below TN.
Quantum-classical dynamics of scattering processes in adiabatic and diabatic representations
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
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
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
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
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.
Jiang Liang; Su Jinrui; Kong Hui; Liu Yi; Zheng Shiyuan; Zhu Changfei [Laboratory of Advanced Functional Materials and Devices, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China)
2006-09-20
The resistivity, magnetization and ultrasonic properties of charge-ordered polycrystalline (Nd{sub 0.75}Na{sub 0.25}){sub x}(Nd{sub 0.5}Ca{sub 0.5}){sub 1-x}MnO{sub 3} have been investigated from 50 to 300 K. A considerable velocity softening accompanied by an attenuation peak was observed around the charge-ordering transition temperature (T{sub CO}) upon cooling. The simultaneous occurrence of the charge ordering (CO) and the ultrasonic anomaly implies strong electron-phonon coupling, which originates from the cooperative Jahn-Teller effect. At very low temperature, another broad attenuation peak was observed, which is attributed to the phase separation (PS) and gives a direct evidence of spin-phonon coupling in the compound. With increasing x, T{sub CO} shifts to lower temperature, the magnetization of the system is strengthened and the PS is enhanced. The temperature dependence of the longitudinal modulus shows that the Jahn-Teller coupling energy E{sub JT} decreases with increasing Na content. The analysis suggests that the charge mismatch effect may be the main reason for the suppression of the CO and enhancement of the PS.
Jahn-teller domains and magnetic domains in Mn2FeO4
Kub, J.; Brabers, V.A.M.; Novák, P.; Gemperle, R.; Simsova, J.
2000-01-01
Elastic (Jahn–Teller) domains and magnetic domains in the tetragonal spinel Mn2FeO4 were studied using X-ray double-crystal topography, X-ray diffractometry and the colloid-SEM method. The Jahn–Teller domains of the measured samples are tetragonal with the [0 0 1] c-axis alternating perpendicularly
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.
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.
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)
Quantum fluctuations of D5d polarons on C60 molecules
Wang Chui-Lin; Wang Wenzheng; Liu Yuliang; Su Zhaobin; Yu Lu.
1994-06-01
The dynamic Jahn-Teller splitting of the six equivalent D 5d polarons due to quantum fluctuations is studied in the framework of the Bogoliubov-de Gennes formalism. The tunneling induced level splittings are determined to be 2 T 1u + 2 T 2u and 1 A g + 1 H g for C 1- 60 and C -2 60 , respectively, which should give rise to observable effects in experiments. (author). 17 refs, 2 tabs
Fine structure of V2+ energy levels in CsCaF3:V2+
Avram, C.N.; Brik, M.G.
2004-01-01
Theoretical investigations of the fine structure of the lasing 4 T 2g level in a CsCaF 3 :V 2+ crystal were carried out. The spin-orbit splitting of the 4 T 2g term in the static low crystal field was obtained from the Eisenstein matrices and using parameters (Dq, B, C, ζ SO ) appropriate for the 4 T 2g - 4 A 2g zero-phonon line. The 4 T 2g spinor splitting has been modeled by the second-order spin-orbit Hamiltonian. The effect of the dynamical Jahn-Teller interaction on the spin-orbit splitting of the 4 T 2g term was taken into account; the Jahn-Teller stabilization energy, ZPL splitting and the Huang-Rhys parameter for the e g normal mode were all evaluated
Theoretical evaluation of matrix effects on trapped atomic levels
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.
Sarwar, T., E-mail: sarwartuba@gmail.com [EMMG, Physics Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan); Qamar, A., E-mail: afzaal.qamar@griffithuni.edu.au [Queensland Micro-Nanotechnology Centre, Griffith University, Nathan, QLD 4111 (Australia); Nadeem, M. [EMMG, Physics Division, PINSTECH, P.O. Nilore, Islamabad (Pakistan)
2017-07-15
Highlights: • Electronic & magnetic behavior of Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3} is explored using impedance spectroscopy. • Under ac field, possible signature of suppression of robust CO/OO antiferromagnetism is studied. • We propose the existence of spin glass state at low temperature. • A novel tactic is used to estimate the existence of weak ferromagnetism at high temperature. - Abstract: Dynamics of spin ordering in the manganite Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3} have been investigated in this paper. It was observed that the complex mixed magnetic ordering in pellets is comprised of antiferromagnetic ordering at 160 K (T{sub N}) and complete charge ordering at 250 K (T{sub CO}). Under ac field, appearance of unstable ferromagnetic correlations is observed above T{sub CO}, which is badly frustrated due to strong spin disorder induced by Jahn Teller distortions. Impedance measurements reveal the spin glass like scenario, suppressing the strong antiferromagnetic and charge ordering states below T{sub N}.
Aramburu, J. A.; Garcia-Fernandez, P.; García Lastra, Juan Maria
2017-01-01
transitions for CuF64- units formed in Cu2+-doped the tetragonal Ba2ZnF6 host lattice. While the experimental d-d transitions cannot be reproduced through the isolated CuF64- unit at the equilibrium geometry, a reasonable agreement is reached adding in the calculation the internal electric field, ER...... 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...
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
Moin, Syed Tarique; Hofer, Thomas S; Weiss, Alexander K H; Rode, Bernd M
2013-07-07
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.
Dynamically fluctuating electric dipole moments in fullerene-based magnets.
Kambe, Takashi; Oshima, Kokichi
2014-09-19
We report here the direct evidence of the existence of a permanent electric dipole moment in both crystal phases of a fullerene-based magnet--the ferromagnetic α-phase and the antiferromagnetic α'-phase of tetra-kis-(dimethylamino)-ethylene-C60 (TDAE-C60)--as determined by dielectric measurements. We propose that the permanent electric dipole originates from the pairing of a TDAE molecule with surrounding C60 molecules. The two polymorphs exhibit clear differences in their dielectric responses at room temperature and during the freezing process with dynamically fluctuating electric dipole moments, although no difference in their room-temperature structures has been previously observed. This result implies that two polymorphs have different local environment around the molecules. In particular, the ferromagnetism of the α-phase is founded on the homogeneous molecule displacement and orientational ordering. The formation of the different phases with respect to the different rotational states in the Jahn-Teller distorted C60s is also discussed.
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)
Low temperature ultrasonic investigation of ZnSe crystals doped with Ni
Gudkov, Vladimir [Institute for Metal Physics, Ural Department of the Russian Academy of Sciences, 18, Kovalevskaya st., 620219 Ekaterinburg (Russian Federation); Russian State Vocational Pedagogical University, 11, Mashinostroitelei st., 620012 Ekaterinburg (Russian Federation); Lonchakov, Alexander; Sokolov, Victor; Zhevstovskikh, Irina; Gruzdev, Nikita [Institute for Metal Physics, Ural Department of the Russian Academy of Sciences, 18, Kovalevskaya st., 620219 Ekaterinburg (Russian Federation)
2005-03-01
The peak of ultrasonic absorption observed at {approx}13 K in ZnSe:Ni crystals with dopant concentration of 5.5 x 10{sup 19} cm{sup -3} was interpreted as due to the Jahn-Teller effect. The dynamic contribution to the effective elastic modulus was accounted for and the temperature dependences of relaxation time, relaxed and unrelaxed modulus C{sub 44} were obtained. The procedure of accounting for the dynamic contribution resulted in a more accurate determination of the temperature of phase transition. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Structural and thermal properties of LaMnO3 from neutron diffraction and first principles studies
Wdowik, Urszula D; Ouladdiaf, Bachir; Chatterji, Tapan
2011-01-01
Neutron diffraction experiments have been performed on powder samples of LaMnO 3 below and above the Jahn-Teller transition temperature of 750 K. Experimental investigations are assisted by density functional theory calculations. Theoretical studies are carried out for the orbitally ordered state of LaMnO 3 which allows one to compare the behavior of the orbitally ordered and disordered structures as a function of temperature. The temperature dependences of the structural parameters characterizing the Jahn-Teller distortions are reported and discussed. A gradual departure of the experimental data from theoretical predictions is observed above 650 K. In this range of temperatures, anions surrounding the Jahn-Teller active cations perform more isotropic thermal motion. The onset of structural phase transition induces a reduction of the crystal volume by about 0.4% which follows from the structural transformations yielding more regular oxygen octahedra formed above the phase transformation. It is found that above the Jahn-Teller transition the distortions of the MnO 6 octahedra are not completely removed. The non-vanishing distortions are accompanied by the lifted degeneracy of the Mn e g states. Weak residual distortions can be assigned to the short-range orbital order that persists within a local scale but it seems quenched on average giving rise to a disappearance of the long-range order coherency of the Jahn-Teller effect.
The strength of electron electron correlation in Cs3C60
Baldassarre, L.; Perucchi, A.; Mitrano, M.; Nicoletti, D.; Marini, C.; Pontiroli, D.; Mazzani, M.; Aramini, M.; Riccó, M.; Giovannetti, G.; Capone, M.; Lupi, S.
2015-10-01
Cs3C60 is an antiferromagnetic insulator that under pressure (P) becomes metallic and superconducting below Tc = 38 K. The superconducting dome present in the T - P phase diagram close to a magnetic state reminds what found in superconducting cuprates and pnictides, strongly suggesting that superconductivity is not of the conventional Bardeen-Cooper-Schrieffer (BCS) type We investigate the insulator to metal transition induced by pressure in Cs3C60 by means of infrared spectroscopy supplemented by Dynamical Mean-Field Theory calculations. The insulating compound is driven towards a metallic-like behaviour, while strong correlations survive in the investigated pressure range. The metallization process is accompanied by an enhancement of the Jahn-Teller effect. This shows that electronic correlations are crucial in determining the insulating behaviour at ambient pressure and the bad metallic nature for increasing pressure. On the other hand, the relevance of the Jahn-Teller coupling in the metallic state confirms that phonon coupling survives in the presence of strong correlations.
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.
Effects of rare-earth size on the electronic structure of La1−xLuxVO3.
Chen, B; Laverock, J; Newby, D; McNulty, J F; Smith, K E; Glans, P-A; Guo, J-H; Qiao, R-M; Yang, W-L; Lees, M R; Tung, L D; Singh, R P; Balakrishnan, G
2015-03-18
The electronic structure of La(1-x)Lu(x)VO(3)(x = 0, 0.2, 0.6 and 1) single crystals has been investigated using soft x-ray absorption spectroscopy, soft x-ray emission spectroscopy, and resonant soft x-ray inelastic scattering to study the effects of rare-earth size. The x-ray absorption and emission spectra at the O K-edge present a progressive evolution with R-site cation, in agreement with local spin density approximation calculations. This evolution with R, together with the temperature dependence of the O K-edge spectra, is attributed to changes in the crystal structure of La(1-x)Lu(x)VO(3). The crystal-field dd. excitations probed by resonant inelastic x-ray scattering at the V L(3)-edge exhibit an increase in energy and enhanced intensity with the decrease of R-site ionic radius, which is mainly attributed to the increased tilting magnitude of the VO(6) octahedra. Upon cooling to ~95 K, the dd* excitations are prominently enhanced in relative Intensity, in agreement with the formation of the Jahn.Teller distortion int he orbital ordering phase. Additionally, the dd* transitions of the mixed compounds are noticeably suppressed with respect to those of the pure compounds, possibly owing to the formation of C-type orbital ordering induced by large R-site size variances.
Booth, C.H.; Bridges, F.; Kwei, G.H.; Lawrence, J.M.; Cornelius, A.L.; Neumeier, J.J.
1998-01-01
X-ray-absorption fine-structure measurements from the Mn and La K edges of samples of La 1-x Ca x MnO 3 (x=0→1) are presented as a function of temperature. In the insulating state, distortions of the Mn-O environment are found to be linear with calcium concentration x. These distortions are consistent with a model where individual Mn 3+ sites have strong Jahn-Teller (JT) distortions while Mn 4+ sites do not, although intermediate distortions are also possible. Comparisons to simulations of various possible bond length distributions show that these distortions are best modeled as a JT distortion, as opposed to charge disproportionation or other models. In the metallic state, at least ∼70% of the distortion is removed. A similar effect is seen in the Mn-Mn bond length distribution. The La-O bond length distribution does not change significantly through the ferromagnetic transition, constraining possible changes in the Mn-O-Mn bond angle to less than 0.5 degree. The changes in the MnO 6 distortion that occur near T c are also present (to a lesser degree) in an insulating sample with x=0.12. The functional relation between the MnO 6 distortions and the magnetization is determined, and compared to transport measurements. copyright 1998 The American Physical Society
Frequency effects on charge ordering in Y0.5Ca0.5MnO3 by impedance spectroscopy
Sarwar, Tuba; Qamar, Afzaal; Nadeem, Muhammad
2015-02-01
In this work, structural and electrical properties of Y0.5Ca0.5MnO3 are investigated by employing X-ray diffraction and impedance spectroscopy, respectively. Applied ac electric field showed the charge ordering transition temperature around 265 K and below this temperature the heteromorphic behavior of the sample is discussed in the proximity of TCO. With frequency effects the volume of robust charge orbital ordering (COO) domains diminishes due to different competing phases along with Jahn Teller distortions. Comprehensive melting and collapse of charge orbital ordering occurs below TN(125 K), where a colossal drop in the value of impedance is observed. The change in profile of modulus plane plots determines the spreading of relaxation time of intermingled phases. Hopping mechanism is elaborated in terms of strong electron phonon coupling. Variable range hopping model and Arrhenius model are used to discuss the short and long range hopping between Mn3+ and Mn4+ channels assessing the activation energy Ea.
Lattice modes and the Jahn-Teller ferroelectric transition of GaV.sub.4./sub.S.sub.8./sub.
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
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
Crystallographic and magnetic properties of Ba/sub 2/(UCu)O/sub 6/
Padel, L; Poix, P [Paris-11 Univ., 91 - Orsay (France)
1975-07-07
Ba/sub 2/(UCu)O/sub 6/ structure can be described by a tetragonal unit cell whose parameters are a=5.777A and c=8.838A. Tetragonal distorsion is attributed to the Jahn-Teller effect of Cu/sup 2 +/; Copper octahedral sites are irregular. The compound presents antiferromagnetic properties with a Neel's temperature of 13K.
Soft modes and structural phase transitions
Venkataraman, G [Reactor Research Centre, Kalpakkam (India)
1979-12-01
A survey of soft modes and their relationship to structural phase transitions is presented. After introducing the concept of a soft mode, the origin of softening is considered from a lattice-dynamical point. The Landau theory approach to structural transitions is then discussed, followed by a generalisation of the soft-mode concept through the use of the dynamic order-parameter susceptibility. The relationship of soft modes to broken symmetry is also examined. Experimental results for several classes of crystals are next presented, bringing out various features such as the co-operative Jahn-Teller effect. The survey concludes with a discussion of the central peak, touching upon both the experimental results and the theoretical speculations.
Khalsa, Guru; Benedek, Nicole A.
2018-03-01
Epitaxial strain and chemical substitution have been the workhorses of functional materials design. These static techniques have shown immense success in controlling properties in complex oxides through the tuning of subtle structural distortions. Recently, an approach based on the excitation of an infrared active phonon with intense midinfrared light has created an opportunity for dynamical control of structure through special nonlinear coupling to Raman phonons. We use first-principles techniques to show that this approach can dynamically induce a magnetic phase transition from the ferromagnetic ground state to a hidden antiferromagnetic phase in the rare earth titanate GdTiO3 for realistic experimental parameters. We show that a combination of a Jahn-Teller distortion, Gd displacement, and infrared phonon motion dominate this phase transition with little effect from the octahedral rotations, contrary to conventional wisdom.
ESR of Ag2+ ions in S2F2 crystal
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
A crossover in anisotropic nanomechanochemistry of van der Waals crystals
Shimamura, Kohei; Misawa, Masaaki; Li, Ying; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya; Shimojo, Fuyuki
2015-01-01
In nanoscale mechanochemistry, mechanical forces selectively break covalent bonds to essentially control chemical reactions. An archetype is anisotropic detonation of layered energetic molecular crystals bonded by van der Waals (vdW) interactions. Here, quantum molecular dynamics simulations reveal a crossover of anisotropic nanomechanochemistry of vdW crystal. Within 10 −13 s from the passage of shock front, lateral collision produces NO 2 via twisting and bending of nitro-groups and the resulting inverse Jahn-Teller effect, which is mediated by strong intra-layer hydrogen bonds. Subsequently, as we transition from heterogeneous to homogeneous mechanochemical regimes around 10 −12 s, shock normal to multilayers becomes more reactive, producing H 2 O assisted by inter-layer N-N bond formation. These time-resolved results provide much needed atomistic understanding of nanomechanochemistry that underlies a wider range of technologies
A crossover in anisotropic nanomechanochemistry of van der Waals crystals
Shimamura, Kohei [Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan); Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Graduate School of System Informatics, Kobe University, Kobe 657-8501 (Japan); Misawa, Masaaki [Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan); Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Li, Ying [Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya [Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-0242 (United States); Shimojo, Fuyuki [Department of Physics, Kumamoto University, Kumamoto 860-8555 (Japan)
2015-12-07
In nanoscale mechanochemistry, mechanical forces selectively break covalent bonds to essentially control chemical reactions. An archetype is anisotropic detonation of layered energetic molecular crystals bonded by van der Waals (vdW) interactions. Here, quantum molecular dynamics simulations reveal a crossover of anisotropic nanomechanochemistry of vdW crystal. Within 10{sup −13} s from the passage of shock front, lateral collision produces NO{sub 2} via twisting and bending of nitro-groups and the resulting inverse Jahn-Teller effect, which is mediated by strong intra-layer hydrogen bonds. Subsequently, as we transition from heterogeneous to homogeneous mechanochemical regimes around 10{sup −12} s, shock normal to multilayers becomes more reactive, producing H{sub 2}O assisted by inter-layer N-N bond formation. These time-resolved results provide much needed atomistic understanding of nanomechanochemistry that underlies a wider range of technologies.
Dynamical Franz-Keldysh Effect
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 fin...... structure, both below and above the zero-field band gap, which should be experimentally observable.......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...
Yun, Jiangni, E-mail: niniyun@nwu.edu.cn; Zhang, Yanni; Xu, Manzhang; Wang, Keyun; Zhang, Zhiyong
2016-10-01
The effect of single vacancy on the structural, electronic and magnetic properties of monolayer graphyne is investigated by the first-principles calculations. The calculated results reveal that single vacancy can result in the spin polarization in monolayer graphyne and the spin polarization is sensitive to local geometric structure of the vacancy. In the case of monolayer graphyne with one single vacancy at the sp{sup 2} hybridized C site, the vacancy introduces rather weakly spin-polarized, flat bands in the band gap. Due to the localization nature of the defect-induced bands, the magnetic moment is mainly localized at the vacancy site. As for the monolayer graphyne with one single vacancy at the sp hybridized C site, one defect-induced state which is highly split appears in the band gap. The spin-up band of the defect-induced state is highly dispersive and shows considerable delocalization, suggesting that the magnetic moment is dispersed around the vacancy site. The above magnetization in monolayer graphyne with one single vacancy is possibly explained in terms of the valence-bond theory. - Graphical abstract: Calculated band structure of the monolayer graphyne without (a) and with one single vacancy at Vb site (b) and at Vr site(c), respectively. Blue and red lines represent the spin-up and spin-down bands, respectively. For the sake of clarity, the band structure near the Fermi energy is also presented on the right panel. The Fermi level is set to zero on the energy scale. - Highlights: • A Jahn-Teller distortion occurs in monolayer graphyne with single vacancy. • The spin polarization is sensitive to local geometric structure of the vacancy. • Vacancy lying at sp{sup 2} hybridized C site introduces weakly spin-polarized defect bands. • A strong spin splitting occurs when the vacancy lies at sp hybridized C site. • The magnetization is explained in terms of the valence-bond theory.
Dynamical effects in electron spectroscopy
Zhou, Jianqiang Sky, E-mail: jianqiang.zhou@polytechnique.edu; Reshetnyak, Igor; Giorgetti, Christine; Sottile, Francesco; Reining, Lucia [Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM-IRAMIS, Université Paris-Saclay, F-91128 Palaiseau (France); Kas, J. J.; Rehr, J. J. [Department of Physics, University of Washington, Seattle, Washington 98195-1560 (United States); Sponza, Lorenzo [Department of Physics, King’s College London, London WC2R 2LS (United Kingdom); Guzzo, Matteo [Institut für Physik und IRIS Adlershof, Humboldt-Universität zu Berlin, D-12489 Berlin (Germany); Gatti, Matteo [Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM-IRAMIS, Université Paris-Saclay, F-91128 Palaiseau (France); Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, F-91192 Gif-sur-Yvette (France)
2015-11-14
One of the big challenges of theoretical condensed-matter physics is the description, understanding, and prediction of the effects of the Coulomb interaction on materials properties. In electronic spectra, the Coulomb interaction causes a renormalization of energies and change of spectral weight. Most importantly, it can lead to new structures, often called satellites. These can be linked to the coupling of excitations, also termed dynamical effects. State-of-the-art methods in the framework of many-body perturbation theory, in particular, the widely used GW approximation, often fail to describe satellite spectra. Instead, approaches based on a picture of electron-boson coupling such as the cumulant expansion are promising for the description of plasmon satellites. In this work, we give a unified derivation of the GW approximation and the cumulant expansion for the one-body Green’s function. Using the example of bulk sodium, we compare the resulting spectral functions both in the valence and in the core region, and we discuss the dispersion of quasi-particles and satellites. We show that self-consistency is crucial to obtain meaningful results, in particular, at large binding energies. Very good agreement with experiment is obtained when the intrinsic spectral function is corrected for extrinsic and interference effects. Finally, we sketch how one can approach the problem in the case of the two-body Green’s function, and we discuss the cancellation of various dynamical effects that occur in that case.
Dynamical effects in electron spectroscopy
Zhou, Jianqiang Sky; Reshetnyak, Igor; Giorgetti, Christine; Sottile, Francesco; Reining, Lucia; Kas, J. J.; Rehr, J. J.; Sponza, Lorenzo; Guzzo, Matteo; Gatti, Matteo
2015-01-01
One of the big challenges of theoretical condensed-matter physics is the description, understanding, and prediction of the effects of the Coulomb interaction on materials properties. In electronic spectra, the Coulomb interaction causes a renormalization of energies and change of spectral weight. Most importantly, it can lead to new structures, often called satellites. These can be linked to the coupling of excitations, also termed dynamical effects. State-of-the-art methods in the framework of many-body perturbation theory, in particular, the widely used GW approximation, often fail to describe satellite spectra. Instead, approaches based on a picture of electron-boson coupling such as the cumulant expansion are promising for the description of plasmon satellites. In this work, we give a unified derivation of the GW approximation and the cumulant expansion for the one-body Green’s function. Using the example of bulk sodium, we compare the resulting spectral functions both in the valence and in the core region, and we discuss the dispersion of quasi-particles and satellites. We show that self-consistency is crucial to obtain meaningful results, in particular, at large binding energies. Very good agreement with experiment is obtained when the intrinsic spectral function is corrected for extrinsic and interference effects. Finally, we sketch how one can approach the problem in the case of the two-body Green’s function, and we discuss the cancellation of various dynamical effects that occur in that case
Frequency effects on charge ordering in Y{sub 0.5}Ca{sub 0.5}MnO{sub 3} by impedance spectroscopy
Sarwar, Tuba, E-mail: sarwartuba@gmail.com [EMMG, Physics Division, PINSTECH, P. O. Nilore, Islamabad (Pakistan); DPAM, PIEAS, P. O. Nilore, Islamabad (Pakistan); Qamar, Afzaal [Queensland Micro-Nanotechnology Centre, Griffith University, Nathan, QLD 4111 (Australia); Nadeem, Muhammad [EMMG, Physics Division, PINSTECH, P. O. Nilore, Islamabad (Pakistan)
2015-02-01
In this work, structural and electrical properties of Y{sub 0.5}Ca{sub 0.5}MnO{sub 3} are investigated by employing X-ray diffraction and impedance spectroscopy, respectively. Applied ac electric field showed the charge ordering transition temperature around 265 K and below this temperature the heteromorphic behavior of the sample is discussed in the proximity of T{sub CO}. With frequency effects the volume of robust charge orbital ordering (COO) domains diminishes due to different competing phases along with Jahn Teller distortions. Comprehensive melting and collapse of charge orbital ordering occurs below T{sub N}(125 K), where a colossal drop in the value of impedance is observed. The change in profile of modulus plane plots determines the spreading of relaxation time of intermingled phases. Hopping mechanism is elaborated in terms of strong electron phonon coupling. Variable range hopping model and Arrhenius model are used to discuss the short and long range hopping between Mn{sup 3+} and Mn{sup 4+} channels assessing the activation energy E{sub a}. - Highlights: • Present study contains a detailed investigation over the electrical and structural properties of Y{sub 0.5}Ca{sub 0.5}MnO{sub 3} especially its behavior across the charge ordering transition. • Impedance measurements illustrate the comprehensive melting and collapse of robust charge orbital ordering with colossal drop in impedance. • In T{sub N}
Effect of large compressive strain on low field electrical transport in La0.88Sr0.12MnO3 thin films
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
Dynamic effects in fragmentation reactions
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
Effects of dynamical quarks in UKQCD simulations
Allton, Chris
2002-01-01
Recent results from the UKQCD Collaboration's dynamical simulations are presented. The main feature of these ensembles is that they have a fixed lattice spacing and volume, but varying sea quark mass from infinite (corresponding to the quenched simulation) down to roughly that of the strange quark mass. The main aim of this work is to uncover dynamical quark effects from these 'matched' ensembles. We obtain some evidence of dynamical quark effects in the static quark potential with less effects in the hadronic spectrum
Allee effects on population dynamics with delay
Celik, C.; Merdan, H.; Duman, O.; Akin, O.
2008-01-01
In this paper, we study the stability analysis of equilibrium points of population dynamics with delay when the Allee effect occurs at low population density. Mainly, our mathematical results and numerical simulations point to the stabilizing effect of the Allee effects on population dynamics with delay
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).
The Effect of Overskilling Dynamics on Wages
Mavromaras, Kostas; Mahuteau, Stephane; Sloane, Peter; Wei, Zhang
2013-01-01
We use a random-effects dynamic probit model to estimate the effect of overskilling dynamics on wages. We find that overskilling mismatch is common and more likely among those who have been overskilled in the past. It is also highly persistent, in a manner that is inversely related to educational level. Yet, the wages of university graduates are…
High resolution photoelectron spectroscopy of clusters of Group V elements
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
Angle-resolved photoelectron spectroscopy of cyclopropane
Keller, P. R.; Taylor, J. W.; Carlson, Thomas A.; Whitley, T. A.; Grimm, F. A.
1985-10-01
The angular distribution parameter, β, determined for the valence orbitals (IP < 18 eV) of cyclopropane in the 10-30 eV photon energy range using dispersed polarized synchrotron radiation. The energy dependence of β for photoelectron energies between, 2 and 10 eV above threshold was found to be similar to those found previously for other σ orbitals. The effects of Jahn-Teller splitting on β for the 3e' orbital were found to be small but definitely present. The overall shape and magnitude of the β( hv) curve are, however, sufficiently for the different Jahn-Teller components that, for purposes of orbital assignments using β( hv) curves the shape and magnitude of the curves can be considered associated only with the initial state. Resonance photoionization features at a photon ener of ≈ 18 eV were observed in the 3e' and 3a' 1 orbitals and tentatively assigned to autoionization.
Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2
1980-02-01
Rhombohedral 12 L-stacking polytypes with cationic vacancies of type Ba/sub 2/La/sub 2/Bsup(II)(W/sub 2/sup(VI)vacantO/sub 12/) are reported for Bsup(II) = Mg, Zn (white), Ni (light brown) and Co (brown). For Bsup(II) = Cu, as a consequence of the Jahn Teller effect, a triclinic distorted lattice is observed.
An unusually strong resonant phonon scattering by 3-d impurities in II-VI semiconductors
Lonchakov, A.T.; Sokolov, V.I.; Gruzdev, N.B. [Institute of Metal Physics, Russian Academy of Sciences, Ural Branch, S. Kovalevskaya Str. 18, 620219 Ekaterinburg (Russian Federation)
2004-11-01
Low temperature phonon heat conductivity was measured for ZnSe and ZnS crystals, doped with 3-d impurities. A strong resonance-like phonon scattering by 3-d ions with orbitally degenerate ground state was observed. The Jahn-Teller effect is proposed as the reason of the strong resonance-like behaviour of heat conductivity. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
2016-06-13
Electrochemical Performance of LixMn2-yFeyO4-zClz Synthesized Through In-Situ Glycine Nitrate Combustion Ashley L. Ruth, Paula C. Latorre, and...sites as well as the formation of Mn3+ ions via the Jahn- Teller effect. The use of the glycine nitrate combustion synthesis produces small particles at...advantage of submicron ceramic synthesis, namely the glycine nitrate combustion process (GNP), we propose the capability for in-situ B-site doping
Dynamics effects on a wooden footbridge
Vašková Veronika
2017-01-01
Full Text Available The timber is the current trend for the construction of many footbridges because of many reasons as price, aesthetics and ecology. Most of these structures are designed using simple static models and massive elements. However, there are implemented more complicated constructions including suspended footbridge in Příbor in Czech Republic. This construction with efficient use of material is more susceptible to dynamic effect. The article describes monitoring of dynamics effects at the construction with result of installation dynamics dampers.
Excitonic dynamical Franz-Keldysh effect
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....
Derzsi, Mariana; Hermann, Andreas; Hoffmann, Roald; Grochala, Wojciech
2013-01-01
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.
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.
Dynamic effects of diabatization in distillation columns
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...
Non equilibrium effects in nuclear dynamics
Papa, M.; Arena, N.; Cardella, G.; Lanzano, G.; Filippo, E. de; Lanzalone, G.; Pagano, A.; Pirrone, S.; Politi, G. [Catania Univ., INFN Catania and Dipartimento di Fisica e Astronomia (Italy); Amorini, F.; Anzalone, A.; Bonasera, A.; Cavallaro, S.; Di Pietro, A.; Figuera, P.; Giustolisi, F.; Iacono Manno, M.; La Guidara, E.; Maiolino, C.; Porto, F.; Rizzo, F.; Sperduto, M.L. [Catania Univ., INFN-LNS and Dipartimento di Fisica e Astronomia (Italy); Auditore, L.; Trifiro, A.; Trimarchi, M. [Messina Univ., INFN and Dipartimento di Fisica (Italy)
2003-07-01
A Constraint Molecular Dynamics (CoMD) approach is used to study dynamical effects related to both the average dynamics and the fluctuations around it. Data obtained in the REVERSE and in TRASMARAD experiments were compared with the theoretical simulations. The concept of temperature, as derived from a fully dynamical description of the GDR (giant dipole resonance) mode, is also discussed. In this contribution we have discussed the comparison between the CoMD model and two classes of phenomena, induced by heavy ion collisions. The first one is related to the IMF (intermediate mass fragment) production in semi-peripheral collisions for the {sup 124}Sn + {sup 64}Ni system at 35 MeV/nucleon. The comparison put in evidence clear preequilibrium effects in the fragment production mechanism which are essentially related to the behavior of the average dynamics. The second one concerns the high {gamma}-ray productions, due to dipolar resonant mechanisms, in the {sup 40}Ca + {sup 48}Ca system at 25 MeV/nucleon. In this case the comparisons with the model allows to put in evidence preequilibrium effects related both to the average dynamics and to the fluctuating one.
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.
Dynamic interaction effects in cooling tower groups
Riera, J.D.
1984-01-01
A theoretical and experimental determination of the dynamic response of reinforced concrete cooling towers, taking into consideration group effects, are described. The results for an individual tower are thoroughly examined. A complete analysis is then performed for the critical wind orientations, for each tower in a six towers group. It's shown that ignoring group effects in the analysis may lead to a significant underestimation of the structural response. (E.G.) [pt
Dynamical effects prior to heavy ion fusion
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
Some Dynamical Effects of the Cosmological Constant
Axenides, M.; Floratos, E. G.; Perivolaropoulos, L.
Newton's law gets modified in the presence of a cosmological constant by a small repulsive term (antigravity) that is proportional to the distance. Assuming a value of the cosmological constant consistent with the recent SnIa data (Λ~=10-52 m-2), we investigate the significance of this term on various astrophysical scales. We find that on galactic scales or smaller (less than a few tens of kpc), the dynamical effects of the vacuum energy are negligible by several orders of magnitude. On scales of 1 Mpc or larger however we find that the vacuum energy can significantly affect the dynamics. For example we show that the velocity data in the local group of galaxies correspond to galactic masses increased by 35% in the presence of vacuum energy. The effect is even more important on larger low density systems like clusters of galaxies or superclusters.
Effects of mobility on ordering dynamics
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)
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.
Framing Effects: Dynamics and Task Domains
Wang
1996-11-01
The author examines the mechanisms and dynamics of framing effects in risky choices across three distinct task domains (i.e., life-death, public property, and personal money). The choice outcomes of the problems presented in each of the three task domains had a binary structure of a sure thing vs a gamble of equal expected value; the outcomes differed in their framing conditions and the expected values, raging from 6000, 600, 60, to 6, numerically. It was hypothesized that subjects would become more risk seeking, if the sure outcome was below their aspiration level (the minimum requirement). As predicted, more subjects preferred the gamble when facing the life-death choice problems than facing the counterpart problems presented in the other two task domains. Subjects' risk preference varied categorically along the group size dimension in the life-death domain but changed more linearly over the expected value dimension in the monetary domain. Framing effects were observed in 7 of 13 pairs of problems, showing a positive frame-risk aversion and negative frame-risk seeking relationship. In addition, two types of framing effects were theoretically defined and empirically identified. A bidirectional framing effect involves a reversal in risk preference, and occurs when a decision maker's risk preference is ambiguous or weak. Four bidirectional effects were observed; in each case a majority of subjects preferred the sure outcome under a positive frame but the gamble under a negative frame. In contrast, a unidirectional framing effect refers to a preference shift due to the framing of choice outcomes: A majority of subjects preferred one choice outcome (either the sure thing or the gamble) under both framing conditions, with positive frame augmented the preference for the sure thing and negative frame augmented the preference for the gamble. These findings revealed some dynamic regularities of framing effects and posed implications for developing predictive and testable
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
Effects of Telecoupling on Global Vegetation Dynamics
Viña, A.; Liu, J.
2016-12-01
With the ever increasing trend in telecoupling processes, such as international trade, all countries around the world are becoming more interdependent. However, the effects of this growing interdependence on vegetation (e.g., shifts in the geographic extent and distribution) remain unknown even though vegetation dynamics are crucially important for food production, carbon sequestration, provision of other ecosystem services, and biodiversity conservation. In this study we evaluate the effects of international trade on the spatio-temporal trajectories of vegetation at national and global scales, using vegetation index imagery collected over more than three decades by the Advanced Very High Resolution Radiometer (AVHRR) satellite sensor series together with concurrent national and international data on international trade (and its associated movement of people, goods, services and information). The spatio-temporal trajectories of vegetation are obtained using the scale of fluctuation technique, which is based on the decomposition of the AVHRR image time series to obtain information on its spatial dependence structure over time. Similar to the correlation length, the scale of fluctuation corresponds to the range over which fluctuations in the vegetation index are spatially correlated. Results indicate that global vegetation has changed drastically over the last three decades. These changes are not uniform across space, with hotspots in active trading countries. This study not only has direct implications for understanding global vegetation dynamics, but also sheds important insights on the complexity of human-nature interactions across telecoupled systems.
Effect of pairing on nuclear dynamics
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
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
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
Noise-induced effects in population dynamics
Spagnolo, Bernardo; Cirone, Markus; La Barbera, Antonino; de Pasquale, Ferdinando
2002-03-01
We investigate the role of noise in the nonlinear relaxation of two ecosystems described by generalized Lotka-Volterra equations in the presence of multiplicative noise. Specifically we study two cases: (i) an ecosystem with two interacting species in the presence of periodic driving; (ii) an ecosystem with a great number of interacting species with random interaction matrix. We analyse the interplay between noise and periodic modulation for case (i) and the role of the noise in the transient dynamics of the ecosystem in the presence of an absorbing barrier in case (ii). We find that the presence of noise is responsible for the generation of temporal oscillations and for the appearance of spatial patterns in the first case. In the other case we obtain the asymptotic behaviour of the time average of the ith population and discuss the effect of the noise on the probability distributions of the population and of the local field.
Thermofield dynamics and Casimir effect for fermions
Queiroz, H.; Silva, J.C. da; Khanna, F.C.; Malbouisson, J.M.C.; Revzen, M.; Santana, A.E.
2005-01-01
A generalization of the Bogoliubov transformation is developed to describe a space compactified fermionic field. The method is the fermionic counterpart of the formalism introduced earlier for bosons [Phys. Rev. A 66 (2002) 052101], and is based on the thermofield dynamics approach. We analyze the energy-momentum tensor for the Casimir effect of a free massless fermion field in a d-dimensional box at finite temperature. As a particular case the Casimir energy and pressure for the field confined in a three-dimensional parallelepiped box are calculated. It is found that the attractive or repulsive nature of the Casimir pressure on opposite faces changes depending on the relative magnitude of the edges. We also determine the temperature at which the Casimir pressure in a cubic box changes sign and estimate its value when the edge of the cube is of the order of the confining lengths for baryons
The Relevance of the Dynamic Stall Effect for Transient
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...
Investigation of the charge-orbital ordering mechanism in single-layered Pr0.5Ca1.5MnO4
Rangkuti, C. N.; Majidi, M. A.
2018-04-01
Motivated by the experimental study of half-doped single-layered Pr0.5Ca1.5MnO4 showing charge, orbital, and spin orderings [1], we propose a model to theoretically study the system to explain such ordering phenomena. The ground state electron configuration reveals that the charges form a checkerboard pattern with alternating Mn3+/Mn4+ sites, while the orbitals are aligned in zigzag chains [1, 2]. We calculate the ground state energy of this system to find the most preferable configuration by comparing three types of configurations (charge-unordered, charge-ordered, and charge-orbital-ordered states). The calculations are based on a tight-binding model representing effective electron hoppings among Mn ions in MnO2-plane. We take into account the horizontally- and vertically-oriented orbital and spin degrees of freedom at Mn sites. We assume that the hopping integral values depend on the relative orientation between the corresponding orbitals of adjacent Mn ions. The interaction terms we incorporate into our effective Hamiltonian include inter-orbital, intra-orbital Hubbard repulsions, and Jahn-Teller distortion [2]. We absorb the exchange interaction between spins into local self-energy that we calculate within dynamical mean field algorithm [2]. Within our model we show a circumstance in which the charge-orbital ordered configuration has the lowest energy, consistent with the ground state ordering revealed by the experimental data.
High resolution photoemission study of Nd1-xSrxMnO3
Togashi, T.; Osawa, H.; Shin, S.; Tanaka, K.; Isozumi, Y.; Iwazumi, T.; Nozawa, S.
2004-01-01
Full text:Nd 1-x SrxMnO 3 shows the negative colossal magnetoresistance and various electronic phases. In order to reveal their states, we have performed a high- resolution Mn 2p-3d resonance photoemission (RPES) study of Nd 1-x SrxMnO 3 with an energy resolution of 100 meV at BL25SU in SPring-8. Figure 1 shows the Mn 2p-3d RPES spectra of Nd 1-x SrxMnO 3 . It is found that the spectral line shape in the ground-state phases (GS) at low temperatures is closely related to the shape of MnO 6 octahedra depending on x due to a static Jahn- Teller (JT) effect while the line shape in the paramagnetic insulator (PI) phase near room temperature is qualitatively similar to each other irrespective of x. These results strongly suggest that the dynamical and static JT effects are responsible for the 3d electronic states at high and low temperatures, respectively
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.
Ion C. Baianu
2009-04-01
Full Text Available A novel algebraic topology approach to supersymmetry (SUSY and symmetry breaking in quantum field and quantum gravity theories is presented with a view to developing a wide range of physical applications. These include: controlled nuclear fusion and other nuclear reaction studies in quantum chromodynamics, nonlinear physics at high energy densities, dynamic Jahn-Teller effects, superfluidity, high temperature superconductors, multiple scattering by molecular systems, molecular or atomic paracrystal structures, nanomaterials, ferromagnetism in glassy materials, spin glasses, quantum phase transitions and supergravity. This approach requires a unified conceptual framework that utilizes extended symmetries and quantum groupoid, algebroid and functorial representations of non-Abelian higher dimensional structures pertinent to quantized spacetime topology and state space geometry of quantum operator algebras. Fourier transforms, generalized Fourier-Stieltjes transforms, and duality relations link, respectively, the quantum groups and quantum groupoids with their dual algebraic structures; quantum double constructions are also discussed in this context in relation to quasi-triangular, quasi-Hopf algebras, bialgebroids, Grassmann-Hopf algebras and higher dimensional algebra. On the one hand, this quantum algebraic approach is known to provide solutions to the quantum Yang-Baxter equation. On the other hand, our novel approach to extended quantum symmetries and their associated representations is shown to be relevant to locally covariant general relativity theories that are consistent with either nonlocal quantum field theories or local bosonic (spin models with the extended quantum symmetry of entangled, 'string-net condensed' (ground states.
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)
Mo, Yuxiang; Gao, Shuming; Dai, Zuyang; Li, Hua
2013-06-01
We report a combined experimental and theoretical study on the vibronic structure of CH_3F^+. The results show that the tunneling splittings of vibrational energy levels occur in CH_3F^+ due to the Jahn-Teller effect. Experimentally, we have measured a high resolution ZEKE spectrum of CH_3F up to 3500 cm^-^1 above the ground state. Theoretically, we performed an ab initio calculation based on the diabatic model. The adiabatic potential energy surfaces (APES) of CH_3F^+ have been calculated at the MRCI/CAS/avq(t)z level and expressed by Taylor expansions with normal coordinates as variables. The energy gradients for the lower and upper APES, the derivative couplings between them and also the energies of the APES have been used to determine the coefficients in the Taylor expansion. The spin-vibronic energy levels have been calculated by accounting all six vibrational modes and their couplings. The experimental ZEKE spectra were assigned based on the theoretical calculations. W. Domcke, D. R. Yarkony, and H. Köpple (Eds.), Conical Intersections: Eletronic Structure, Dynamics and Spectroscopy (World Scientific, Singapore, 2004). M. S. Schuurman, D. E. Weinberg, and D. R. Yarkony, J. Chem. Phys. 127, 104309 (2007).
Spectroscopy of hexafluorides with an odd number of electrons
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)
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)
Nonadiabatic effects in electronic and nuclear dynamics
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.
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.
Dynamic Effects of Diabatization in Distillation Columns
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...
Allee effects on population dynamics in continuous (overlapping) case
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.
Li Baoxing; Cao Peilin; Song Bin; Ye Zhezhen
2003-02-10
Using full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have studied the geometric and electronic structures of ionic Ge{sub 5-10} clusters. Our calculations show that the ground state structures of some Ge cluster ions are different from those of their corresponding neutral Ge clusters. Furthermore, the positive Ge ions have more severe structural distortion than the negative Ge ions due to Jahn-Teller distortion. In addition, there are differences between the ground state structures of Ge ions and Si ions, although most of the Ge ions have similar geometrical configurations to their corresponding Si ions.
Dynamic plasma screening effects on atomic collisions in dense plasmas
Young-Dae Jung
1999-01-01
Dynamic plasma screening effects are investigated on electron-ion collisional excitation and Coulomb Bremsstrahlung processes in dense plasmas. The electron-ion interaction potential is considered by introduction of the plasma dielectric function. The straight-ling trajectory method is applied to the path of the projectile electron. The transition probability including the dynamic plasma screening effect is found to be always greater than that including the static plasma screening effects. It is found that the differential Bremsstrahlung radiation cross section including the dynamic plasma screening effect is also greater than that including the static plasma screening effect. When the projectile velocity is smaller than the electron thermal velocity, the dynamic polarization screening effect becomes the static plasma screening effect. However, when the projectile velocity is greater than the electron thermal velocity, the interaction potential is almost unshielded
Order in cold ionic systems: Dynamic effects
Schiffer, J.P.
1988-01-01
The present state and recent developments in Molecular Dynamics calculations modeling cooled heavy-ion beams are summarized. First, a frame of reference is established, summarizing what has happened in the past; then the properties of model systems of cold ions studied in Molecular Dynamics calculations are reviewed, with static boundary conditions with which an ordered state is revealed; finally, more recent results on such modelling, adding the complications in the (time-dependent) boundary conditions that begin to approach real storage rings (ion traps) are reported. 14 refs., 19 figs., 2 tabs
Robust dynamical effects in traffic and chaotic maps on trees
Here we study two types of well-defined diffusive dynamics on scale-free trees: traffic of packets as navigated random walks, and chaotic standard maps coupled along the network links. We show that in both cases robust collective dynamic effects appear, which can be measured statistically and related to non-ergodicity of ...
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
Varying parameter models to accommodate dynamic promotion effects
Foekens, E.W.; Leeflang, P.S.H.; Wittink, D.R.
1999-01-01
The purpose of this paper is to examine the dynamic effects of sales promotions. We create dynamic brand sales models (for weekly store-level scanner data) by relating store intercepts and a brand's own price elasticity to a measure of the cumulated previous price discounts - amount and time - for
Effects of regularisation priors on dynamic PET Data
Caldeira, Liliana; Scheins, Juergen; Silva, Nuno da; Gaens, Michaela; Shah, N Jon
2014-01-01
Dynamic PET provides temporal information about tracer uptake. However, each PET frame has usually low statistics, resulting in noisy images. The goal is to study effects of prior regularisation on dynamic PET data. Quantification and noise in image-domain and time-domain as well as impact on parametric images is assessed.
Effect of dissipation on dynamical fusion thresholds
Sierk, A.J.
1986-01-01
The existence of dynamical thresholds to fusion in heavy nuclei (A greater than or equal to 200) due to the nature of the potential-energy surface is shown. These thresholds exist even in the absence of dissipative forces, due to the coupling between the various collective deformation degrees of freedom. Using a macroscopic model of nuclear shape dynamics, It is shown how three different suggested dissipation mechanisms increase by varying amounts the excitation energy over the one-dimensional barrier required to cause compound-nucleus formation. The recently introduced surface-plus-window dissipation may give a reasonable representation of experimental data on fusion thresholds, in addition to properly describing fission-fragment kinetic energies and isoscalar giant multipole widths. Scaling of threshold results to asymmetric systems is discussed. 48 refs., 10 figs
Orbital symmetry fingerprints for magnetic adatoms in graphene
Uchoa, Bruno; Yang, Ling; Tsai, S.-W.; Peres, N. M. R.; Castro Neto, A. H.
2014-01-01
In this paper, we describe the formation of local resonances in graphene in the presence of magnetic adatoms containing localized orbitals of arbitrary symmetry, corresponding to any given angular momentum state. We show that quantum interference effects which are naturally inbuilt in the honeycomb lattice in combination with the specific orbital symmetry of the localized state lead to the formation of fingerprints in differential conductance curves. In the presence of Jahn-Teller distortion effects, which lift the orbital degeneracy of the adatoms, the orbital symmetries can lead to distinctive signatures in the local density of states. We show that those effects allow scanning tunneling probes to characterize adatoms and defects in graphene.
Symmetrical analysis of the defect level splitting in two-dimensional photonic crystals
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.
Strain-energy effects on dynamic fragmentation
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
Development of Dynamic Environmental Effect Calculation Model
Jeong, Chang Joon; Ko, Won Il
2010-01-01
The short-term, long-term decay heat, and radioactivity are considered as main environmental parameters of SF and HLA. In this study, the dynamic calculation models for radioactivity, short-term decay heat, and long-term heat load of the SF are developed and incorporated into the Doneness code. The spent fuel accumulation has become a major issue for sustainable operation of nuclear power plants. If a once-through fuel cycle is selected, the SF will be disposed into the repository. Otherwise, in case of fast reactor or reuse cycle, the SF will be reprocessed and the high level waste will be disposed
Dynamical Casimir effect with semi-transparent mirrors, and cosmology
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
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.
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.
Cu cluster shell structure at elevated temperatures
Christensen, Ole Bøssing; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet
1991-01-01
Equilibrium structures of small (3–29)-atom Cu clusters are determined by simulated annealing, and finite-temperature ensembles are simulated by Monte Carlo techniques using the effective-medium theory for the energy calculation. Clusters with 8, 18, and 20 atoms are found to be particularly stable....... The equilibrium geometrical structures are determined and found to be determined by a Jahn-Teller distortion, which is found to affect the geometry also at high temperatures. The ‘‘magic’’ clusters retain their large stability even at elevated temperatures....
Studies of the fluorescent excited state of impurities in ionic crystals
Romestain, Robert
1972-01-01
The author of this research thesis first presents experimental methods used in this research: principles (recall on the optical spectrum of an impurity in a solid, use of fluorescence polarization) and techniques (sample preparation, liquid helium cryostat, application of a disturbance, optical detection). Then, he reports the study of the Mn ++ ion in a tetrahedron crystalline field, the study of the Jahn Teller effect on the excited state of the F + centre in CaO, and the study by double resonance of a specific excited state of this same centre in CaO
Even-Odd Differences and Shape Deformation of Metal Clusters
Hidetoshi, Nishioka; Yoshio, Takahashi; Department of Physics, Konan University; Faculty of General Education, Yamagata University
1994-01-01
The relation between even-odd difference of metal cluster and the deformation of equilibrium shape is studied in terms of two different models; (i) tri-axially deformed harmonic oscillator model, (ii) rectangular box model. Having assumed the matter density ρ kept constant for different shapes of a cluster, we can determine the equilibrium shape both for the two models. The enhancement of HOMO-LUMO gap is obtained and it is ascribed to Jahn-Teller effect. Good agreement of the calculated resu...
A variational study of the self-trapped magnetic polaron formation in double-exchange model
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
Dynamic load effects on gate valve operability
Steele, R. Jr.; MacDonald, P.E.; Arendts, J.G.
1986-01-01
The Idaho National Engineering Laboratory (INEL) participated in an internationally sponsored seismic research program conducted at the decommissioned Heissdampfreaktor (HDR) located in the Federal Republic of Germany. An existing piping system was modified by installation of an 8-in., naturally aged, motor-operated gate valve from a US nuclear power plant and a piping support system of US design. Six other piping support systems of varying flexibility from stiff to flexible were also installed at various times during the tests. Additional valve loadings included internal hydraulic loads and, during one block of tests, elevated temperature. The operability and integrity of the aged gate valve and the dynamic response of the various piping support system were measured during 25 representative seismic events
Cancellation Effects in CSR Induced Bunch Transverse Dynamics in Bends
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
Discontinuity effects in dynamically loaded tilting pad journal bearings
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 effects of dynamics on statistical emission
Friedman, W.A.
1989-01-01
The dynamical processes which occur during the disassembly of an excited nuclear system influence predictions arising from a statistical treatment of the decay of that system. Changes, during the decay period, in such collective properties as angular momentum, density, and kinetic energy of the emitting source affect both the mass and energy spectra of the emitted fragments. This influence will be examined. The author will explore the influence of nuclear compressibility on the decay process, in order to determine what information can be learned about this property from the products of decay. He will compare the relationship between disparate scenarios of decay: a succession of binary decays, each governed by statistics; and a full microcanonical distribution at a single freeze-out density. The author hopes to learn from the general nature of these two statistical predictions when one or the other might be more realistic, and what signatures resulting from the two models might be used to determine which accounts best for specific experimental results
Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effects
Smith, Brendan; Akimov, Alexey V.
2018-04-01
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.
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...
Effect of time derivative of contact area on dynamic friction
Arakawa, Kazuo
2015-01-01
This study investigated dynamic friction during oblique impact of a golf ball by evaluating the ball’s angular velocity, contact force, and the contact area between the ball and target. The effect of the contact area on the angular velocities was evaluated, and the results indicated that the contact area plays an important role in dynamic friction. In this study, the dynamic friction force F was given by F= μN+μη.dA/dt, where μ is the coefficient of friction, N is the contact force, dA/dt is ...
Dynamical effects in multifragmentation at intermediate energies
Colin, J.; Cussol, D.; Normand, J. [Caen Univ., Lab. de Physique Corpusculaire, IN2P3-CNRS/ENSICAEN, 14 (France)] [and others
2003-04-01
The fragmentation of the quasi-projectile is studied with the INDRA multidetector for different colliding systems and incident energies in the Fermi energy range. Different experimental observations show that a large part of the fragmentation is not compatible with the statistical fragmentation of a fully equilibrated nucleus. The study of internal correlations is a powerful tool, especially to evidence entrance channel effects. These effects have to be included in the theoretical descriptions of nuclear multifragmentation. (authors)
The Dynamic Advertising Effect of Collegiate Athletics
Chung, Doug Jin
2013-01-01
I measure the spillover effect of intercollegiate athletics on the quantity and quality of applicants to institutions of higher education in the United States, popularly known as the “Flutie Effect.” I treat athletic success as a stock of goodwill that decays over time, similar to that of advertising. A major challenge is that privacy laws prevent us from observing information about the applicant pool. I overcome this challenge by using order statistic distribution to infer applicant quality ...
Effect of Fluid Dynamic Viscosity on the Strength of Chalk
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...
Information feedback and mass media effects in cultural dynamics
Gonzalez-Avella, J. C.; Cosenza, M. G.; Klemm, K.; Eguiluz, V. M.; Miguel, M. San
2007-01-01
We study the effects of different forms of information feedback associated with mass media on an agent-agent based model of the dynamics of cultural dissemination. In addition to some processes previously considered, we also examine a model of local mass media influence in cultural dynamics. Two mechanisms of information feedback are investigated: (i) direct mass media influence, where local or global mass media act as an additional element in the network of interactions of each agent, and (i...
On the dynamic effects of foreign aid on corruption
Simplice Asongu
2015-01-01
We assemble more pieces on the puzzle of the aid-corruption nexus. In essence, we extend the debate on the effect of foreign aid on corruption by providing evidence on dynamic effects of wealth, legal origin, religious-domination, regional proximity, openness to sea, natural resources and politico-economic stability. The empirical evidence from dynamic panel GMM estimation is based on 53 African countries for the period 1996-2010. The findings show that the positive effect of foreign aid on c...
Effects of Instantaneous Multiband Dynamic Compression on Speech Intelligibility
Herzke Tobias
2005-01-01
Full Text Available The recruitment phenomenon, that is, the reduced dynamic range between threshold and uncomfortable level, is attributed to the loss of instantaneous dynamic compression on the basilar membrane. Despite this, hearing aids commonly use slow-acting dynamic compression for its compensation, because this was found to be the most successful strategy in terms of speech quality and intelligibility rehabilitation. Former attempts to use fast-acting compression gave ambiguous results, raising the question as to whether auditory-based recruitment compensation by instantaneous compression is in principle applicable in hearing aids. This study thus investigates instantaneous multiband dynamic compression based on an auditory filterbank. Instantaneous envelope compression is performed in each frequency band of a gammatone filterbank, which provides a combination of time and frequency resolution comparable to the normal healthy cochlea. The gain characteristics used for dynamic compression are deduced from categorical loudness scaling. In speech intelligibility tests, the instantaneous dynamic compression scheme was compared against a linear amplification scheme, which used the same filterbank for frequency analysis, but employed constant gain factors that restored the sound level for medium perceived loudness in each frequency band. In subjective comparisons, five of nine subjects preferred the linear amplification scheme and would not accept the instantaneous dynamic compression in hearing aids. Four of nine subjects did not perceive any quality differences. A sentence intelligibility test in noise (Oldenburg sentence test showed little to no negative effects of the instantaneous dynamic compression, compared to linear amplification. A word intelligibility test in quiet (one-syllable rhyme test showed that the subjects benefit from the larger amplification at low levels provided by instantaneous dynamic compression. Further analysis showed that the increase
Vehicle dynamic effects in the course of passing over turnouts
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.
Effective string dynamics in large N QCD
Iroshnikov, G.S. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)]|[Moskow Inst. of Physics and Technology, Moscow (Russian Federation)
1995-05-01
The semiclassical 1/N expansion in the strong coupling regime for spinor quarks was developed and the form of effective action was obtained. An extremum of the effective action that arises in the calculation of the hadronic correlation functions in the large N limit corresponds to a topologically non-trivial configuration of the gauge field. This configuration forms a chromoelectric Nambu string with additional spinor terms that contain in particular the Polyakov spinor factor. In the case when real quarks forming hadrons are replaced by scalar particles the above correlators yield the standard dual resonance amplitudes. (author). 10 refs, 1 fig.
Effect of 4-nonylphenol on the sperm dynamic parameters ...
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 ...
Colossal magnetoresistance manganites
Keywords. Manganites; colossal magnetoresistance; strongly correlated electron systems; metal-insulator transitions and other electronic transitions; Jahn-Teller polarons and electron-phonon interaction.
Large cutoff effects of dynamical Wilson fermions
Sommer, R.; Hoffmann, R.; Knechtli, F.; Rolf, J.; Wolff, U.; Wetzorke, I.
2003-09-01
We present and discuss results for cutoff effects in the PCAC masses and the mass dependence of r 0 for full QCD and various fermion actions. Our discussion of how one computes mass dependences - here of r 0 - is also relevant for comparisons with chiral perturbation theory. (orig.)
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
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.
Possible unifying effect of the dynamic theory
Williams, P.E.
1983-05-01
This report presents the tentative results of recent research during which a neocoulombic electrostatic force of the form (k/r 2 )(1-lambda/r) exp(-lambda/r) was derived. This neocoulombic force offers a possible alternative explanation of nuclear phenomena without the necessity for postulating the existence of nuclear forces, and it allows the prediction of nuclear masses. The result is a view of physics in a five-dimensional manifold of space, time, and mass density in which the gauge field includes gravitational and electromagnetic components coupled by a single system of eight differential equations, quantum effects occur as the result of a restrictive assumption, and nuclear phenomena result from the new form for the electrostatic force. Also, the geometrical effect on the unit of action in quantum mechanics is presented, the self-energy of charged particles is calculated, and experimental tests of the theory are suggested
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.
Framing effects: behavioral dynamics and neural basis.
Zheng, Hongming; Wang, X T; Zhu, Liqi
2010-09-01
This study examined the neural basis of framing effects using life-death decision problems framed either positively in terms of lives saved or negatively in terms of lives lost in large group and small group contexts. Using functional MRI we found differential brain activations to the verbal and social cues embedded in the choice problems. In large group contexts, framing effects were significant where participants were more risk seeking under the negative (loss) framing than under the positive (gain) framing. This behavioral difference in risk preference was mainly regulated by the activation in the right inferior frontal gyrus, including the homologue of the Broca's area. In contrast, framing effects diminished in small group contexts while the insula and parietal lobe in the right hemisphere were distinctively activated, suggesting an important role of emotion in switching choice preference from an indecisive mode to a more consistent risk-taking inclination, governed by a kith-and-kin decision rationality. Copyright 2010 Elsevier Ltd. All rights reserved.
Experimental investigation of transient thermoelastic effects in dynamic fracture
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)
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
Experimental Investigation of Hysteretic Dynamic Capillarity Effect in Unsaturated Flow
Zhuang, Luwen; Hassanizadeh, S. Majid; Qin, Chao-Zhong; de Waal, Arjen
2017-11-01
The difference between average pressures of two immiscible fluids is commonly assumed to be the same as macroscopic capillary pressure, which is considered to be a function of saturation only. However, under transient conditions, a dependence of this pressure difference on the time rate of saturation change has been observed by many researchers. This is commonly referred to as dynamic capillarity effect. As a first-order approximation, the dynamic term is assumed to be linearly dependent on the time rate of change of saturation, through a material coefficient denoted by τ. In this study, a series of laboratory experiments were carried out to quantify the dynamic capillarity effect in an unsaturated sandy soil. Primary, main, and scanning drainage experiments, under both static and dynamic conditions, were performed on a sandy soil in a small cell. The value of the dynamic capillarity coefficient τ was calculated from the air-water pressure differences and average saturation values during static and dynamic drainage experiments. We found a dependence of τ on saturation, which showed a similar trend for all drainage conditions. However, at any given saturation, the value of τ for primary drainage was larger than the value for main drainage and that was in turn larger than the value for scanning drainage. Each data set was fit a simple log-linear equation, with different values of fitting parameters. This nonuniqueness of the relationship between τ and saturation and possible causes is discussed.
Memory effects in nonadiabatic molecular dynamics at metal surfaces
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...... energy of the oscillator. We then compare the result of Langevin dynamics in a harmonic potential with a perturbative master equation approach and show that the Langevin equation gives a better description in the nonperturbative range of high temperatures and large friction. Unlike the master equation......, 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...
Dynamic nonlinear thermal optical effects in coupled ring resonators
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.
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.
Nonlocal effects on dynamic damage accumulation in brittle solids
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.
Dynamics of electrostatically driven granular media: Effects of humidity
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
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.
Effect of centrifugation on dynamic susceptibility of magnetic fluids
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.
Effect of centrifugation on dynamic susceptibility of magnetic fluids
Pshenichnikov, Alexander, E-mail: pshenichnikov@icmm.ru; Lebedev, Alexander; Lakhtina, Ekaterina; Kuznetsov, Andrey
2017-06-15
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.
Dynamic simulation for effective workforce management in new product development
M. Mutingi
2012-10-01
Full Text Available Effective planning and management of workforce for new product development (NPD projects is a great challenge to many organisations, especially in the presence of engineering changes during the product development process. The management objective in effective workforce management is to recruit, develop and deploy the right people at the right place at the right time so as to fulfill organizational objectives. In this paper, we propose a dynamic simulation model to address the workforce management problem in a typical NPD project consisting of design, prototyping, and production phases. We assume that workforce demand is a function of project work remaining and the current available skill pool. System dynamics simulation concepts are used to capture the causality relationships and feedback loops in the workforce system from a systems thinking. The evaluation of system dynamics simulation reveals the dynamic behaviour in NPD workforce management systems and shows how adaptive dynamic recruitment and training decisions can effectively balance the workforce system during the NPD process.
Cardiolipin effects on membrane structure and dynamics.
Unsay, Joseph D; Cosentino, Katia; Subburaj, Yamunadevi; García-Sáez, Ana J
2013-12-23
Cardiolipin (CL) is a lipid with unique properties solely found in membranes generating electrochemical potential. It contains four acyl chains and tends to form nonlamellar structures, which are believed to play a key role in membrane structure and function. Indeed, CL alterations have been linked to disorders such as Barth syndrome and Parkinson's disease. However, the molecular effects of CL on membrane organization remain poorly understood. Here, we investigated the structure and physical properties of CL-containing membranes using confocal microscopy, fluorescence correlation spectroscopy, and atomic force microscopy. We found that the fluidity of the lipid bilayer increased and its mechanical stability decreased with CL concentration, indicating that CL decreases the packing of the membrane. Although the presence of up to 20% CL gave rise to flat, stable bilayers, the inclusion of 5% CL promoted the formation of flowerlike domains that grew with time. Surprisingly, we often observed two membrane-piercing events in atomic force spectroscopy experiments with CL-containing membranes. Similar behavior was observed with a lipid mixture mimicking the mitochondrial outer membrane composition. This suggests that CL promotes the formation of membrane areas with apposed double bilayers or nonlamellar structures, similar to those proposed for mitochondrial contact sites. All together, we show that CL induces membrane alterations that support the role of CL in facilitating bilayer structure remodeling, deformation, and permeabilization.
The effect of host relaxation and dynamics on guest molecule dynamics in H2/tetrahydrofuranhydrate.
Peterson, Vanessa K; Shoko, Elvis; Kearley, Gordon J
2011-01-01
We use ab initio molecular dynamics simulations to obtain classically the effects of H2O cage motions on the potential-energy surface (PES) of encapsulated H2 in the H2/tetrahydrofuran-hydrate system. The significant differences between the PES for the H2 in rigid and flexible cages that we find will influence calculation of the quantum dynamics of the H2. Part of these differences arises from the relaxation of the H2O cage around the classical H2, with a second part arising from the coupling of both translational and rotational motions of H2 with the H20 cage. We find that isotopic substitution of 2H for 1H of the H2O cage affects the coupling, which has implications for experiments that require the use of 2H2O, including inelastic neutron scattering that uses 2H2O cages in order to focus on the H2 guest dynamics. Overall, this work emphasizes the importance of taking into account cage dynamics in any approach used to understand the dynamics of H2 guests in porous framework materials.
Thermoelectric Power and Normal State of the High - Tc Copper Oxides
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)
Immediate effects of cryotherapy on static and dynamic balance.
Douglas, Matthew; Bivens, Serena; Pesterfield, Jennifer; Clemson, Nathan; Castle, Whitney; Sole, Gisela; Wassinger, Craig A
2013-02-01
Cryotherapy is commonly used in physical therapy with many known benefits; however several investigations have reported decreased functional performance following therapeutic application thereof. The purpose of this study was to determine the effect of cryotherapy applied to the ankle on static and dynamic standing balance. It was hypothesized that balance would be decreased after cryotherapy application. Twenty individuals (aged 18 to 40 years) participated in this research project. Each participant was tested under two conditions: an experimental condition where subjects received ice water immersion of the foot and ankle for 15 minutes immediately before balance testing and a control condition completed at room temperature. A Biodex® Balance System was used to quantify balance using anterior/posterior (AP), medial/lateral (ML), and overall balance indices. Paired t-tests were used to compare the balance indices for the two conditions with alpha set at 0.05 a priori. Effect size was also calculated to account for the multiple comparisons made. The static balance indices did not display statistically significant differences between the post-cryotherapy and the control conditions with low effect sizes. Dynamic ML indices significantly increased following the cryotherapy application compared to the control exhibiting a moderate effect size indicating decreased balance following cryotherapy application. No differences were noted between experimental and control conditions for the dynamic AP or overall balance indices while a small effect size was noted for both. The results suggest that cryotherapy to the ankle has a negative effect on the ML component of dynamic balance following ice water immersion. Immediate return to play following cryotherapy application is cautioned given the decreased dynamic ML balance and potential for increased injury risk. 3b Case-control study.
Effect of surface modification and hybridization on dynamic ...
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 ...
Perceptual Effects of Dynamic Range Compression in Popular Music Recordings
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 in ...
Modeling dynamic effects of promotion on interpurchase times
D. Fok (Dennis); R. Paap (Richard); Ph.H.B.F. Franses (Philip Hans)
2002-01-01
textabstractIn this paper we put forward a duration model to analyze the dynamic effects of marketing-mix variables on interpurchase times. We extend the accelerated failure-time model with an autoregressive structure. An important feature of our model is that it allows for different long-run and
THE EFFECT OF ROCK PHOSPHATE ON SOIL NUTRIENT DYNAM ...
DEPT OF AGRICULTURAL ENGINEERING
INTRODUCTION. With the current ..... Table 4: Effect of treatment on dynamics of total nitrogen (%) from. 2004 to 2007 ..... areas in Ghana and constant plant nutrient up- take by the crop. ... maintenance of high organic matter levels in the top soil is ... productivity. The pH of the soil ..... and iron oxides of Oxisols from Ghana.
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
Integrated effect of treadmill training combined with dynamic ankle ...
Abd El Aziz Ali Sherief
2015-01-13
Jan 13, 2015 ... of this study was to determine the combined effects of treadmill and dynamic ankle foot ... electrical stimulation, constrained induced therapy and ortho- ... restricted plantar flexion. .... older). (2) The child performs the item according to the criteria ... applied and intended to control position and motion of the.
Narrow coherent effects in πNN-dynamics
Kudryavtsev, A.E.; Obrant, G.Z.
1990-01-01
Coherent effect production is considered in πNN-dynamics with resonant pion-nucleon interaction via Brueckner theory and Faddev equations. It is shown that the narrow energy and final momentum dependence can arise in the inelastic S-wave πd-scattering. The energy dependence peculiarities can have a width an order magnitude less than πN-resonance one
Dynamic droop scheme considering effect of intermittent renewable energy source
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...
A dynamic model of the greenhouse effect and its control
Perman, R.; Nisbet, R.; Ma, Y.
1991-01-01
A dynamic model is developed for the analysis of programmes to control the greenhouse effect. The model uses simplified representations of physical processes determining climate change, linked to an economic model of emissions and emissions abatement. Feedbacks between physical and economic processes are incorporated, and the costs of emissions reduction are compared with the benefits through averted damage. Simulation analyses explore the relative merits of several intervention scenarios, each of which is compared with non intervention. Throughout the paper, emphasis is placed upon the long term consequences of behaviour, and the patterns of dynamic adjustment over time. (author)
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.
Dynamics of Quantum Entanglement in Reservoir with Memory Effects
Hao Xiang; Sha Jinqiao; Sun Jian; Zhu Shiqun
2012-01-01
The non-Markovian dynamics of quantum entanglement is studied by the Shabani-Lidar master equation when one of entangled quantum systems is coupled to a local reservoir with memory effects. The completely positive reduced dynamical map can be constructed in the Kraus representation. Quantum entanglement decays more slowly in the non-Markovian environment. The decoherence time for quantum entanglement can be markedly increased with the change of the memory kernel. It is found out that the entanglement sudden death between quantum systems and entanglement sudden birth between the system and reservoir occur at different instants. (general)
Dynamic simulation for effective workforce management in new product development
M. Mutingi
2012-01-01
Effective planning and management of workforce for new product development (NPD) projects is a great challenge to many organisations, especially in the presence of engineering changes during the product development process. The management objective in effective workforce management is to recruit, develop and deploy the right people at the right place at the right time so as to fulfill organizational objectives. In this paper, we propose a dynamic simulation model to address the workforce mana...
Effective control of complex turbulent dynamical systems through statistical functionals.
Majda, Andrew J; Qi, Di
2017-05-30
Turbulent dynamical systems characterized by both a high-dimensional phase space and a large number of instabilities are ubiquitous among complex systems in science and engineering, including climate, material, and neural science. Control of these complex systems is a grand challenge, for example, in mitigating the effects of climate change or safe design of technology with fully developed shear turbulence. Control of flows in the transition to turbulence, where there is a small dimension of instabilities about a basic mean state, is an important and successful discipline. In complex turbulent dynamical systems, it is impossible to track and control the large dimension of instabilities, which strongly interact and exchange energy, and new control strategies are needed. The goal of this paper is to propose an effective statistical control strategy for complex turbulent dynamical systems based on a recent statistical energy principle and statistical linear response theory. We illustrate the potential practical efficiency and verify this effective statistical control strategy on the 40D Lorenz 1996 model in forcing regimes with various types of fully turbulent dynamics with nearly one-half of the phase space unstable.
Continuous Trading Dynamically Effectively Complete Market with Heterogeneous Beliefs
Qin, Zhenjiang
on the heterogeneous posterior variance of dividend throughout [0; T). The market populated with many time-additive exponential-utility investors is dynamically effectively complete, if investors are allowed to trade in only two long-lived securities continuously. The underlying mechanism is that these assumptions...... imply that the Pareto efficient individual consumption plans are measurable with respect to the aggregate consumption. Hence, I may not need a dynamically complete market to facilitate a Pareto efficient allocation of consumption, the securities only have to facilitate an allocation which is measurable...... 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....
On the nature of the phase transition in uranium dioxide
Gofryk, K.; Mast, D.; Antonio, D.; Shrestha, K.; Andersson, D.; Stanek, C.; Jaime, M.
Uranium dioxide (UO2) is by far the most studied actinide material as it is a primary fuel used in light water nuclear reactors. Its thermal and magnetic properties remain, however, a puzzle resulting from strong couplings between magnetism and lattice vibrations. UO2 crystalizes in the face-centered-cubic fluorite structure and is a Mott-Hubbard insulator with well-localized uranium 5 f-electrons. In addition, below 30 K, a long range antiferromagnetic ordering of the electric-quadrupole of the uranium moments is observed, forming complex non-collinear 3-k magnetic structure. This transition is accompanied by Jahn-Teller distortion of oxygen atoms. It is believed that the first order nature of the transition results from the competition between the exchange interaction and the Jahn-Teller distortion. Here we present results of our extensive thermodynamic investigations on well-characterized and oriented single crystals of UO2+x (x = 0, 0.033, 0.04, and 0.11). By focusing on the transition region under applied magnetic field we are able to study the interplay between different competing interactions (structural, magnetic, and electrical), its dynamics, and relationship to the oxygen content. We will discuss implications of these results. Work supported by the Department of Energy, Office of Basic Energy Sciences, Materials Sciences, and Engineering Division.
Effects of tear film dynamics on quality of vision.
Koh, Shizuka; Tung, Cynthia I; Inoue, Yasushi; Jhanji, Vishal
2018-06-15
The precorneal tear film is maintained by blinking and exhibits different phases in the tear cycle. The tear film serves as the most anterior surface of the eye and plays an important role as a first refractive component of the eye. Alterations in tear film dynamics may cause both vision-related and ocular surface-related symptoms. Although the optical quality associated with the tear film dynamics previously received little attention, objective measurements of optical quality using wavefront sensors have enabled us to quantify optical aberrations induced by the tear film. This has provided an objective method for assessing reduced optical quality in dry eye; thus, visual disturbances were included in the definition of dry eye disease in the 2007 Dry Eye Workshop report. In addition, sequential measurements of wavefront aberrations have provided us with valuable insights into the dynamic optical changes associated with tear film dynamics. This review will focus on the current knowledge of the mechanisms of wavefront variations that are caused by different aspects of tear film dynamics: specifically, quality, quantity and properties of the tear film, demonstrating the respective effects of dry eye, epiphora and instillation of eye drops on the quality of vision. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.
Stock price dynamics and option valuations under volatility feedback effect
Kanniainen, Juho; Piché, Robert
2013-02-01
According to the volatility feedback effect, an unexpected increase in squared volatility leads to an immediate decline in the price-dividend ratio. In this paper, we consider the properties of stock price dynamics and option valuations under the volatility feedback effect by modeling the joint dynamics of stock price, dividends, and volatility in continuous time. Most importantly, our model predicts the negative effect of an increase in squared return volatility on the value of deep-in-the-money call options and, furthermore, attempts to explain the volatility puzzle. We theoretically demonstrate a mechanism by which the market price of diffusion return risk, or an equity risk-premium, affects option prices and empirically illustrate how to identify that mechanism using forward-looking information on option contracts. Our theoretical and empirical results support the relevance of the volatility feedback effect. Overall, the results indicate that the prevailing practice of ignoring the time-varying dividend yield in option pricing can lead to oversimplification of the stock market dynamics.
Effects of dynamic aging and tensile properties of beryllium
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
Noninertial effects on the quantum dynamics of scalar bosons
Castro, Luis B.
2016-01-01
The noninertial effect of rotating frames on the quantum dynamics of scalar bosons embedded in the background of a cosmic string is considered. In this work, scalar bosons are described by the Duffin-Kemmer-Petiau (DKP) formalism. Considering the DKP oscillator in this background the combined effects of a rotating frames and cosmic string on the equation of motion, energy spectrum, and DKP spinor are analyzed and discussed in detail. Additionally, the effect of rotating frames on the scalar bosons' localization is studied. (orig.)
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.
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
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
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.
Water Tunnel Studies of Dynamic Wing Flap Effects
2016-06-01
NAVAL POSTGRADUATE SCHOOL MONTEREY, CALIFORNIA THESIS Approved for public release; distribution is unlimited WATER TUNNEL...Master’s Thesis 4. TITLE AND SUBTITLE WATER TUNNEL STUDIES OF DYNAMIC WING FLAP EFFECTS 5. FUNDING NUMBERS 6. AUTHOR(S) Edgar E. González 7. PERFORMING...ABSTRACT (maximum 200 words ) The flow features developing over a two-element NACA 0012 airfoil, with the rear portion serving as a trailing edge flap
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.
Vibronic coupling in ionized organic molecules: structural distortions and chemical reactions
Williams, Ffrancon
2003-01-01
Ionized organic molecules (radical cations) in radiation chemistry are liable to undergo vibronic coupling whenever there is a relatively small energy gap (∼0.5-1.5 eV) between their ground and excited states. As a result of this mixing, the force constant for the symmetry-allowed vibrational mode that couples these states is lowered in the ground state of the radical cation so that deformation can take place more easily along this specific mode. This pseudo-Jahn-Teller effect can then result in a permanent structural distortion of the radical cation relative to the symmetry of the parent neutral molecule. It can also bring about an energetically favored pathway for a facile chemical rearrangement along a reaction coordinate defined by the coupling mode. Examples taken from matrix-isolation studies are used to illustrate these dramatic consequences of vibronic coupling in radical cations. Thus, the bicyclo[2.2.2]oct-2-ene and tetramethylurea radical cations are found to have twisted structures departing from the C 2v symmetry of their parent molecules, while the oxirane and bicyclo[1.1.1]pentane radical cations undergo ring-opening rearrangements along reaction coordinates that correspond to the deformational modes predicted by the pseudo-Jahn-Teller effect
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.
Polarizability effects on the structure and dynamics of ionic liquids
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.
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.
Interplay of structural transition and superconductivity in cuprates
Ghosh, Haranath; Mitra, Manidipa; Behera, S.N.; Ghatak, S.K.
1997-01-01
The presence of lattice distortion is known to suppress the superconducting (SC) transition in the cuprates. It is now accepted that electron correlation plays a dominant role in shaping the properties of these undoped and doped systems. Furthermore, since the Fermi level in these systems lies in a degenerate band of Cu : d and O : p orbitals the structural transition can be modeled as a band Jahn-Teller effect. We study the coexistence of superconductivity and band Jahn-Teller (J-T) distortion, taking into account the electron correlation within the slave boson formalism. It is shown that with increasing dopant concentration (δ), the structural transition temperature (T s ) remains constant up to a certain value and then vanishes, while the SC transition temperature (T c ) increases to a maximum value. The highest value of T c corresponds to that value of δ where T s vanishes. Besides with increasing lattice distortion superconductivity is suppressed. These findings are in qualitative agreement with the experimental results. (author)
Complex scattering dynamics and the quantum Hall effects
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 robust torus on the dynamical transport
Martins, C G L; Carvalho, R Egydio de; Caldas, I L; Roberto, M
2010-01-01
In the present work, we quantify the fraction of trajectories that reach a specific region of the phase space when we vary a control parameter using two symplectic maps: one non-twist and another one twist. The two maps were studied with and without a robust torus. We compare the obtained patterns and we identify the effect of the robust torus on the dynamical transport. We show that the effect of meandering-like barriers loses importance in blocking the radial transport when the robust torus is present.
The Dynamic Effects of Entrepreneurship on Regional Economic Growth
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...
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
Moessbauer effect in lattice dynamics. Experimental techniques and applications
Chen, Yi-Long; Yang, De-Ping
2007-01-01
This up-to-date review closes an important gap in the existing literature by providing a comprehensive description of the applications of Moessbauer effect in lattice dynamics, along with a collection of applications in metals, alloys, amorphous solids, molecular crystals, thin films, and nanocrystals. It is the first book to systematically compare Moessbauer spectroscopy using synchrotron radiation to conventional Moessbauer spectroscopy, discussing in detail its advantages and capabilities, backed by the latest theoretical developments and experimental examples. Intended as a self-contained volume that may be used as a complete reference or textbook, 'Moessbauer Effect in Lattice Dynamics' adopts new pedagogical approaches with several non-traditional and refreshing theoretical expositions, while all quantitative relations are derived with the necessary details so as to be easily followed by the reader. Two entire chapters are devoted to the study of the dynamics of impurity atoms in solids, while a thorough description of the Mannheim model as a theoretical method is presented and its predictions compared to experimental results. Finally, an in-depth analysis of absorption of Moessbauer radiation is presented, based on recent research by one of the authors, resulting in an exact expression of fractional absorption and a method to determine the optimal thickness of an absorber. Supplemented by elaborate appendices containing constants and parameters. (orig.)
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.
Effective dynamics of the closed loop quantum cosmology
Mielczarek, Jakub; Szydłowski, Marek; Hrycyna, Orest
2009-01-01
In this paper we study dynamics of the closed FRW model with holonomy corrections coming from loop quantum cosmology. We consider models with a scalar field and cosmological constant. In case of the models with cosmological constant and free scalar field, dynamics reduce to 2D system and analysis of solutions simplify. If only free scalar field is included then universe undergoes non-singular oscillations. For the model with cosmological constant, different behaviours are obtained depending on the value of Λ. If the value of Λ is sufficiently small, bouncing solutions with asymptotic de Sitter stages are obtained. However if the value of Λ exceeds critical value Λ c = 3 1/2 m Pl 2 /2πγ 3 ≅ 21m Pl 2 then solutions become oscillatory. Subsequently we study models with a massive scalar field. We find that this model possess generic inflationary attractors. In particular field, initially situated in the bottom of the potential, is driven up during the phase of quantum bounce. This subsequently leads to the phase of inflation. Finally we find that, comparing with the flat case, effects of curvature do not change qualitatively dynamics close to the phase of bounce. Possible effects of inverse volume corrections are also briefly discussed
Effective long wavelength scalar dynamics in de Sitter
Moss, Ian; Rigopoulos, Gerasimos, E-mail: ian.moss@newcastle.ac.uk, E-mail: gerasimos.rigopoulos@ncl.ac.uk [School of Mathematics and Statistics, Newcastle University, Herschel Building, Newcastle upon Tyne, NE1 7RU U.K. (United Kingdom)
2017-05-01
We discuss the effective infrared theory governing a light scalar's long wavelength dynamics in de Sitter spacetime. We show how the separation of scales around the physical curvature radius k / a ∼ H can be performed consistently with a window function and how short wavelengths can be integrated out in the Schwinger-Keldysh path integral formalism. At leading order, and for time scales Δ t >> H {sup −1}, this results in the well-known Starobinsky stochastic evolution. However, our approach allows for the computation of quantum UV corrections, generating an effective potential on which the stochastic dynamics takes place. The long wavelength stochastic dynamical equations are now second order in time, incorporating temporal scales Δ t ∼ H {sup −1} and resulting in a Kramers equation for the probability distribution—more precisely the Wigner function—in contrast to the more usual Fokker-Planck equation. This feature allows us to non-perturbatively evaluate, within the stochastic formalism, not only expectation values of field correlators, but also the stress-energy tensor of φ.
Dynamical effects in proton breakup from exotic nuclei
Bonaccorso, Angela; Kumar, Ravinder
2012-01-01
This contribution discusses dynamical effects in proton breakup from a weakly bound state in an exotic nucleus on a heavy target. The Coulomb interactions between the proton and the core and the proton and the target are treated to all orders, including also the full multipole expansion of the Coulomb potential. The dynamics of proton Coulomb breakup is compared to that of an equivalent neutron of larger binding energy in order to elucidate the differences with the well understood neutron breakup mechanism. A number of experimentally measurable observables such as parallel momentum distributions, proton angular distributions and total breakup cross sections can be calculated. With respect to nuclear breakup it is found that a proton behaves exactly as a neutron of larger binding energy. The extra “effective energy” is due to the combined core-target Coulomb barrier. In Coulomb breakup we distinguish the effect of the core-target Coulomb potential (called recoil effect), with respect to which the proton behaves again as a more bound neutron, from the direct proton-target Coulomb potential. The latter gives cross sections about an order of magnitude larger than the recoil term. The two effects give rise to complicated interferences in the parallel momentum distributions. They are instead easily separable in the proton angular distributions which are therefore suggested as a very useful observable for future experimental studies.
Loop quantum cosmology of Bianchi IX: effective dynamics
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)
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.
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
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
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.
Dynamic simulation of motion effects in IMAT lung SBRT.
Zou, Wei; Yin, Lingshu; Shen, Jiajian; Corradetti, Michael N; Kirk, Maura; Munbodh, Reshma; Fang, Penny; Jabbour, Salma K; Simone, Charles B; Yue, Ning J; Rengan, Ramesh; Teo, Boon-Keng Kevin
2014-11-01
Intensity modulated arc therapy (IMAT) has been widely adopted for Stereotactic Body Radiotherapy (SBRT) for lung cancer. While treatment dose is optimized and calculated on a static Computed Tomography (CT) image, the effect of the interplay between the target and linac multi-leaf collimator (MLC) motion is not well described and may result in deviations between delivered and planned dose. In this study, we investigated the dosimetric consequences of the inter-play effect on target and organs at risk (OAR) by simulating dynamic dose delivery using dynamic CT datasets. Fifteen stage I non-small cell lung cancer (NSCLC) patients with greater than 10 mm tumor motion treated with SBRT in 4 fractions to a dose of 50 Gy were retrospectively analyzed for this study. Each IMAT plan was initially optimized using two arcs. Simulated dynamic delivery was performed by associating the MLC leaf position, gantry angle and delivered beam monitor units (MUs) for each control point with different respiratory phases of the 4D-CT using machine delivery log files containing time stamps of the control points. Dose maps associated with each phase of the 4D-CT dose were calculated in the treatment planning system and accumulated using deformable image registration onto the exhale phase of the 4D-CT. The original IMAT plans were recalculated on the exhale phase of the CT for comparison with the dynamic simulation. The dose coverage of the PTV showed negligible variation between the static and dynamic simulation. There was less than 1.5% difference in PTV V95% and V90%. The average inter-fraction and cumulative dosimetric effects among all the patients were less than 0.5% for PTV V95% and V90% coverage and 0.8 Gy for the OARs. However, in patients where target is close to the organs, large variations were observed on great vessels and bronchus for as much as 4.9 Gy and 7.8 Gy. Limited variation in target dose coverage and OAR constraints were seen for each SBRT fraction as well as over all
Dynamic Stark broadening as the Dicke narrowing effect
Calisti, A.; Mosse, C.; Ferri, S.; Talin, B.; Rosmej, F.; Bureyeva, L. A.; Lisitsa, V. S.
2010-01-01
A very fast method to account for charged particle dynamics effects in calculations of spectral line shape emitted by plasmas is presented. This method is based on a formulation of the frequency fluctuation model (FFM), which provides an expression of the dynamic line shape as a functional of the static distribution of frequencies. Thus, the main numerical work rests on the calculation of the quasistatic Stark profile. This method for taking into account ion dynamics allows a very fast and accurate calculation of Stark broadening of atomic hydrogen high-n series emission lines. It is not limited to hydrogen spectra. Results on helium-β and Lyman-α lines emitted by argon in microballoon implosion experiment conditions compared with experimental data and simulation results are also presented. The present approach reduces the computer time by more than 2 orders of magnitude as compared with the original FFM with an improvement of the calculation precision, and it opens broad possibilities for its application in spectral line-shape codes.
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.
Dynamical Casimir effect on a cavity with mixed boundary conditions
Alves, Danilo T.; Farina, Carlos; Maia Neto, Paulo Americo
2002-01-01
The most well-known mechanical effect related to the quantum vacuum is the Casimir force between two mirrors at rest. A new effect appears when the mirrors are set to move. In this case, the vacuum field may exert a dissipative force, damping the motion. As a consequence of energy conservation, there will be creation of real particles. If the motion is non-relativistic and has a small amplitude, the dynamical Casimir force can be found via a perturbative method proposed by Ford and Vilenkin. Using their technique, the electromagnetic dynamical Casimir problem, considered when the oscillating cavity is formed by two parallel plates of the same nature (perfectly conducting or perfectly permeable), can be divided into two separated boundary condition problems, namely: one involving Dirichlet BC, related to the transverse electric polarization and the other involving a Neumann BC, related to the transverse magnetic mode. The case of conducting plates can be found in the literature. However, another interesting case, the mixed oscillating cavity where the plates are of different nature, namely, a perfectly conducting plate and a perfectly permeable one (Boyer plates), has not been studied yet. We show that,for this case, the transverse electric models will be related to mixed boundary conditions: Dirichlet-like BC at the conducting plate and Neumann-like BC at the permeable plate. Analogously, the magnetic modes are related to a Neumann BC at the conducting plate and to a Dirichlet BC at the permeable one. As a first step before attacking the three-dimensional electromagnetic problem with mixed BC, we present here a simpler model: a one-dimensional cavity, where a massless scalar field is submitted to mixed (Dirichlet-Neumann) BC. For simplicity, we consider a non-relativistic motion for the conducting wall (Dirichlet BC) and suppose that the perfectly permeable wall (Neumann BC) is at rest. From this model we can extract insights about the dynamical Casimir
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.
Adaptive contact networks change effective disease infectiousness and dynamics.
Van Segbroeck, Sven; Santos, Francisco C; Pacheco, Jorge M
2010-08-19
Human societies are organized in complex webs that are constantly reshaped by a social dynamic which is influenced by the information individuals have about others. Similarly, epidemic spreading may be affected by local information that makes individuals aware of the health status of their social contacts, allowing them to avoid contact with those infected and to remain in touch with the healthy. Here we study disease dynamics in finite populations in which infection occurs along the links of a dynamical contact network whose reshaping may be biased based on each individual's health status. We adopt some of the most widely used epidemiological models, investigating the impact of the reshaping of the contact network on the disease dynamics. We derive analytical results in the limit where network reshaping occurs much faster than disease spreading and demonstrate numerically that this limit extends to a much wider range of time scales than one might anticipate. Specifically, we show that from a population-level description, disease propagation in a quickly adapting network can be formulated equivalently as disease spreading on a well-mixed population but with a rescaled infectiousness. We find that for all models studied here--SI, SIS and SIR--the effective infectiousness of a disease depends on the population size, the number of infected in the population, and the capacity of healthy individuals to sever contacts with the infected. Importantly, we indicate how the use of available information hinders disease progression, either by reducing the average time required to eradicate a disease (in case recovery is possible), or by increasing the average time needed for a disease to spread to the entire population (in case recovery or immunity is impossible).
Effects of parallel electron dynamics on plasma blob transport
Angus, Justin R.; Krasheninnikov, Sergei I. [University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093 (United States); Umansky, Maxim V. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States)
2012-08-15
The 3D effects on sheath connected plasma blobs that result from parallel electron dynamics are studied by allowing for the variation of blob density and potential along the magnetic field line and using collisional Ohm's law to model the parallel current density. The parallel current density from linear sheath theory, typically used in the 2D model, is implemented as parallel boundary conditions. This model includes electrostatic 3D effects, such as resistive drift waves and blob spinning, while retaining all of the fundamental 2D physics of sheath connected plasma blobs. If the growth time of unstable drift waves is comparable to the 2D advection time scale of the blob, then the blob's density gradient will be depleted resulting in a much more diffusive blob with little radial motion. Furthermore, blob profiles that are initially varying along the field line drive the potential to a Boltzmann relation that spins the blob and thereby acts as an addition sink of the 2D potential. Basic dimensionless parameters are presented to estimate the relative importance of these two 3D effects. The deviation of blob dynamics from that predicted by 2D theory in the appropriate limits of these parameters is demonstrated by a direct comparison of 2D and 3D seeded blob simulations.
Effects of microscale inertia on dynamic ductile crack growth
Jacques, N.; Mercier, S.; Molinari, A.
2012-04-01
The aim of this paper is to investigate the role of microscale inertia in dynamic ductile crack growth. A constitutive model for porous solids that accounts for dynamic effects due to void growth is proposed. The model has been implemented in a finite element code and simulations of crack growth in a notched bar and in an edge cracked specimen have been performed. Results are compared to predictions obtained via the Gurson-Tvergaard-Needleman (GTN) model where micro-inertia effects are not accounted for. It is found that microscale inertia has a significant influence on the crack growth. In particular, it is shown that micro-inertia plays an important role during the strain localisation process by impeding void growth. Therefore, the resulting damage accumulation occurs in a more progressive manner. For this reason, simulations based on the proposed modelling exhibit much less mesh sensitivity than those based on the viscoplastic GTN model. Microscale inertia is also found to lead to lower crack speeds. Effects of micro-inertia on fracture toughness are evaluated.
Resonant magnetic perturbation effect on tearing mode dynamics
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.
Development of Dynamic Spent Nuclear Fuel Environmental Effect Analysis Model
Jeong, Chang Joon; Ko, Won Il; Lee, Ho Hee; Cho, Dong Keun; Park, Chang Je
2010-07-01
The dynamic environmental effect evaluation model for spent nuclear fuel has been developed and incorporated into the system dynamic DANESS code. First, the spent nuclear fuel isotope decay model was modeled. Then, the environmental effects were modeled through short-term decay heat model, short-term radioactivity model, and long-term heat load model. By using the developed model, the Korean once-through nuclear fuel cycles was analyzed. The once-through fuel cycle analysis was modeled based on the Korean 'National Energy Basic Plan' up to 2030 and a postulated nuclear demand growth rate until 2150. From the once-through results, it is shown that the nuclear power demand would be ∼70 GWe and the total amount of the spent fuel accumulated by 2150 would be ∼168000 t. If the disposal starts from 2060, the short-term decay heat of Cs-137 and Sr-90 isotopes are W and 1.8x10 6 W in 2100. Also, the total long-term heat load in 2100 will be 4415 MW-y. From the calculation results, it was found that the developed model is very convenient and simple for evaluation of the environmental effect of the spent nuclear fuel
Dynamic ocean-tide effects on Earth's rotation
Dickman, S. R.
1993-01-01
This article develops 'broad-band' Liouville equations which are capable of determining the effects on the rotation of the Earth of a periodic excitation even at frequencies as high as semi-diurnal; these equations are then used to predict the rotational effects of altimetric, numerical and 32-constituent spherical harmonic ocean-tide models. The rotational model includes a frequency-dependent decoupled core, the effects of which are especially marked near retrograde diurnal frequencies; and a fully dynamic oceanic response, whose effects appear to be minor despite significant frequency dependence. The model also includes solid-earth effects which are frequency dependent as the result of both anelasticity at long periods and the fluid-core resonance at nearly diurnal periods. The effects of both tidal inertia and relative angular momentum on Earth rotation (polar motion, length of day, 'nutation' and Universal Time) are presented for 32 long- and short-period ocean tides determined as solutions to the author's spherical harmonic tide theory. The lengthening of the Chandler wobble period by the pole tide is also re-computed using the author's full theory. Additionally, using the spherical harmonic theory, tidal currents and their effects on rotation are determined for available numerical and altimetric tide height models. For all models, we find that the effects of tidal currents are at least as important as those of tide height for diurnal and semi-diurnal constituents.
Dynamic effects of interaction of composite projectiles with targets
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...
Synchronization effects in the dynamical behavior of elevators
Pöschel, Thorsten; Gallas, Jason A. C.
1994-10-01
We simulate the dynamical behavior of M elevators serving N floors of a building in which a Poisson distribution of persons call elevators. Our simulation reproduces the jamming effect typically seen in large buildings when a large number of persons decide to leave the building simultaneously. The collective behavior of the elevators involves characteristics similar to those observed in systems of coupled oscillators. In addition, there is an apparently rule-free critical population density above which elevators start to arrive synchronously at the ground floor.
Dynamic modeling of cost-effectiveness of rotavirus vaccination, Kazakhstan.
Freiesleben de Blasio, Birgitte; 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 vaccine cost at vaccination program costs would be entirely offset. To further evaluate efficacy of a vaccine program, benefits of indirect protection conferred by vaccination warrant further study.
Charge-carrier dynamics and Coulomb effects in semiconductor tetrapods
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
Optical and electrical properties of vanadium-doped GaAs
Ulrici, W.; Friedland, K.
1985-01-01
The results of optical absorption, luminescence, and temperature-dependent Hall-effect measurements on GaAs:V, p-type GaAs:V:Zn, and n-type GaAs:V:Si grown by LEC-technique are reported. It is found that the V/sub Ga//sup 3+/ ground state is located very close to or within the valence band and that the V/sub Ga//sup 2+/ acceptor level is at E/sub c/ - 0.14 eV. The near mid-gap level in GaAs:V responsible for its semi-insulating behaviour is proposed to be due to the complex (V/sub Ga//sup 2+/-X), where the correlation between the photoionization absorption connected with this centre and the EL2 concentration suggests that X is an arsenic vacancy. From this level scheme conditions for growing GaAs:V which is semi-insulating at room temperature are derived. The optical experiments on GaAs:V with different Fermi-level positions confirm the assignment of the triple-peaked absorption band at 1.1 eV to the 3 A 2 → 3 T 1 (F) transition of V/sub Ga//sup 3+/. The weak absorption due to the 3 A 2 → 3 T 2 (F) transition is found at 0.79 eV. The analysis of the temperature dependence of the line shape of the → 3 T 1 (F) absorption band as due to strong dynamical Txtau 2 Jahn-Teller effect provides the JT-parameters E/sub JT/ = 780 cm -1 , h/2ω/sub tau/ = 75 cm -1 , and c = 4.7 eV/nm. The temperature dependent asymmetry of the line shape is explained on the basis of earlier theoretical predictions of the simultaneous action of strong linear and quadratic JT-coupling. (author)
Effect of water table dynamics on land surface hydrologic memory
Lo, Min-Hui; Famiglietti, James S.
2010-11-01
The representation of groundwater dynamics in land surface models has received considerable attention in recent years. Most studies have found that soil moisture increases after adding a groundwater component because of the additional supply of water to the root zone. However, the effect of groundwater on land surface hydrologic memory (persistence) has not been explored thoroughly. In this study we investigate the effect of water table dynamics on National Center for Atmospheric Research Community Land Model hydrologic simulations in terms of land surface hydrologic memory. Unlike soil water or evapotranspiration, results show that land surface hydrologic memory does not always increase after adding a groundwater component. In regions where the water table level is intermediate, land surface hydrologic memory can even decrease, which occurs when soil moisture and capillary rise from groundwater are not in phase with each other. Further, we explore the hypothesis that in addition to atmospheric forcing, groundwater variations may also play an important role in affecting land surface hydrologic memory. Analyses show that feedbacks of groundwater on land surface hydrologic memory can be positive, negative, or neutral, depending on water table dynamics. In regions where the water table is shallow, the damping process of soil moisture variations by groundwater is not significant, and soil moisture variations are mostly controlled by random noise from atmospheric forcing. In contrast, in regions where the water table is very deep, capillary fluxes from groundwater are small, having limited potential to affect soil moisture variations. Therefore, a positive feedback of groundwater to land surface hydrologic memory is observed in a transition zone between deep and shallow water tables, where capillary fluxes act as a buffer by reducing high-frequency soil moisture variations resulting in longer land surface hydrologic memory.
Effects of dynamic agricultural decision making in an ecohydrological model
Reichenau, T. G.; Krimly, T.; Schneider, K.
2012-04-01
Due to various interdependencies between the cycles of water, carbon, nitrogen, and energy the impacts of climate change on ecohydrological systems can only be investigated in an integrative way. Furthermore, the human intervention in the environmental processes makes the system even more complex. On the one hand human impact affects natural systems. On the other hand the changing natural systems have a feedback on human decision making. One of the most important examples for this kind of interaction can be found in the agricultural sector. Management dates (planting, fertilization, harvesting) are chosen based on meteorological conditions and yield expectations. A faster development of crops under a warmer climate causes shorter cropping seasons. The choice of crops depends on their profitability, which is mainly determined by market prizes, the agro-political framework, and the (climate dependent) crop yield. This study investigates these relations for the district Günzburg located in the Upper Danube catchment in southern Germany. The modeling system DANUBIA was used to perform dynamically coupled simulations of plant growth, surface and soil hydrological processes, soil nitrogen transformations, and agricultural decision making. The agro-economic model simulates decisions on management dates (based on meteorological conditions and the crops' development state), on fertilization intensities (based on yield expectations), and on choice of crops (based on profitability). The environmental models included in DANUBIA are to a great extent process based to enable its use in a climate change scenario context. Scenario model runs until 2058 were performed using an IPCC A1B forcing. In consecutive runs, dynamic crop management, dynamic crop selection, and a changing agro-political framework were activated. Effects of these model features on hydrological and ecological variables were analyzed separately by comparing the results to a model run with constant crop
Mutation dynamics and fitness effects followed in single cells.
Robert, Lydia; Ollion, Jean; Robert, Jerome; Song, Xiaohu; Matic, Ivan; Elez, Marina
2018-03-16
Mutations have been investigated for more than a century but remain difficult to observe directly in single cells, which limits the characterization of their dynamics and fitness effects. By combining microfluidics, time-lapse imaging, and a fluorescent tag of the mismatch repair system in Escherichia coli , we visualized the emergence of mutations in single cells, revealing Poissonian dynamics. Concomitantly, we tracked the growth and life span of single cells, accumulating ~20,000 mutations genome-wide over hundreds of generations. This analysis revealed that 1% of mutations were lethal; nonlethal mutations displayed a heavy-tailed distribution of fitness effects and were dominated by quasi-neutral mutations with an average cost of 0.3%. Our approach has enabled the investigation of single-cell individuality in mutation rate, mutation fitness costs, and mutation interactions. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.
On the Effect of Offshore Wind Parks on Ocean Dynamics
Ludewig, E.; Pohlmann, T.
2012-12-01
Nowadays renewable energy resources play a key role in the energy supply discussion and especially an increasingly interest in wind energy induces intensified installations of wind parks. At this offshore wind energy gains in popularity in the course of higher and more consistent energy availability than over land. For example Germany's government adopted a national interurban offshore wind energy program comprising the construction of hundreds of wind turbines within Germany's Exclusive Economic Zone to ensure up to 50% of Germany's renewable energy supply. The large number of installation in coastal regions asks for analyzing the impact of offshore wind parks (OWPs) on the atmosphere and the ocean. As known from literature such wind parks excite also-called wake-effect and such an influence on the wind field in turn affects ocean circulation. To cover OWP's impact on ocean dynamics we evaluate model simulations using the Hamburg Shelf-Ocean-Model (HAMSOM). All simulations were driven with a wind forcing produced by the Mesoscale Atmosphere Model of the Hamburg University (METRAS) which has implemented wind turbines. Wind forcing data were generated in collaboration with and by courtesy of the Meteorological Institute of the University of Hamburg, Department Technical Meteorology, Numeric Modeling-METRAS. To evaluate dynamical changes forced by the OWP's wind wake-effect we did a sensitivity study with a theoretical setup of a virtual ocean of 60m depth with a flat bottom and a temperature and salinity stratification according to common North Sea's conditions. Here our results show that already a small OWP of 12 wind turbines, placed in an area of 4 km^2, lead to a complex change in ocean dynamics. Due to the wake-effect zones of upwelling and downwelling are formed within a minute after turning-on wind turbines. The evolving vertical cells have a size of around 15x15 kilometers with a vertical velocity in order of 10^-2 mm/sec influencing the dynamic of an area
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
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
Impact of dynamic distribution of floc particles on flocculation effect
NAN Jun; HE Weipeng; Song Xinin; LI Guibai
2009-01-01
Polyaluminum chloride (PAC) was used as coagulant and suspended particles in kaolin water. Online instruments including turbidimeter and particle counter were used to monitor the flocculation process. An evaluation model for demonstrating the impact on the flocculation effect was established based on the multiple linear regression analysis method. The parameter of the index weight of channels quantitatively described how the variation of floc particle population in different size ranges cause the decrement of turbidity. The study showed that the floc particles in different size ranges contributed differently to the decrement of turbidity and that the index weight of channel could excellently indicate the impact degree of floc particles dynamic distribution on flocculation effect. Therefore, the parameter may significantly benefit the development of coagulation and sedimentation techniques as well as the optimal coagulant selection.
Connectivity effects in the dynamic model of neural networks
Choi, J; Choi, M Y; Yoon, B-G
2009-01-01
We study, via extensive Monte Carlo calculations, the effects of connectivity in the dynamic model of neural networks, to observe that the Mattis-state order parameter increases with the number of coupled neurons. Such effects appear more pronounced when the average number of connections is increased by introducing shortcuts in the network. In particular, the power spectra of the order parameter at stationarity are found to exhibit power-law behavior, depending on how the average number of connections is increased. The cluster size distribution of the 'memory-unmatched' sites also follows a power law and possesses strong correlations with the power spectra. It is further observed that the distribution of waiting times for neuron firing fits roughly to a power law, again depending on how neuronal connections are increased
Impact of dynamic distribution of floc particles on flocculation effect.
Nan, Jun; He, Weipeng; Song, Xinin; Li, Guibai
2009-01-01
Polyaluminum chloride (PAC) was used as coagulant and suspended particles in kaolin water. Online instruments including turbidimeter and particle counter were used to monitor the flocculation process. An evaluation model for demonstrating the impact on the flocculation effect was established based on the multiple linear regression analysis method. The parameter of the index weight of channels quantitatively described how the variation of floc particle population in different size ranges cause the decrement of turbidity. The study showed that the floc particles in different size ranges contributed differently to the decrease of turbidity and that the index weight of channel could excellently indicate the impact degree of floc particles dynamic distribution on flocculation effect. Therefore, the parameter may significantly benefit the development of coagulation and sedimentation techniques as well as the optimal coagulant selection.
Mechanisms of spin-flipping and metal-insulator transition in nano-Fe3O4
Dito Fauzi, Angga; Aziz Majidi, Muhammad; Rusydi, Andrivo
2017-04-01
Fe3O4 is a half-metallic ferrimagnet with {{T}\\text{C}}˜ 860 K exhibiting metal-insulator transition (MIT) at ˜120 K. In bulk form, the saturation magnetization is 0.6 Tesla (˜471 emu cm-3). A recent experimental study has shown that the saturation magnetization of nano-Fe3O4 thin films can achieve up to ˜760 emu cm-3, attributed to spin-flipping of Fe ions at tetrahedral sites assisted by oxygen vacancies (V O). Such a system has shown to have higher MIT temperature (˜150 K). The spin-flipping is a new phenomenon in Fe3O4, while the MIT is a long-standing one. Here, we propose a model and calculations to investigate the mechanisms of both phenomena. Our results show that, for the system without V O, the ferrimagnetic configuration is energetically favorable. Remakably, upon inclusion of V O, the ground-state configuration switches into ferromagnetic. As for the MIT, by proposing temperature dependences of some hopping integrals in the model, we demonstrate that the system without and with V O undergo the MIT in slightly different ways, leading to higher MIT temperature for the system with V O, in agreement with the experimental data. Our results also show that the MIT in both systems occur concomitantly with the redistribution of electrons among the three Fe ions in each Fe3O4 formula unit. As such temperature dependences of hopping integrals may arise due to dynamic Jahn-Teller effects, our phenomenological theory may provide a way to reconcile existing theories relating the MIT to the structural transition and the charge ordering.
Generalized Models from Beta(p, 2) Densities with Strong Allee Effect: Dynamical Approach
Aleixo, Sandra M.; Rocha, J. Leonel
2012-01-01
A dynamical approach to study the behaviour of generalized populational growth models from Beta(p, 2) densities, with strong Allee effect, is presented. The dynamical analysis of the respective unimodal maps is performed using symbolic dynamics techniques. The complexity of the correspondent discrete dynamical systems is measured in terms of topological entropy. Different populational dynamics regimes are obtained when the intrinsic growth rates are modified: extinction, bistability, chaotic ...
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.
Characteristic dynamics near two coalescing eigenvalues incorporating continuum threshold effects
Garmon, Savannah; Ordonez, Gonzalo
2017-06-01
It has been reported in the literature that the survival probability P(t) near an exceptional point where two eigenstates coalesce should generally exhibit an evolution P (t ) ˜t2e-Γ t, in which Γ is the decay rate of the coalesced eigenstate; this has been verified in a microwave billiard experiment [B. Dietz et al., Phys. Rev. E 75, 027201 (2007)]. However, the heuristic effective Hamiltonian that is usually employed to obtain this result ignores the possible influence of the continuum threshold on the dynamics. By contrast, in this work we employ an analytical approach starting from the microscopic Hamiltonian representing two simple models in order to show that the continuum threshold has a strong influence on the dynamics near exceptional points in a variety of circumstances. To report our results, we divide the exceptional points in Hermitian open quantum systems into two cases: at an EP2A two virtual bound states coalesce before forming a resonance, anti-resonance pair with complex conjugate eigenvalues, while at an EP2B two resonances coalesce before forming two different resonances. For the EP2B, which is the case studied in the microwave billiard experiment, we verify that the survival probability exhibits the previously reported modified exponential decay on intermediate time scales, but this is replaced with an inverse power law on very long time scales. Meanwhile, for the EP2A the influence from the continuum threshold is so strong that the evolution is non-exponential on all time scales and the heuristic approach fails completely. When the EP2A appears very near the threshold, we obtain the novel evolution P (t ) ˜1 -C1√{t } on intermediate time scales, while further away the parabolic decay (Zeno dynamics) on short time scales is enhanced.
Global Dynamics of Avian Influenza Epidemic Models with Psychological Effect
Sanhong Liu
2015-01-01
Full Text Available Cross-sectional surveys conducted in Thailand and China after the outbreaks of the avian influenza A H5N1 and H7N9 viruses show a high degree of awareness of human avian influenza in both urban and rural populations, a higher level of proper hygienic practice among urban residents, and in particular a dramatically reduced number of visits to live markets in urban population after the influenza A H7N9 outbreak in China in 2013. In this paper, taking into account the psychological effect toward avian influenza in the human population, a bird-to-human transmission model in which the avian population exhibits saturation effect is constructed. The dynamical behavior of the model is studied by using the basic reproduction number. The results demonstrate that the saturation effect within avian population and the psychological effect in human population cannot change the stability of equilibria but can affect the number of infected humans if the disease is prevalent. Numerical simulations are given to support the theoretical results and sensitivity analyses of the basic reproduction number in terms of model parameters that are performed to seek for effective control measures for avian influenza.
Global dynamics of avian influenza epidemic models with psychological effect.
Liu, Sanhong; Pang, Liuyong; Ruan, Shigui; Zhang, Xinan
2015-01-01
Cross-sectional surveys conducted in Thailand and China after the outbreaks of the avian influenza A H5N1 and H7N9 viruses show a high degree of awareness of human avian influenza in both urban and rural populations, a higher level of proper hygienic practice among urban residents, and in particular a dramatically reduced number of visits to live markets in urban population after the influenza A H7N9 outbreak in China in 2013. In this paper, taking into account the psychological effect toward avian influenza in the human population, a bird-to-human transmission model in which the avian population exhibits saturation effect is constructed. The dynamical behavior of the model is studied by using the basic reproduction number. The results demonstrate that the saturation effect within avian population and the psychological effect in human population cannot change the stability of equilibria but can affect the number of infected humans if the disease is prevalent. Numerical simulations are given to support the theoretical results and sensitivity analyses of the basic reproduction number in terms of model parameters that are performed to seek for effective control measures for avian influenza.
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...
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.
Effects of random noise in a dynamical model of love
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.
Effects of random noise in a dynamical model of love
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.
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...
Effect of third-order aberrations on dynamic accommodation.
López-Gil, Norberto; Rucker, Frances J; Stark, Lawrence R; Badar, Mustanser; Borgovan, Theodore; Burke, Sean; Kruger, Philip B
2007-03-01
We investigate the potential for the third-order aberrations coma and trefoil to provide a signed cue to accommodation. It is first demonstrated theoretically (with some assumptions) that the point spread function is insensitive to the sign of spherical defocus in the presence of odd-order aberrations. In an experimental investigation, the accommodation response to a sinusoidal change in vergence (1-3D, 0.2Hz) of a monochromatic stimulus was obtained with a dynamic infrared optometer. Measurements were obtained in 10 young visually normal individuals with and without custom contact lenses that induced low and high values of r.m.s. trefoil (0.25, 1.03 microm) and coma (0.34, 0.94 microm). Despite variation between subjects, we did not find any statistically significant increase or decrease in the accommodative gain for low levels of trefoil and coma, although effects approached or reached significance for the high levels of trefoil and coma. Theoretical and experimental results indicate that the presence of Zernike third-order aberrations on the eye does not seem to play a crucial role in the dynamics of the accommodation response.
The Dynamic Characteristic and Hysteresis Effect of an Air Spring
Löcken, F.; Welsch, M.
2015-02-01
In many applications of vibration technology, especially in chassis, air springs present a common alternative to steel spring concepts. A design-independent and therefore universal approach is presented to describe the dynamic characteristic of such springs. Differential and constitutive equations based on energy balances of the enclosed volume and the mountings are given to describe the nonlinear and dynamic characteristics. Therefore all parameters can be estimated directly from physical and geometrical properties, without parameter fitting. The numerically solved equations fit very well to measurements of a passenger car air spring. In a second step a simplification of this model leads to a pure mechanical equation. While in principle the same parameters are used, just an empirical correction of the effective heat transfer coefficient is needed to handle some simplification on this topic. Finally, a linearization of this equation leads to an analogous mechanical model that can be assembled from two common spring- and one dashpot elements in a specific arrangement. This transfer into "mechanical language" enables a system description with a simple force-displacement law and a consideration of the nonobvious hysteresis and stiffness increase of an air spring from a mechanical point of view.
On the dynamical Casimir effect in 1 + 1 dimensions
Alves, D.T.; Farina, C.; Maia Neto, P.A.; Tort, A.C.
2000-01-01
Full text follows: Vacuum field fluctuations exert radiation pressure on boundaries placed in empty space. If we take only one boundary at rest in vacuum, the total pressure exerted by the vacuum on the boundary is null. For two boundaries at rest in vacuum there is a net pressure exerted on the boundaries known as the Casimir effect. It has also been recognized that the dynamical counterparts of this static force appear for moving boundaries. In the dynamical case the existence of a net vacuum radiation pressure does not require the presence of two boundaries as in static case. Vacuum pressure already exists for a single boundary moving with a nonuniform acceleration. For that type of motion, the field does not remain in the vacuum state, but the quanta of the field are produced through nonadiabatic processes. In 1982 Ford and Vilenkin developed a perturbation method based on the static solution to calculate in first approximation the vacuum pressure exerted on a non-relativistic moving boundary. Using the method of Ford-Vilenkin we compute in the two dimensional quantum theory of a real massless scalar field the pressure exerted by the vacuum on a perfectly reflecting boundary moving with nonuniform acceleration around the coordinate x = 0 , having another boundary fixed at x = L. This simple model can provide insight into more sophisticated processes, such as photon production by moving mirrors and particle production in cosmological models and exploding black holes. (author)
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
Effects of Gas Dynamics on Rapidly Collapsing Bubbles
Bauman, Spenser; Fomitchev-Zamilov, Max
2013-01-01
The dynamics of rapidly collapsing bubbles are of great interest due to the high degree of energy focusing that occurs withing the bubble. Molecular dynamics provides a way to model the interior of the bubble and couple the gas dynamics with the equations governing the bubble wall. While much theoretical work has been done to understand how a bubble will respond to an external force, the internal dynamics of the gas system are usually simplified greatly in such treatments. This paper shows ho...
Effect of the CTL proliferation program on virus dynamics
Wodarz, Dominik; Thomsen, Allan Randrup
2005-01-01
Experiments have established that CTLs do not require continuous antigenic stimulation for expansion. Instead, responses develop by a process of programmed proliferation which involves approximately 7-10 antigen-independent cell divisions, the generation of effector cells and the differentiation...... virus loads and thus acute symptoms. The reason is that the programmed divisions are independent from antigenic stimulation, and an increase in virus load does not speed up the rate of CTL expansion. We hypothesize that the 7-10 programmed divisions observed in vivo represent an optimal solution...... into memory cells. The effect of this program on the infection dynamics and the advantages gained by the program have, however, not been explored yet. We investigate this with mathematical models. We find that more programmed divisions can make virus clearance more efficient because CTL division continues...
Dynamic behavior of a multi-effect sugar concentrator system
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
Illuminating the Effects of Dynamic Lighting on Student Learning
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.
The Effective Chiral Lagrangian for a Light Dynamical "Higgs Particle"
Alonso, R.; Merlo, L.; Rigolin, S.; Yepes, J.
2013-01-01
We generalize the basis of CP-even chiral effective operators describing a dynamical Higgs sector, to the case in which the Higgs-like particle is light. Gauge and gauge-Higgs operators are considered up to mass dimension five. This analysis completes the tool needed to explore at leading order the connection between linear realizations of the electroweak symmetry breaking mechanism - whose extreme case is the Standard Model - and non-linear realizations with a light Higgs-like particle present. It may also provide a model-independent guideline to explore which exotic gauge-Higgs couplings may be expected, and their relative strength to Higgsless observable amplitudes. With respect to fermions, the analysis is reduced by nature to the consideration of those flavour-conserving operators that can be written in terms of pure-gauge or gauge-Higgs ones via the equations of motion, but for the standard Yukawa-type couplings.
Effects of wigglers and undulators on beam dynamics
Smith, L.
1986-08-01
Synchrotron light facilities are making ever increasing use of wigglers and undulators, to the extent that these devices are becoming a significant part of the beam optical system of the storage ring itself. This paper presents a theoretical formulation for investigating the effect of wigglers and undulators on beam dynamics in the approximation that the wiggler parameter, K, divided by γ is a small number and that the number of wiggler periods in one device is large. In addition to the linear forces which must be taken into account when tuning and matching the ring, nonlinear stop bends are created, with even orders more serious than odd orders. Some numerical examples are given for devices similar to those proposed for the 1-2 GeV Synchrotron Radiation Source at Lawrence Berkeley Laboratory
Effects of dynamic aspects on fusion excitation functions
Hassan, G.S.
2008-01-01
As an extension of the macroscopic theory, the nucleus- nucleus fusion has been described in terms of the chaotic regime dynamics (liquid drop potential energy plus one body dissipation).Three milestone configurations are attended : the touching , the conditional saddle point and the unconditional saddle one. We would like to deduce the associated extra push and extra-extra push energy values required to carry the system between these configurations, respectively. The next step is to light on the effect of these limiting values on the fusion excitation functions and their significance for accurate fitting of the measured functions for larger values of the angular momentum. It is found that there is a limiting values of excitation energy and angular momentum for each interacting pair, over which these aspects must be considered to fit the excitation functions of different nucleus nucleus fusion .These values were found to be in relation with the limiting angular momentum for fusion in major cases
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
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
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
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.
Electromagnetic effects on dynamics of high-beta filamentary structures
Lee, Wonjae; Krasheninnikov, Sergei I., E-mail: skrash@mae.ucsd.edu [University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093 (United States); Umansky, Maxim V. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States); Angus, J. R. [Naval Research Laboratory, 4555 Overlook Avenue, Washington, DC 20375 (United States)
2015-01-15
The impacts of the electromagnetic effects on blob dynamics are considered. Electromagnetic BOUT++ simulations on seeded high-beta blobs demonstrate that inhomogeneity of magnetic curvature or plasma pressure along the filament leads to bending of the blob filaments and the magnetic field lines due to increased propagation time of plasma current (Alfvén time). The bending motion can enhance heat exchange between the plasma facing materials and the inner scrape-off layer (SOL) region. The effects of sheath boundary conditions on the part of the blob away from the boundary are also diminished by the increased Alfvén time. Using linear analysis and BOUT++ simulations, it is found that electromagnetic effects in high temperature and high density plasmas reduce the growth rate of resistive drift wave instability when resistivity drops below a certain value. The blobs temperature decreases in the course of its motion through the SOL and so the blob can switch from the electromagnetic to the electrostatic regime where resistive drift waves become important again.
Bimatoprost Effects on Aqueous Humor Dynamics in Monkeys
David F. Woodward
2010-01-01
Full Text Available The effects of bimatoprost on aqueous humor dynamics were quantified in monkey eyes. Uveoscleral outflow was measured by the anterior chamber perfusion method, using FITC-dextran. Total outflow facility was determined by the two-level constant pressure method. Aqueous flow was measured with a scanning ocular fluorophotometer. Uveoscleral outflow was 0.96±0.19 L min−1 in vehicle-treated eyes and 1.37±0.27 L min−1 (=6; <.05 in eyes that received bimatoprost 0.01% b.i.d. × 5 days. Bimatoprost had no effect on total outflow facility, which was 0.42±0.05 L min−1 at baseline and 0.42±0.04 L min−1 after bimatoprost treatment. Bimatoprost had no significant effect on aqueous humor flow. This study demonstrates that bimatoprost increases uveoscleral outflow but not total outflow facility or aqueous humor flow, indicating that it lowers intraocular pressure in ocular normotensive monkeys by a mechanism that exclusively involves uveoscleral outflow.
AN EFFECTIVE SPAM FILTERING FOR DYNAMIC MAIL MANAGEMENT SYSTEM
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.
Generalized Ford-Vilenkin approach for the dynamical Casimir effect
Rego, Andreson L.C.; Alves, Danilo Teixeira; Alves, Joao Paulo da Silva
2012-01-01
Full text: In the 70s decade the first works investigating the quantum problem of the radiation emitted by moving mirrors in vacuum were published by Moore, DeWitt, Fulling and Davies. This effect, usually named dynamical Casimir effect (DCE). The DCE is also related to several other problems like particle creation in cosmological models and radiation emitted by collapsing black holes, decoherence, entanglement the Unruh effect. The DCE has been subject to experimental investigations: few months ago, Wilson and collaborators have announced the first experimental observation of the DCE. The theory of the DCE has been investigated by many authors, among them Ford and Vilenkin [L.H. Ford and A. Vilenkin, Phys. Rev. D 25, 2569 (1982)] who developed a perturbative method, which can be applied to moving mirrors in small displacements δq(t) = εF (t) and with nonrelativistic velocities. The usual application of the Ford-Vilenkin approach to the calculation of the spectrum of the created particles, results in the spectral distribution proportional to ε 2 . In the present paper, we consider a real massless scalar field and a moving mirror in a two-dimensional spacetime, satisfying Dirichlet boundary condition at the instantaneous position of the mirror, for large displacements and relativistic velocities. We generalize the Ford-Vilenkin approach to the calculation of the spectral density of the created particles, obtaining formulas for the spectrum up to order ε n . (author)
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.
Dynamical isospin effects in nucleon-induced reactions
Ou Li; Li Zhuxia; Wu Xizhen
2008-01-01
The isospin effects in proton-induced reactions on isotopes of 112-132 Sn and the corresponding β-stable isobars are studied by means of the improved quantum molecular dynamics model and some sensitive probes for the density dependence of the symmetry energy at subnormal densities are proposed. The beam energy range is chosen to be 100-300 MeV. Our study shows that the system size dependence of the reaction cross sections for p+ 112-132 Sn deviates from the Carlson's empirical expression obtained by fitting the reaction cross sections for proton on nuclei along the β-stability line and sensitively depends on the stiffness of the symmetry energy. We also find that the angular distribution of elastic scattering for p+ 132 Sn at large impact parameters is very sensitive to the density dependence of the symmetry energy, which is uniquely due to the effect of the symmetry potential with no mixture of the effect from the isospin dependence of the nucleon-nucleon cross sections. The isospin effects in neutron-induced reactions are also studied and it is found that the effects are just opposite to that in proton-induced reactions. We find that the difference between the peaks of the angular distributions of elastic scattering for p+ 132 Sn and n+ 132 Sn at E p,n =100 MeV and b=7.5 fm is positive for soft symmetry energy U sym sf and negative for super-stiff symmetry energy U sym nlin and close to zero for linear density dependent symmetry energy U sym lin , which seems very useful for constraining the density dependence of the symmetry energy at subnormal densities
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 electrostatic field on dynamic friction coefficient of pistachio
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
Effect of segmental, localized lower limb cooling on dynamic balance.
Montgomery, Roger E; Hartley, Geoffrey L; Tyler, Christopher J; Cheung, Stephen S
2015-01-01
This study aimed to determine the effect of cooling progressively greater portions of the lower extremities on dynamic balance and neuromuscular activation. Ten healthy males (22.8 ± 3.4 yr, 76.5 ± 9.1 kg) performed one room air temperature control (22.4°C ± 0.8°C) and three trials of cold water immersion at 12°C (lateral malleolus, ankle; lateral femoral epicondyle, knee; anterior superior iliac spine, hip) for 10 min before performing a unipedal balance test (Star Excursion Balance Test (SEBT)) with their dominant limb. Muscle activation of the vastus lateralis, biceps femoris, tibialis anterior, and lateral gastrocnemius was measured with surface EMG during the SEBT. Core temperature remained euthermic throughout all trials. Gastrocnemius temperature decreased from control (30.4°C ± 0.5°C) with knee (23.7°C ± 1.7°C) and hip immersion (22.4°C ± 1.0°C), whereas vastus lateralis temperature decreased from control (33.7°C ± 1.7°C) with hip immersion (27.3°C ± 2.0°C) (P water immersion influenced mean anterior and posterior reach distance on the SEBT in a dose-dependent fashion. Compared with those in control, mean anterior and posterior SEBT reach distances were not decreased with ankle (-1.38% and -0.74%, respectively) and knee immersion (-2.48% and -2.74%), whereas hip immersion significantly reduced SEBT by 4.73% and 4.05% (P lower extremities were cooled, with only the lateral gastrocnemius during the anterior SEBT approaching a decrease (P = 0.059). Cooling larger portions of the lower extremities progressively affect dynamic balance, and thermal protection strategies should focus on maintaining temperature in the large muscle mass of the thigh.
Some Fluid Dynamic Effects in Large-Scale MHD Generators
Hunt, J. C.R. [University of Warwick, Coventry (United Kingdom)
1966-10-15
At the present time we are unable to carry out a complete analysis of the fluid dynamics and electrodynamics of an MHD generator. However, various aspects of the behaviour of an MHD generator may be examined by the use of simplified models, for example: (1) one-dimensional gas dynamics (Louis et al. 1964); (2) the current distribution can be found if the velocity is assumed constant across the duct (Witalis, 1965); (3) the skin friction and heat transfer to the walls can be calculated by boundary layer analysis if the flow is assumed to be laminar (Kerrebrock, 1961), and (4) a complete description of the velocity and current distribution across the duct can be given if the flow is assumed to be uniform, laminar, incompressible and not varying in the flow direction (Hunt and Stewartson, 1965). Taken together, these and other models will enable us to describe most of the effects in an MHD generator. In this paper another simplification is considered in which the electromagnetic forces are assumed to be much larger than the inertial forces. The ratio of these two forces is measured by the parameter, S = aB{sup 2}{sub 0}d/pU, where o is the conductivity, B{sub 0} the magnetic field, d the width of the duct, p the density and U the mean velocity. Thus S >> 1. We also assume that the magnetic Reynolds number is very much less than one. In the largest experimental generators now being built S {approx} 2 . Thus, though the results of this model are not immediately applicable, they should indicate the effects of increasing the magnetic field strength and the size of MHD generators. When S >> 1, one can can consider the duct to be divided into 2 regions: (1) a core region where electromagnetic forces are balanced by the pressure gradient and where inertial as well as viscous forces are negligible, and (2) boundary layers on the walls where again inertial forces are negligible but where the viscous, electromagnetic and pressure forces are of the same order. We show how it is
ESF collection effectiveness, a study in fine particle dynamics
Winegardner, W.K.; Owczarski, P.C.
1985-04-01
The characterization and dynamic behavior of fine particles are the main subjects of an ongoing investigation of the particle collection effectiveness of the engineered safety feature (ESF) systems in nuclear power plants. This investigation is part of a larger study of the release of radionuclides to the environment from such plants during postulated accidents that are severe but extremely unlikely. The ESF systems are installed to prevent the occurrence of severe accidents or mitigate their consequences. Several of these engineered systems can serve as particle collection devices. This report focuses on the analytical models that were developed to predict particle behavior in two systems that were not specifically designed for particle retention: the ice compartments of ice condenser containment systems in Pressurized Water Reactors (PWRs) and the suppression pools of Boiling Water Reactors (BWRs). The following section summarizes the topics considered in the development of models and computer codes for estimating the particle retention effectiveness of these two ESF systems. After the summary this paper describes the two ESF systems in more detail and discusses the behavior of particles in both situations
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
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
The stochastic system approach for estimating dynamic treatments effect.
Commenges, Daniel; Gégout-Petit, Anne
2015-10-01
The problem of assessing the effect of a treatment on a marker in observational studies raises the difficulty that attribution of the treatment may depend on the observed marker values. As an example, we focus on the analysis of the effect of a HAART on CD4 counts, where attribution of the treatment may depend on the observed marker values. This problem has been treated using marginal structural models relying on the counterfactual/potential response formalism. Another approach to causality is based on dynamical models, and causal influence has been formalized in the framework of the Doob-Meyer decomposition of stochastic processes. Causal inference however needs assumptions that we detail in this paper and we call this approach to causality the "stochastic system" approach. First we treat this problem in discrete time, then in continuous time. This approach allows incorporating biological knowledge naturally. When working in continuous time, the mechanistic approach involves distinguishing the model for the system and the model for the observations. Indeed, biological systems live in continuous time, and mechanisms can be expressed in the form of a system of differential equations, while observations are taken at discrete times. Inference in mechanistic models is challenging, particularly from a numerical point of view, but these models can yield much richer and reliable results.
The effects of solidification on sill propagation dynamics and morphology
Chanceaux, L.; Menand, T.
2016-05-01
Sills are an integral part of the formation and development of larger plutons and magma reservoirs. Thus sills are essential for both the transport and the storage of magma in the Earth's crust. However, although cooling and solidification are central to magmatism, their effects on sills have been so far poorly studied. Here, the effects of solidification on sill propagation dynamics and morphology are studied by means of analogue laboratory experiments. Hot fluid vegetable oil (magma analogue), that solidifies during its propagation, is injected as a sill in a colder layered gelatine solid (elastic host rock analogue). The injection flux and temperature are maintained constant during an experiment and systematically varied between each experiment, in order to vary and quantify the amount of solidification between each experiments. The oil is injected directly at the interface between the two gelatine layers. When solidification effects are small (high injection temperatures and fluxes), the propagation is continuous and the sill has a regular and smooth surface. Inversely, when solidification effects are important (low injection temperatures and fluxes), sill propagation is discontinuous and occurs by steps of surface-area creation interspersed with periods of momentary arrest. The morphology of these sills displays folds, ropy structures on their surface, and lobes with imprints of the leading fronts that correspond to each step of area creation. These experiments show that for a given, constant injected volume, as solidification effects increase, the area of the sills decreases, their thickness increases, and the number of propagation steps increases. These results have various geological and geophysical implications. The morphology of sills, such as lobate structures (interpretation of 3D seismic studies in sedimentary basin) and ropy flow structures (field observations) can be related to solidification during emplacement. Moreover, a non-continuous morphology
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.
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.
Effects of heterogeneous convergence rate on consensus in opinion dynamics
Huang, Changwei; Dai, Qionglin; Han, Wenchen; Feng, Yuee; Cheng, Hongyan; Li, Haihong
2018-06-01
The Deffuant model has attracted much attention in the study of opinion dynamics. Here, we propose a modified version by introducing into the model a heterogeneous convergence rate which is dependent on the opinion difference between interacting agents and a tunable parameter κ. We study the effects of heterogeneous convergence rate on consensus by investigating the probability of complete consensus, the size of the largest opinion cluster, the number of opinion clusters, and the relaxation time. We find that the decrease of the convergence rate is favorable to decreasing the confidence threshold for the population to always reach complete consensus, and there exists optimal κ resulting in the minimal bounded confidence threshold. Moreover, we find that there exists a window before the threshold of confidence in which complete consensus may be reached with a nonzero probability when κ is not too large. We also find that, within a certain confidence range, decreasing the convergence rate will reduce the relaxation time, which is somewhat counterintuitive.
Effects of Energetic Ion Outflow on Magnetospheric Dynamics
Kistler, L. M.; Mouikis, C.; Lund, E. J.; Menz, A.; Nowrouzi, N.
2016-12-01
There are two dominant regions of energetic ion outflow: the nightside auroral region and the dayside cusp. Processes in these regions can accelerate ions up to keV energies. Outflow from the nightside has direct access to the plasma sheet, while outflow from the cusp is convected over the polar cap and into the lobes. The cusp population can enter the plasma sheet from the lobe, with higher energy ions entering further down the tail than lower energy ions. During storm times, the O+ enhanced plasma sheet population is convected into the inner magnetosphere. The plasma that does not get trapped in the inner magnetosphere convects to the magnetopause where reconnection is taking place. An enhanced O+ population can change the plasma mass density, which may have the effect of decreasing the reconnection rate. In addition O+ has a larger gyroradius than H+ at the same velocity or energy. Because of this, there are larger regions where the O+ is demagnetized, which can lead to larger acceleration because the O+ can move farther in the direction of the electric field. In this talk we will review results from Cluster, Van Allen Probes, and MMS, on how outflow from the two locations affects magnetospheric dynamics. We will discuss whether enhanced O+ from either population has an effect on the reconnection rate in the tail or at the magnetopause. We will discuss how the two populations impact the inner magnetosphere during storm times. And finally, we will discuss whether either population plays a role in triggering substorms, particularly during sawtooth events.
The dynamics of maternal-effect selfish genetic elements.
Smith, N G
1998-03-21
Maternal-effect selfish genes such as Medea or Scat act to kill progeny that do not bear a copy of the selfish gene present in the mother. Previous models of this system allowed for two types of allele, the selfish (killer) type and the sensitive (susceptible) wild-type. These models predict that the invasion conditions of the selfish allele are quite broad and that if invasion is possible a high frequency equilibrium is to be expected. The selfish element is therefore predicted to persist. Here a hypothetical third allele that neither kills nor is killed (i.e. insensitive) is considered. Such an allele could enter a population by recombination, mutation or migration. The incorporation of this third allele profoundly affects the dynamics of the system and, under some parameter values, it is possible for the spread of the insensitive allele to lead, eventually, to the fixation of the wild-type allele (reversible evolution). This is most likely if the death of progeny provides no direct benefit to the surviving sibs (i.e. in the absence of fitness compensation), as in insects without gregarious broods. Under these circumstances the selfish element cannot spread when infinitely rare, only after having risen to some finite frequency. A fitness cost to bearing the killer allele then causes its loss. However, if fitness compensation is found (e.g. in placental mammals) the invasion of the selfish element from an infinitely low level is possible for a wide range of costs and both stable coexistences of all three alleles and limit cycles of all three are then found. It is therefore to be expected that in mammals selfish maternal-effect genes are more likely both to spread and to persist than in insects, due to their different levels of fitness compensation.
Dynamic effect in ultrasonic assisted micro-upsetting
Presz, Wojciech
2018-05-01
The use of ultrasonic assistance in microforming is becoming more and more popular. Mainly due to the beneficial effect of vibrations on the flow of plastic deformation reported already in the 50s of the last century. The influence is of two types: surface and volume. The surface effect is mainly the reduction of friction forces, and volumetric is the impact on the dislocation movement and even on phase transitions. The work focuses on the dynamic aspect of vibration assisted microforming. The use of ultrasonic vibrations at a frequency of 20 kHz and an amplitude of 16 µm, in the micro-upsetting process of an aluminum sample resulted in a high concentration of strain on both ends of the sample - at 14% of the height on both sides. There was observed (in relation to deformations of the sample without vibrations) 150-250% increase and a 50% decrease in strain in the center of the sample. At the same time, the larger deformations occurred from the impact side of the punch. Analyzing the course of forces of the upsetting process in the loading and unloading phase as well as the process of breaking glass samples, the spring deflections of key system elements and their natural frequencies were determined or calculated. Based on the determined or calculated parameters of the test stand, it was shown that during the micro-upsetting process the punch may detach from the sample surface and this is the main reason for the phenomena occurring. Detach of the punch is also the cause of the observed instability of the measurement of force, which should be considered unbelievable in such a situation.
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
Effect of surface modification and hybridization on dynamic ...
Epoxy; Roystonea regia; glass; surface modification; hybridization; dynamic mechanical ... other advantages such as light weight, low cost, high specific ... ful technique to study the mechanical behaviour of mate- ... The test reveals response.
Missing cycles: Effect of climate change on population dynamics
population dynamics of the larch budmoth – an insect pest which causes massive defoliation of entire larch forests ... hypothesized that global warming has led to the collapse of the cycles ... When temperatures increase after winter, and the.
Behaviour of steel arch supports under dynamic effects of rockbursts
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
Finite size effects in lattice QCD with dynamical Wilson fermions
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
Effects of outer perturbances on dynamics of wake vortices
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
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…
Preliminary study of insertion device effect on dynamic aperture using RACETRACK
Chae, Yong-chul; Crosbie, E.A.
1992-01-01
We studied the effects of an insertion device (ID) on the dynamic aperture using the new version of RACETRACK. We found that the nonlinear effect of the ID is the dominant effect on the dynamic aperture reduction compared to the other multipole errors which exist in the otherwise ideal lattice. The previous study of dynamic aperture was based on the assumption that the effect of the fast oscillating terms in L. Smith's Hamiltonian is small, and hence can be neglected in the simulation. The remarkable agreement between the previous study and the current results using RACETRACK, including all effects of the fast oscillating terms, justified those assumptions at least for the APS ring
Bittracher, Andreas; Koltai, Péter; Klus, Stefan; Banisch, Ralf; Dellnitz, Michael; Schütte, Christof
2018-01-01
We consider complex dynamical systems showing metastable behavior, but no local separation of fast and slow time scales. The article raises the question of whether such systems exhibit a low-dimensional manifold supporting its effective dynamics. For answering this question, we aim at finding nonlinear coordinates, called reaction coordinates, such that the projection of the dynamics onto these coordinates preserves the dominant time scales of the dynamics. We show that, based on a specific reducibility property, the existence of good low-dimensional reaction coordinates preserving the dominant time scales is guaranteed. Based on this theoretical framework, we develop and test a novel numerical approach for computing good reaction coordinates. The proposed algorithmic approach is fully local and thus not prone to the curse of dimension with respect to the state space of the dynamics. Hence, it is a promising method for data-based model reduction of complex dynamical systems such as molecular dynamics.
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.
The effect of pure state structure on nonequilibrium dynamics
Newman, C M; Stein, D L
2008-01-01
Motivated by short-range Ising spin glasses, we review some rigorous results and their consequences for the relation between the number/nature of equilibrium pure states and nonequilibrium dynamics. Two of the consequences for spin glass dynamics following an instantaneous deep quench to a temperature with broken spin flip symmetry are: (1) almost all initial configurations lie on the boundary between the basins of attraction of multiple pure states; (2) unless there are uncountably many pure states with almost all pairs having zero overlap, there can be no equilibration to a pure state as time t → ∞. We discuss the relevance of these results to the difficulty of equilibration of spin glasses. We also review some results concerning the 'nature versus nurture' problem of whether the large-t behavior of both ferromagnets and spin glasses following a deep quench is determined more by the initial configuration (nature) or by the dynamics realization (nurture)
High effective inverse dynamics modelling for dual-arm robot
Shen, Haoyu; Liu, Yanli; Wu, Hongtao
2018-05-01
To deal with the problem of inverse dynamics modelling for dual arm robot, a recursive inverse dynamics modelling method based on decoupled natural orthogonal complement is presented. In this model, the concepts and methods of Decoupled Natural Orthogonal Complement matrices are used to eliminate the constraint forces in the Newton-Euler kinematic equations, and the screws is used to express the kinematic and dynamics variables. On this basis, the paper has developed a special simulation program with symbol software of Mathematica and conducted a simulation research on the a dual-arm robot. Simulation results show that the proposed method based on decoupled natural orthogonal complement can save an enormous amount of CPU time that was spent in computing compared with the recursive Newton-Euler kinematic equations and the results is correct and reasonable, which can verify the reliability and efficiency of the method.
Effect of supercritical water shell on cavitation bubble dynamics
Shao Wei-Hang; Chen Wei-Zhong
2015-01-01
Based on reported experimental data, a new model for single cavitation bubble dynamics is proposed considering a supercritical water (SCW) shell surrounding the bubble. Theoretical investigations show that the SCW shell apparently slows down the oscillation of the bubble and cools the gas temperature inside the collapsing bubble. Furthermore, the model is simplified to a Rayleigh–Plesset-like equation for a thin SCW shell. The dependence of the bubble dynamics on the thickness and density of the SCW shell is studied. The results show the bubble dynamics depends on the thickness but is insensitive to the density of the SCW shell. The thicker the SCW shell is, the smaller are the wall velocity and the gas temperature in the bubble. In the authors’ opinion, the SCW shell works as a buffering agent. In collapsing, it is compressed to absorb a good deal of the work transformed into the bubble internal energy during bubble collapse so that it weakens the bubble oscillations. (paper)
Dynamics of the anaerobic process: Effects of volatile fatty acids
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...... 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....
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.
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
Koyanagi, Ryoichi
1984-01-01
Many piping systems are supported by flexible structures or attached to thin shell walls so it is very important to consider the dynamic coupling effects between these systems in dynamic analysis. This paper presents a practical method of dynamic analysis of an individual system considering the dynamic coupling effects of coupled equipment-piping systems. In this method, dynamic responses are calculated by using the modal information which is obtained from the other analysis for associative structure. Analytical results for the complete model and of this method for an individual system are presented in the piping-supporting structure system and a piping-shell system. From the comparison of these results, it shows that this method is accurate, useful and economically applicable to the dynamic analysis of large model. (author)
The effect of dynamical quark mass on the calculation of a strange quark star's structure
Gholam Hossein Bordbar; Babak Ziaei
2012-01-01
We discuss the dynamical behavior of strange quark matter components,in particular the effects of density dependent quark mass on the equation of state of strange quark matter.The dynamical masses of quarks are computed within the Nambu-Jona-Lasinio model,then we perform strange quark matter calculations employing the MIT bag model with these dynamical masses.For the sake of comparing dynamical mass interaction with QCD quark-quark interaction,we consider the one-gluon-exchange term as the effective interaction between quarks for the MIT bag model.Our dynamical approach illustrates an improvement in the obtained equation of state values.We also investigate the structure of the strange quark star using TolmanOppenheimer-Volkoff equations for all applied models.Our results show that dynamical mass interaction leads to lower values for gravitational mass.
Aeroelastic modal dynamics of wind turbines including anisotropic effects
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
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
Robust dynamical effects in traffic and chaotic maps on trees
Discrete-time diffusion processes on complex networks are modeled by a dynam- ... Scale-free tree of N = 1000 nodes used in the simulations. Shown .... defined as the time interval ∆t between two successive events at the same node.
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
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 an invasive plant on population dynamics in toads.
Greenberg, Daniel A; Green, David M
2013-10-01
When populations decline in response to unfavorable environmental change, the dynamics of their population growth shift. In populations that normally exhibit high levels of variation in recruitment and abundance, as do many amphibians, declines may be difficult to identify from natural fluctuations in abundance. However, the onset of declines may be evident from changes in population growth rate in sufficiently long time series of population data. With data from 23 years of study of a population of Fowler's toad (Anaxyrus [ = Bufo] fowleri) at Long Point, Ontario (1989-2011), we sought to identify such a shift in dynamics. We tested for trends in abundance to detect a change point in population dynamics and then tested among competing population models to identify associated intrinsic and extrinsic factors. The most informative models of population growth included terms for toad abundance and the extent of an invasive marsh plant, the common reed (Phragmites australis), throughout the toads' marshland breeding areas. Our results showed density-dependent growth in the toad population from 1989 through 2002. After 2002, however, we found progressive population decline in the toads associated with the spread of common reeds and consequent loss of toad breeding habitat. This resulted in reduced recruitment and population growth despite the lack of significant loss of adult habitat. Our results underscore the value of using long-term time series to identify shifts in population dynamics coincident with the advent of population decline. © 2013 Society for Conservation Biology.
Going Green : Framing Effects in a Dynamic Coordination Game
Gerlagh, Reyer; van der Heijden, Eline
2015-01-01
We experimentally study decision-making in a novel dynamic coordination game. The game captures features of a transition between externality networks. Groups consisting of three subjects start in a stable benchmark equilibrium with network externality. Over seven rounds, they can transit to an
Effects of soil mesofauna and microclimate on nitrogen dynamics in ...
Jane
2011-07-13
Jul 13, 2011 ... In this paper, carbon (C) and N dynamics in decomposing. Castanopsis ... between litter wet and dry weights divided by the dry weight and ..... 45. 55. 65. 75. EVB. COF. DWF. ALM sites. M e a n a n n u a. l a ir te m p e ra tu re.
Effect of support conditions on structural response under dynamic loading
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)
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.
Metastable structures and size effects in small group dynamics
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
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....
Li, Junjie [Physics Department, Florida State University, Tallahassee, Florida 32310 (United States); National High Magnetic Field Laboratory, Tallahassee, Florida 32310 (United States); Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973 (United States); Wang, Xuan [Institute of physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100190 (China); Zhou, Haidong [National High Magnetic Field Laboratory, Tallahassee, Florida 32310 (United States); Zhou, Jun; Cao, Jianming, E-mail: jcao@magnet.fsu.edu [Physics Department, Florida State University, Tallahassee, Florida 32310 (United States); National High Magnetic Field Laboratory, Tallahassee, Florida 32310 (United States); Cheng, J. G. [Texas Materials Institute, University of Texas at Austin, Austin, Texas 78712 (United States)
2016-07-25
We report a direct and real time measurement of photoinduced structure phase transition in single crystal La{sub 0.84}Sr{sub 0.16}MnO{sub 3} using femtosecond electron diffraction. The melting of orthorhombic lattice ordering under femtosecond optical excitation is found involving two distinct processes with different time scales, an initial fast melting of orthorhombic phase in about 4 ps and a subsequent slower transformation in 90 ps and longer timescales. The fast process is designated as the initial melting of orthorhombic phase induced by the Mn-O bond change that is most likely driven by the quenching of the dynamic Jahn-Teller distortion following the photo-excitation. The slow process is attributed to the growing of newly formed structure domain from the photo-excited sites to the neighboring non-excited orthorhombic sites.
Nguyen, T. P.; Pham, D. T.; Ngo, K. T.
2018-04-01
Reducing vibration in structures under lateral load always attracts many researchers in during pastime, hence the mainly purpose of paper analyzes effectiveness of multiple-tuned liquid dampers for reducing dynamic responses of structures under ground acceleration of earthquakes. In this study, the multi-tuned liquid damper with slat screens (M-TLDWSS) is considered in detail for analyzing dynamic response of multi-degrees of freedom structure due to earthquake, which is more different previous studies. Then, the general equation of motion of the structure and M-TLDWSS under ground acceleration of earthquake is established based on dynamic balance of principle and solved by numerical method in the time domain. The effects of characteristic parameters of M-TLDWSS on dynamic response of the structure are investigated. The results obtained in this study demonstrate that the M-TLDWSS has significantly effectiveness for reducing dynamic response of the structure.
Morales, Y.; Weber, L.J.; Mynett, A.E.; Newton, T.J.
2006-01-01
A model for simulating freshwater mussel population dynamics is presented. The model is a hydroinformatics tool that integrates principles from ecology, river hydraulics, fluid mechanics and sediment transport, and applies the individual-based modelling approach for simulating population dynamics. The general model layout, data requirements, and steps of the simulation process are discussed. As an illustration, simulation results from an application in a 10 km reach of the Upper Mississippi River are presented. The model was used to investigate the spatial distribution of mussels and the effects of food competition in native unionid mussel communities, and communities infested by Dreissena polymorpha, the zebra mussel. Simulation results were found to be realistic and coincided with data obtained from the literature. These results indicate that the model can be a useful tool for assessing the potential effects of different stressors on long-term population dynamics, and consequently, may improve the current understanding of cause and effect relationships in freshwater mussel communities. ?? 2006 Elsevier B.V. All rights reserved.
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
Analysis of interactive fixed effects dynamic linear panel regression with measurement error
Nayoung Lee; Hyungsik Roger Moon; Martin Weidner
2011-01-01
This paper studies a simple dynamic panel linear regression model with interactive fixed effects in which the variable of interest is measured with error. To estimate the dynamic coefficient, we consider the least-squares minimum distance (LS-MD) estimation method.
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
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…
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.
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.
Effects of stochastic noise on dynamical decoupling procedures
Bernad, Jozsef Zsolt; Frydrych, Holger; Alber, Gernot [Institut fuer Angewandte Physik, Technische Universitaet Darmstadt, D-64289 Darmstadt (Germany)
2013-07-01
Dynamical decoupling is a well-established technique to protect quantum systems from unwanted influences of their environment by exercising active control. It has been used experimentally to drastically increase the lifetime of qubit states in various implementations. The efficiency of different dynamical decoupling schemes defines the lifetime. However, errors in control operations always limit this efficiency. We propose a stochastic model as a possible description of imperfect control pulses and discuss the impact of this kind of error on different decoupling schemes. In the limit of continuous control, i.e. if the number of pulses N → ∞, we derive a stochastic differential equation for the evolution of the density operator of the controlled system and its environment. In the context of this modified time evolution we discuss possibilities of protecting qubit states against environmental noise.
Effect of temperature on the population dynamics of Aedes aegypti
Yusoff, Nuraini; Tokachil, Mohd Najir
2015-10-01
Aedes aegypti is one of the main vectors in the transmission of dengue fever. Its abundance may cause the spread of the disease to be more intense. In the study of its biological life cycle, temperature was found to increase the development rate of each stage of this species and thus, accelerate the process of the development from egg to adult. In this paper, a Lefkovitch matrix model will be used to study the stage-structured population dynamics of Aedes aegypti. In constructing the transition matrix, temperature will be taken into account. As a case study, temperature recorded at the Subang Meteorological Station for year 2006 until 2010 will be used. Population dynamics of Aedes aegypti at maximum, average and minimum temperature for each year will be simulated and compared. It is expected that the higher the temperature, the faster the mosquito will breed. The result will be compared to the number of dengue fever incidences to see their relationship.
Reconciliation of equipment flexibility effects on piping system dynamic response
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)
Spatial effect on stochastic dynamics of bistable evolutionary games
So, Kohaku H Z; Ohtsuki, Hisashi; Kato, Takeo
2014-01-01
We consider the lifetimes of metastable states in bistable evolutionary games (coordination games), and examine how they are affected by spatial structure. A semiclassical approximation based on a path integral method is applied to stochastic evolutionary game dynamics with and without spatial structure, and the lifetimes of the metastable states are evaluated. It is shown that the population dependence of the lifetimes is qualitatively different in these two models. Our result indicates that spatial structure can accelerate the transitions between metastable states. (paper)
Effect of anomalous resistivity on the dynamics of plasma switching
Kingsep, A [Kurchatov Institute, Moscow (Russian Federation); Munier, A [Centre d` Etudes Limeil-Vaneton, Villeneuve St. Georges (France)
1997-12-31
Some of the conditions for electron MHD are recollected, and it is shown how this leads to anomalous resistivity which may play an important role in the dynamics of POS. It has been shown that not only the order of value of the resistance of the plasma-filled diode but rather basic scalings have to be changed in the regime of essential anomalous resistivity. (author). 11 refs.
Convection-diffusion effects in marathon race dynamics
Rodriguez, E.; Espinosa-Paredes, G.; Alvarez-Ramirez, J.
2014-01-01
In the face of the recent terrorist attack event on the 2013 Boston Marathon, the increasing participation of recreational runners in large marathon races has imposed important logistical and safety issues for organizers and city authorities. An accurate understanding of the dynamics of the marathon pack along the race course can provide important insights for improving safety and performance of these events. On the other hand, marathon races can be seen as a model of pedestrian movement under confined conditions. This work used data of the 2011 Chicago Marathon event for modeling the dynamics of the marathon pack from the corral zone to the finish line. By considering the marathon pack as a set of particles moving along the race course, the dynamics are modeled as a convection-diffusion partial differential equation with position-dependent mean velocity and diffusion coefficient. A least-squares problem is posed and solved with optimization techniques for fitting field data from the 2011 Chicago Marathon. It was obtained that the mean pack velocity decreases while the diffusion coefficient increases with distance. This means that the dispersion rate of the initially compact marathon pack increases as the marathon race evolves along the race course.
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.
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.
Experimental Analysis of Dynamic Effects of FRP Reinforced Masonry Vaults
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.
Modeling biofuel expansion effects on land use change dynamics
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)
Effects of Dimerization of Serratia marcescens Endonuclease on Water Dynamics.
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.
Effect of moisture absorption on damping and dynamic stiffness of carbon fiber/epoxy composites
Zai, Behzad Ahmed; Park, M. K.; Mehboob, Hassan; Ali, Rashid [Myongji University, Yongin (Korea, Republic of); Choi, H. S. [Korean Air Daejeon (Korea, Republic of)
2009-11-15
In this paper, the damping and dynamic stiffness of UHN125C carbon fiber/epoxy composite beam was experimentally measured. The effect of fiber orientation angle and stacking sequences on damping, resonance frequency, and dynamic stiffness was discussed with a focus on the effect of moisture absorption. Dried specimens were immersed in distilled water for a certain period to absorb water for 8, 16, and 24 d, respectively, and the moisture content absorbed in the specimen was measured. Furthermore, using the impact hammer technique, the measurements of dynamic responses were conducted on a cantilever beam specimen with one end clamped by bolts and metal plates. The damping properties in terms of loss factor were approximated by half-power bandwidth technique. The dynamic stiffness was evaluated using resonance frequency as a function of moisture content. The damping increased with the increase of moisture content: however, the dynamic stiffness reduced with the reduction of resonance frequency. The results of the dynamic stiffness were aided by measuring the dynamic strain using DBU-120A strain-indicating software. The increment in the dynamic strain strengthened the results obtained for dynamic stiffness
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.
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.
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
Quantum Nuclear Extension of Electron Nuclear Dynamics on Folded Effective-Potential Surfaces
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...
Sun, Sheng; Yin, Guangyao; Lee, Yi-Kuen; Wong, Joseph T.Y.; Zhang, Tong-Yi
2011-01-01
Effects of mechanical properties and thermal motion of POPE lipid membrane on electroporation were studied by molecular dynamics simulations. Among simulations in which specific atoms of lipids were artificially constrained at their equilibrium
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.
Effect of Initial Curvature on the Static and Dynamic Behavior of MEMS Resonators
Hajjaj, Amal Z.; Alcheikh, Nouha; Younis, Mohammad I.
2017-01-01
In this paper, we investigate experimentally and analytically the effect of the initial shape, arc and cosine wave, on the static and dynamic behavior of microelectromechanical (MEMS) resonators. We show that by carefully choosing the geometrical
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.
SIMULAND - A CODE TO ANALYZE DYNAMIC EFFECTS DURING LANDING
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.
Dynamical image-charge effect in molecular tunnel junctions
Jin, Chengjun; Thygesen, Kristian Sommer
2014-01-01
the finite IC formation time affects charge transport through a molecule suspended between two electrodes. For a single-level model, an analytical treatment shows that the conductance is suppressed by a factor Z(2), where Z is the quasiparticle renormalization factor, compared to the static IC approximation...... that the dynamical corrections can reduce the conductance by more than a factor of two when compared to static GW or density functional theory where the molecular energy levels have been shifted to match the exact quasiparticle levels....
Local and global dynamical effects of dark energy
Chernin, A. D.
Local expansion flows of galaxies were discovered by Lemaitre and Hubble in 1927-29 at distances of less than 25-30 Mpc. The global expansion of the Universe as a whole was predicted theoretically by Friedmann in 1922-24 and discovered in the 1990s in observations at truly cosmological distances of more than 1 000 Mpc. On all these spatial scales, the flows follow a (nearly) linear velocity-distance relation, known now as Hubble's law. This similarity of local and global phenomena is due to the universal dark energy antigravity which dominates the cosmic dynamics on both local and global spatial scales.
Uncertain Dynamics, Correlation Effects, and Robust Investment Decisions
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....
Critical Dynamics of Burst Instabilities in the Portevin-Le Chatelier Effect
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.
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.
Effects of material properties on soft contact dynamics
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)
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.
Structural analysis of LaVO3 thin films under epitaxial strain
H. Meley
2018-04-01
Full Text Available Rare earth vanadate perovskites exhibit a phase diagram in which two different types of structural distortions coexist: the strongest, the rotation of the oxygen octahedra, comes from the small tolerance factor of the perovskite cell (t = 0.88 for LaVO3 and the smaller one comes from inter-site d-orbital interactions manifesting as a cooperative Jahn-Teller effect. Epitaxial strain acts on octahedral rotations and crystal field symmetry to alter this complex lattice-orbit coupling. In this study, LaVO3 thin film structures have been investigated by X-ray diffraction and scanning transmission electron microscopy. The analysis shows two different orientations of octahedral tilt patterns, as well as two distinct temperature behaviors, for compressive and tensile film strain states. Ab initio calculations capture the strain effect on the tilt pattern orientation in agreement with experimental data.
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.
Effect of three-body forces on the lattice dynamics of noble metals
A simple method to generate an effective electron–ion interaction pseudopotential from the energy wave number characteristic obtained by ﬁrst principles calculations has been suggested. This effective potential has been used, in third order perturbation, to study the effect of three-body forces on the lattice dynamics of ...
Aeroelastic modal dynamics of wind turbines including anisotropic effects
Skjoldan, Peter Fisker
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......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...... 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...
Effects of dynamic-range compression on temporal acuity
Wiinberg, Alan; Jepsen, Morten Løve; Epp, Bastian
2016-01-01
Some of the challenges that hearing-aid listeners experience with speech perception in complex acoustic environments may originate from limitations in the temporal processing of sounds. To systematically investigate the influence of hearing impairment and hearing-aid signal processing on temporal...... 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...... with the physical compression of the modulation depth due to the WDRC. Indications of reduced temporal resolution in the HI listeners were observed in the TMTF patterns for the 5 kHz carrier. Significantly higher MDD thresholds were found for the HI group relative to the NH group. No relationship was found between...
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.
The effect of grain size on dynamic tensile extrusion behaviour
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 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
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.
Molecular Modeling of Enzyme Dynamics Towards Understanding Solvent Effects
Wedberg, Nils Hejle Rasmus Ingemar
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...... 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...... integration, while for small systems, it seems to be even better. The method is applied to compute the excess Gibbs energy of the mixtures of water and organic solvents used in the simulations of CALB. This allows to determine the water activity of the simulated systems and thus to compare protein properties...
Satiawati, L.; Majidi, M. A.
2017-07-01
A theory of high-energy optical conductivity of La0.7Ca0.3MnO3 has been proposed previously. The proposed theory works to explain the temperature-dependence of the optical conductivity for the photon energy region above ˜0.5 eV for up to ˜22 eV, but fails to capture the correct physics close to the dc limit in which metal-insulator transition occurs. The missing physics at the low energy has been acknowledged as mainly due to not incorporating phonon degree of freedom and electron-phonon interactions. In this study, we aim to complete the above theory by proposing a more complete Hamiltonian incorporating additional terms such as crystal field, two modes of Jahn-Teller vibrations, and coupling between electrons and the two Jahn-Teller vibrational modes. We solve the model by means of dynamical mean-field theory. At this stage, we aim to derive the analytical formulae involved in the calculation, and formulate the algorithmic implementation for the self-consistent calculation process. Our final goal is to compute the density of states and the optical conductivity for the complete photon energy range from 0 to 22 eV at various temperatures, and compare them with the experimental data. We expect that the improved model preserves the correct temperature-dependent physics at high photon energies, as already captured by the previous model, while it would also reveal ferromagnetic metal - paramagnetic insulator transition at the dc limit.
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.
Nonlinear soil parameter effects on dynamic embedment of offshore pipeline on soft clay
Su Young Yu
2015-03-01
Full Text Available In this paper, the effects of nonlinear soft clay on dynamic embedment of offshore pipeline were investigated. Seabed embedment by pipe-soil interactions has impacts on the structural boundary conditions for various subsea structures such as pipeline, riser, pile, and many other systems. A number of studies have been performed to estimate real soil behavior, but their estimation of seabed embedment has not been fully identified and there are still many uncertainties. In this regards, comparison of embedment between field survey and existing empirical models has been performed to identify uncertainties and investigate the effect of nonlinear soil parameter on dynamic embedment. From the comparison, it is found that the dynamic embedment with installation effects based on nonlinear soil model have an influence on seabed embedment. Therefore, the pipe embedment under dynamic condition by nonlinear para- meters of soil models was investigated by Dynamic Embedment Factor (DEF concept, which is defined as the ratio of the dynamic and static embedment of pipeline, in order to overcome the gap between field embedment and currently used empirical and numerical formula. Although DEF through various researches is suggested, its range is too wide and it does not consider dynamic laying effect. It is difficult to find critical parameters that are affecting to the embedment result. Therefore, the study on dynamic embedment factor by soft clay parameters of nonlinear soil model was conducted and the sensitivity analyses about parameters of nonlinear soil model were performed as well. The tendency on dynamic embedment factor was found by conducting numerical analyses using OrcaFlex software. It is found that DEF was influenced by shear strength gradient than other factors. The obtained results will be useful to understand the pipe embedment on soft clay seabed for applying offshore pipeline designs such as on-bottom stability and free span analyses.
Revealing time bunching effect in single-molecule enzyme conformational dynamics.
Lu, H Peter
2011-04-21
In this perspective, we focus our discussion on how the single-molecule spectroscopy and statistical analysis are able to reveal enzyme hidden properties, taking the study of T4 lysozyme as an example. Protein conformational fluctuations and dynamics play a crucial role in biomolecular functions, such as in enzymatic reactions. Single-molecule spectroscopy is a powerful approach to analyze protein conformational dynamics under physiological conditions, providing dynamic perspectives on a molecular-level understanding of protein structure-function mechanisms. Using single-molecule fluorescence spectroscopy, we have probed T4 lysozyme conformational motions under the hydrolysis reaction of a polysaccharide of E. coli B cell walls by monitoring the fluorescence resonant energy transfer (FRET) between a donor-acceptor probe pair tethered to T4 lysozyme domains involving open-close hinge-bending motions. Based on the single-molecule spectroscopic results, molecular dynamics simulation, a random walk model analysis, and a novel 2D statistical correlation analysis, we have revealed a time bunching effect in protein conformational motion dynamics that is critical to enzymatic functions. Bunching effect implies that conformational motion times tend to bunch in a finite and narrow time window. We show that convoluted multiple Poisson rate processes give rise to the bunching effect in the enzymatic reaction dynamics. Evidently, the bunching effect is likely common in protein conformational dynamics involving in conformation-gated protein functions. In this perspective, we will also discuss a new approach of 2D regional correlation analysis capable of analyzing fluctuation dynamics of complex multiple correlated and anti-correlated fluctuations under a non-correlated noise background. Using this new method, we are able to map out any defined segments along the fluctuation trajectories and determine whether they are correlated, anti-correlated, or non-correlated; after which, a
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...... finite Larmor radius effects. We find that the maximal radial blob velocity increases with the square root of the initial pressure perturbation and that a finite Larmor radius contributes to highly compact blob structures that propagate in the poloidal direction. An extensive parameter study reveals...... that a smooth transition to this compact blob regime occurs when the finite Larmor radius effect strength, defined by the ratio of the magnetic field aligned component of the ion diamagnetic to the E × B vorticity, exceeds unity. The maximal radial blob velocities agree excellently with the inertial velocity...
A structural dynamic factor model for the effects of monetary policy estimated by the EM algorithm
Bork, Lasse
This paper applies the maximum likelihood based EM algorithm to a large-dimensional factor analysis of US monetary policy. Specifically, economy-wide effects of shocks to the US federal funds rate are estimated in a structural dynamic factor model in which 100+ US macroeconomic and financial time...... series are driven by the joint dynamics of the federal funds rate and a few correlated dynamic factors. This paper contains a number of methodological contributions to the existing literature on data-rich monetary policy analysis. Firstly, the identification scheme allows for correlated factor dynamics...... as opposed to the orthogonal factors resulting from the popular principal component approach to structural factor models. Correlated factors are economically more sensible and important for a richer monetary policy transmission mechanism. Secondly, I consider both static factor loadings as well as dynamic...
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.
Dynamic characteristic of electromechanical coupling effects in motor-gear system
Bai, Wenyu; Qin, Datong; Wang, Yawen; Lim, Teik C.
2018-06-01
Dynamic characteristics of an electromechanical model which combines a nonlinear permeance network model (PNM) of a squirrel-cage induction motor and a coupled lateral-torsional dynamic model of a planetary geared rotor system is analyzed in this study. The simulations reveal the effects of internal excitations or parameters like machine slotting, magnetic saturation, time-varying mesh stiffness and shaft stiffness on the system dynamics. The responses of the electromechanical system with PNM motor model are compared with those responses of the system with dynamic motor model. The electromechanical coupling due to the interactions between the motor and gear system are studied. Furthermore, the frequency analysis of the electromechanical system dynamic characteristics predicts an efficient way to detect work condition of unsymmetrical voltage sag.
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.
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.
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)
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.
Impurity model for mixed-valent Mn3+/Mn4+ ions
Schlottmann, P.; Lee, K.
1997-01-01
Intermediate valent tri- and tetravalent manganese ions play an important role in LaMnO 3 -based systems. We consider a Mn impurity with five orbitals in cubic symmetry which hybridize with conduction electrons. The exchange interaction in the d shell maximizes the impurity spin. We study the valence of the Mn impurity as a function of the splitting of the e g to t 2g orbitals in zero magnetic field and for the totally spin-polarized state. The lifting of the degeneracy of the e g levels due to a small quadrupolar field, related to the Mn-O bond length or a Jahn-Teller effect, is also investigated. Possible implications on the magnetoresistance are discussed. copyright 1997 The American Physical Society
Magnetic phase transition in layered inorganic-organic hybrid (C12H25NH3)2CuCl4
Bochalya, Madhu; Kumar, Sunil; Kanaujia, Pawan K.; Prakash, G. Vijaya
2018-05-01
Inorganic-organic (IO) hybrids are material systems which have become an interesting theme of research for physicist and chemists recently due to the possibility of engineering specific magnetic, thermal or optoelectronic properties by playing around with the transition metal, halides and the organic components. Our experiments on (C12H25NH3)2CuCl4 show that the system exhibits a long range ferromagnetic order below ˜11 K. In such an inorganic-organic hybrid system, Jahn-Teller distortion of the copper ions results into a weak ferromagnetic order as compared to the antiferromagnetic spin-spin exchange in the pure inorganic CuCl2 compound. Moreover, this particular hybrid system also exhibits photoluminescence when excited below absorption maximum related to charge transfer peak though the effect is much weaker as compared to that in extensively studied other MX4-based (M = Sn, Pb; X = Cl, Br, I) counterparts.
Giant Optical Polarization Rotation Induced by Spin-Orbit Coupling in Polarons
Casals, Blai; Cichelero, Rafael; García Fernández, Pablo; Junquera, Javier; Pesquera, David; Campoy-Quiles, Mariano; Infante, Ingrid C.; Sánchez, Florencio; Fontcuberta, Josep; Herranz, Gervasi
2016-07-01
We have uncovered a giant gyrotropic magneto-optical response for doped ferromagnetic manganite La2 /3Ca1 /3MnO3 around the near room-temperature paramagnetic-to-ferromagnetic transition. At odds with current wisdom, where this response is usually assumed to be fundamentally fixed by the electronic band structure, we point to the presence of small polarons as the driving force for this unexpected phenomenon. We explain the observed properties by the intricate interplay of mobility, Jahn-Teller effect, and spin-orbit coupling of small polarons. As magnetic polarons are ubiquitously inherent to many strongly correlated systems, our results provide an original, general pathway towards the generation of magnetic-responsive gigantic gyrotropic responses that may open novel avenues for magnetoelectric coupling beyond the conventional modulation of magnetization.
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.
Displacement disorder and reconstruction of the (001) face of tungsten
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
Krasnenko, V.; Boltrushko, V.; Hizhnyakov, V. [Institute of Physics, University of Tartu, W. Ostwaldi Str 1, 50411 Tartu (Estonia)
2016-04-07
Chemically bound states of benzene molecules with graphene are studied both analytically and numerically. The states are formed by switching off intrabonds of π-electrons in C{sub 6} rings to interbonds. A number of different undistorted and distorted structures are established both with aligned and with transversal mutual orientation of benzene and graphene. The vibronic interactions causing distortions of bound states are found, by using a combination of analytical and numerical considerations. This allows one to determine all electronic transitions of π-electrons without explicit numerical calculations of excited states, to find the conical intersections of potentials, and to show that the mechanism of distortions is the pseudo-Jahn-Teller effect. It is found that the aligned distorted benzene molecule placed between two graphene sheets makes a chemical bond with both of them, which may be used for fastening of graphene sheets together.
Tracking studies of insertion device effects on dynamic aperture in the APS storage ring
Chae, Yong-chul; Crosbie, E.A.
1993-01-01
We studied the effects of an insertion device (ID) on the dynamic aperture in the 7-GeV Advanced Photon Source (APS) storage ring using the program RACETRACK. We found that the nonlinear effect of the ID is the dominant effect on the dynamic aperture reduction compared to the other multipole errors which exist in the otherwise ideal lattice. The previous study of dynamic aperture was based on the assumption that the effect of the fast oscillating terms in L. Smith's Hamiltonian is small, and hence can be neglected in the simulation. The remarkable agreement between the previous study and the current results using RACETRACK, including all effects of the fast oscillating terms, justified those assumptions at least for the APS ring
Effects of barrier fluctuation on the tunneling dynamics in the ...
the present paper is to study the effect of classical subsystem or more importantly the effect of .... of chaos-assisted tunneling has been a topic of interest for various researchers over many .... state causes the increase in tunneling rate constant.
Effects of grain size evolution on mantle dynamics
Schulz, Falko; Tosi, Nicola; Plesa, Ana-Catalina; Breuer, Doris
2016-04-01
The rheology of planetary mantle materials is strongly dependent on temperature, pressure, strain-rate, and grain size. In particular, the rheology of olivine, the most abundant mineral of the Earth's upper mantle, has been extensively studied in the laboratory (e.g., Karato and Wu, 1993; Hirth and Kohlstedt, 2003). Two main mechanisms control olivine's deformation: dislocation and diffusion creep. While the former implies a power-law dependence of the viscosity on the strain-rate that leads to a non-Newtonian behaviour, the latter is sensitively dependent on the grain size. The dynamics of planetary interiors is locally controlled by the deformation mechanism that delivers the lowest viscosity. Models of the dynamics and evolution of planetary mantles should thus be capable to self-consistently distinguish which of the two mechanisms dominates at given conditions of temperature, pressure, strain-rate and grain size. As the grain size can affect the viscosity associated with diffusion creep by several orders of magnitude, it can strongly influence the dominant deformation mechanism. The vast majority of numerical, global-scale models of mantle convection, however, are based on the use of a linear diffusion-creep rheology with constant grain-size. Nevertheless, in recent studies, a new equation has been proposed to properly model the time-dependent evolution of the grain size (Austin and Evens, 2007; Rozel et al., 2010). We implemented this equation in our mantle convection code Gaia (Hüttig et al., 2013). In the framework of simple models of stagnant lid convection, we compared simulations based on the fully time-dependent equation of grain-size evolution with simulations based on its steady-state version. In addition, we tested a number of different parameters in order to identify those that affects the grain size to the first order and, in turn, control the conditions at which mantle deformation is dominated by diffusion or dislocation creep. References Austin
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.
Effect of Footwear on Dynamic Stability during Single-leg Jump Landings.
Bowser, Bradley J; Rose, William C; McGrath, Robert; Salerno, Jilian; Wallace, Joshua; Davis, Irene S
2017-06-01
Barefoot and minimal footwear running has led to greater interest in the biomechanical effects of different types of footwear. The effect of running footwear on dynamic stability is not well understood. The purpose of this study was to compare dynamic stability and impact loading across 3 footwear conditions; barefoot, minimal footwear and standard running shoes. 25 injury free runners (21 male, 4 female) completed 5 single-leg jump landings in each footwear condition. Dynamic stability was assessed using the dynamic postural stability index and its directional components (mediolateral, anteroposterior, vertical). Peak vertical ground reaction force and vertical loadrates were also compared across footwear conditions. Dynamic stability was dependent on footwear type for all stability indices (ANOVA, pfootwear for the anteroposterior stability index (pfootwear (p≤0.05). Dynamic stability, peak vertical force, and average loadrates during single-leg jump landings appear to be affected by footwear type. The results suggest greater dynamic stability and lower impact loading when landing barefoot or in minimal footwear. © Georg Thieme Verlag KG Stuttgart · New York.
Molecular dynamics studies of radiation effects in silicon carbide
Diaz de la Rubia, T.; Caturla, M.J.; Tobin, M.
1995-01-01
We discuss results of molecular dynamics computer simulation studies of 3 keV and 5 keV displacement cascades in β-SIC, and compare them to results of 5 keV cascades in pure silicon. The SiC simulations are performed with the Tersoff potential. For silicon we use the Stillinger-Weber potential. Simulations were carried out for Si recoils in 3 dimensional cubic computational cells With periodic boundary conditions and up to 175,616 atoms. The cascade lifetime in SiC is found to be extremely short. This, combined with the high melting temperature of SiC, precludes direct lattice amorphization during the cascade. Although large disordered regions result, these retain their basic crystalline structure. These results are in contrast with observations in pure silicon where direct-impact amorphization from the cascade is seen to take place. The SiC results also show anisotropy in the number of Si and C recoils as well as in the number of replacements in each sublattice. Details of the damage configurations obtained will be discussed
Effect of texturing on polarization switching dynamics in ferroelectric ceramics
Zhukov, Sergey; Genenko, Yuri A.; Koruza, Jurij; Schultheiß, Jan; von Seggern, Heinz; Sakamoto, Wataru; Ichikawa, Hiroki; Murata, Tatsuro; Hayashi, Koichiro; Yogo, Toshinobu
2016-01-01
Highly (100),(001)-oriented (Ba0.85Ca0.15)TiO3 (BCT) lead-free piezoelectric ceramics were fabricated by the reactive templated grain growth method using a mixture of plate-like CaTiO3 and BaTiO3 particles. Piezoelectric properties of the ceramics with a high degree of texture were found to be considerably enhanced compared with the BCT ceramics with a low degree of texture. With increasing the Lotgering factor from 26% up to 94%, the piezoelectric properties develop towards the properties of a single crystal. The dynamics of polarization switching was studied over a broad time domain of 8 orders of magnitude and was found to strongly depend on the degree of orientation of the ceramics. Samples with a high degree of texture exhibited 2-3 orders of magnitude faster polarization switching, as compared with the ones with a low degree of texture. This was rationalized by means of the Inhomogeneous Field Mechanism model as a result of the narrower statistical distribution of the local electric field values in textured media, which promotes a more coherent switching process. The extracted microscopic parameters of switching revealed a decrease of the critical nucleus energy in systems with a high degree of texture providing more favorable switching conditions related to the enhanced ferroelectric properties of the textured material.
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.
Fluid dynamic effects on precision cleaning with supercritical fluids
Phelps, M.R.; Hogan, M.O.; Silva, L.J.
1994-06-01
Pacific Northwest Laboratory staff have assembled a small supercritical fluids parts cleaning test stand to characterize how system dynamics affect the efficacy of precision cleaning with supercritical carbon dioxide. A soiled stainless steel coupon, loaded into a ``Berty`` autoclave, was used to investigate how changes in system turbulence and solvent temperature influenced the removal of test dopants. A pulsed laser beam through a fiber optic was used to investigate real-time contaminant removal. Test data show that cleaning efficiency is a function of system agitation, solvent density, and temperature. These data also show that high levels of cleaning efficiency can generally be achieved with high levels of system agitation at relatively low solvent densities and temperatures. Agitation levels, temperatures, and densities needed for optimal cleaning are largely contaminant dependent. Using proper system conditions, the levels of cleanliness achieved with supercritical carbon dioxide compare favorably with conventional precision cleaning methods. Additional research is currently being conducted to generalize the relationship between cleaning performance and parameters such as contaminant solubilities, mass transfer rates, and solvent agitation. These correlations can be used to optimize cleaning performance, system design, and time and energy consumption for particular parts cleaning applications.
Hall current effects in dynamic magnetic reconnection solutions
Craig, I.J.D.; Heerikhuisen, J.; Watson, P.G.
2003-01-01
The impact of Hall current contributions on flow driven planar magnetic merging solutions is discussed. The Hall current is important if the dimensionless Hall parameter (or normalized ion skin depth) satisfies c H >η, where η is the inverse Lundquist number for the plasma. A dynamic analysis of the problem shows, however, that the Hall current initially manifests itself, not by modifying the planar reconnection field, but by inducing a non-reconnecting perpendicular 'separator' component in the magnetic field. Only if the stronger condition c H 2 >η is satisfied can Hall currents be expected to affect the planar merging. These analytic predictions are then tested by performing a series of numerical experiments in periodic geometry, using the full system of planar magnetohydrodynamic (MHD) equations. The numerical results confirm that the nature of the merging changes dramatically when the Hall coupling satisfies c H 2 >η. In line with the analytic treatment of sheared reconnection, the coupling provided by the Hall term leads to the emergence of multiple current layers that can enhance the global Ohmic dissipation at the expense of the reconnection rate. However, the details of the dissipation depend critically on the symmetries of the simulation, and when the merging is 'head-on' (i.e., comprises fourfold symmetry) the reconnection rate can be enhanced
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
Huang, Zhi Yong; Chaboche, Jean-Louis; Wang, Qing Yuan; Wagner, Danièle; Bathias, Claude
2014-01-01
Carbon–manganese steel A48 (French standard) is used in steam generator pipes of nuclear reactor pressure vessels at high temperatures (about 200 °C). The steel is sensitive to dynamic strain aging in monotonic tensile test and low cycle fatigue test at certain temperature range and strain rate. Its isotropic hardening behavior observed from experiments has a hardening, softening and hardening evolution with the effect of dynamic strain aging. The isotropic hardening model is improved by coupling the dislocation and dynamic strain aging theory to describe the behavior of A48 at 200 °C
Huang, Zhi Yong, E-mail: huangzy@scu.edu.cn [Sichuan University, School of Aeronautics and Astronautics, No. 29 Jiuyanqiao Wangjiang Road, Chengdu 610064 (China); Chaboche, Jean-Louis [ONERA, DMSM, 29 avenue de la Division Lecerc, F-92320 Chatillon (France); Wang, Qing Yuan [Sichuan University, School of Aeronautics and Astronautics, No. 29 Jiuyanqiao Wangjiang Road, Chengdu 610064 (China); Wagner, Danièle; Bathias, Claude [Université ParisOuest Nanterre La Défense (France)
2014-01-01
Carbon–manganese steel A48 (French standard) is used in steam generator pipes of nuclear reactor pressure vessels at high temperatures (about 200 °C). The steel is sensitive to dynamic strain aging in monotonic tensile test and low cycle fatigue test at certain temperature range and strain rate. Its isotropic hardening behavior observed from experiments has a hardening, softening and hardening evolution with the effect of dynamic strain aging. The isotropic hardening model is improved by coupling the dislocation and dynamic strain aging theory to describe the behavior of A48 at 200 °C.
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.
Dynamics of the stochastic Lorenz chaotic system with long memory effects
Zeng, Caibin, E-mail: zeng.cb@mail.scut.edu.cn; Yang, Qigui, E-mail: qgyang@scut.edu.cn [School of Mathematics, South China University of Technology, Guangzhou 510640 (China)
2015-12-15
Little seems to be known about the ergodic dynamics of stochastic systems with fractional noise. This paper is devoted to discern such long time dynamics through the stochastic Lorenz chaotic system (SLCS) with long memory effects. By a truncation technique, the SLCS is proved to generate a continuous stochastic dynamical system Λ. Based on the Krylov-Bogoliubov criterion, the required Lyapunov function is further established to ensure the existence of the invariant measure of Λ. Meanwhile, the uniqueness of the invariant measure of Λ is proved by examining the strong Feller property, together with an irreducibility argument. Therefore, the SLCS has exactly one adapted stationary solution.
Self-consistent treatment of spin and magnetization dynamic effect in spin transfer switching
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.
Higher-order dynamical effects in Coulomb dissociation
Esbensen, H.
1994-06-01
We study the effect of higher-order processes in Coulomb dissociation of 11 Li by numerically solving the three-dimensional time-dependent Schroedinger equation for the relative motion of a di-neutron and the 9 Li core. Comparisons are made to first-order perturbation theory and to measurements. The calculated Coulomb reacceleration effects improve the agreement with experiment, but some discrepancy remains. The effects are much smaller in the dissociation of 11 Be, and they decrease with increasing beam energy. (orig.)
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...
Real Effective Exchange Rate Dynamics in Malawi and South Africa
Kisu Simwaka
2004-01-01
This study investigates the main determinants of real effective exchange rate in Malawi and South Africa. In our empirical analysis, we conducted unit root and cointegration test in order to determine the time series properties of the data and establish whether there is a long run relationship between real effective exchange rate and explanatory variables. Having ascertained that almost all variiables are integrated of order one and cointegrated, an error correction model is formulated and es...
Numerical study of self-field effects on dynamics of Josephson-junction arrays
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.)
Understanding the dynamic effects of returning patients toward emergency department density
Ahmad, Norazura; Zulkepli, Jafri; Ramli, Razamin; Ghani, Noraida Abdul; Teo, Aik Howe
2017-11-01
This paper presents the development of a dynamic hypothesis for the effect of returning patients to the emergency department (ED). A logical tree from the Theory of Constraint known as Current Reality Tree was used to identify the key variables. Then, a hypothetical framework portraying the interrelated variables and its influencing relationships was developed using causal loop diagrams (CLD). The conceptual framework was designed as the basis for the development of a system dynamics model.
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)
Effects of Plectin Depletion on Keratin Network Dynamics and Organization.
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.
Shuhua Yi; A. David McGuire; Eric Kasischke; Jennifer Harden; Kristen Manies; Michelle Mack; Merritt. Turetsky
2010-01-01
Ecosystem models have not comprehensively considered how interactions among fire disturbance, soil environmental conditions, and biogeochemical processes affect ecosystem dynamics in boreal forest ecosystems. In this study, we implemented a dynamic organic soil structure in the Terrestrial Ecosystem Model (DOS-TEM) to investigate the effects of fire on soil temperature...
Effect of surface topography upon micro-impact dynamics
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)
Complex scattering dynamics and the integer quantum Hall effect
Trugman, S.A.; Waugh, F.R.
1987-01-01
The effect of a magnetic field on potential scattering is investigated microscopically. A magnetic field renders the scattering of a classical charged particle far more complex than previously suspected. Consequences include possible 1/f noise and an explanation of the observed breakdown of the quantum Hall effect at large currents. A particular scatterer is described by a discontinuous one dimensional Hamiltonian map, a class of maps that has not previously been studied. A renormalization group analysis indicates that singular behavior arises from the interplay of electron orbits that are periodic and orbits that are quasiperiodic
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
A Dynamic Analysis of the Effects of Intelligence and Socioeconomic Background on Job-Market Success
Ganzach, Yoav
2011-01-01
We compare the effects of socioeconomic background (SEB) and intelligence on wage trajectories in a dynamic growth modeling framework in a sample that had completed just 12 years of education. I show that the main difference between the two is that SEB affected wages solely by its effect on entry pay whereas intelligence affected wages primarily…
Nielsen, Per Kær; Nielsen, Torben Roland; Lodahl, P.
2012-01-01
of the physics and emphasize the important role played by the effective phonon density, describing the availability of phonons for scattering, in quantum dot decay dynamics. Based on the analytical expressions, we present the parameter regimes where phonon effects are expected to be important. Also, we include...
Basler, Mathias; Gindensperger, Etienne; Meyer, Hans-Dieter; Cederbaum, Lorenz S.
2008-01-01
We address the nonadiabatic quantum dynamics of (macro)systems involving a vast number of nuclear degrees of freedom (modes) in the presence of conical intersections. The macrosystem is first decomposed into a system part carrying a few, strongly coupled modes, and an environment, comprising the remaining modes. By successively transforming the modes of the environment, a hierarchy of effective Hamiltonians for the environment can be constructed. Each effective Hamiltonian depends on a reduced number of effective modes, which carry cumulative effects. The environment is described by a few effective modes augmented by a residual environment. In practice, the effective modes can be added to the system's modes and the quantum dynamics of the entire macrosystem can be accurately calculated on a limited time-interval. For longer times, however, the residual environment plays a role. We investigate the possibility to treat fully quantum mechanically the system plus a few effective environmental modes, augmented by the dynamics of the residual environment treated by the time-dependent Hartree (TDH) approximation. While the TDH approximation is known to fail to correctly reproduce the dynamics in the presence of conical intersections, it is shown that its use on top of the effective-mode formalism leads to much better results. Two numerical examples are presented and discussed; one of them is known to be a critical case for the TDH approximation
The effect of dynamic aging on the strain hardening rate of titanium
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
Camacho, S.; Eck, van Arianne; De Velde, Van Fred; Stieger, M.A.
2015-01-01
Knowledge of the formation of oral coatings and their influence on subsequent taste perception is necessary to understand possible taste-masking effects by oil coatings. This study investigated (a) the dynamics of the formation of oral oil coatings formed by o/w emulsions and (b) the effect of oral
Bis-gadolinium complexes for solid effect and cross effect dynamic nuclear polarization
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)
Dynamical effects in the Colomb expansion following nuclear fragmentation
Chung, K.C.; Donangelo, R.J.; Schechter, H.
1987-01-01
The effects of the Colomb expansion on the fragment Kinetic energy spectrum for a fragmentating hot nuclear system is investigated. In particular, 12 C fragment spectra are calculated and compared with those predicted by the uniform expansion approximation. The results indicate that energy spectra of fragments are quite sensitive to the details of the Coulomb expansion treatment. (Author) [pt
Beyond effective half-life characterization of radionuclide dynamics
Hermanska, J.; Blazek, T.; Karny, M.
1996-01-01
A refined model was set up and tested of the effective radionuclide half-life in nuclear medicine, making allowance for the fact that the basic assumption that the observed data can be fitted by a mono-exponential, as well as some other assumptions, is not true. The results are discussed. (P.A.). 1 tab., 32 refs
The Effect of Polar Lipids on Tear Film Dynamics
Aydemir, E.; Breward, C. J. W.; Witelski, T. P.
2010-01-01
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
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 dynamic loading of motor-operated valve actuators
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
Multi-State Vibronic Interactions in Fluorinated Benzene Radical Cations.
Faraji, S.; Köppel, H.
2009-06-01
Conical intersections of potential energy surfaces have emerged as paradigms for signalling strong nonadiabatic coupling effects. An important class of systems where some of these effects have been analyzed in the literature, are the benzene and benzenoid cations, where the electronic structure, spectroscopy, and dynamics have received great attention in the literature. In the present work a brief overview is given over our theoretical treatments of multi-mode and multi-state vibronic interactions in the benzene radical cation and some of its fluorinated derivatives. The fluorobenzene derivatives are of systematic interest for at least two different reasons. (1) The reduction of symmetry by incomplete fluorination leads to a disappearance of the Jahn-Teller effect present in the parent cation. (2) A specific, more chemical effect of fluorination consists in the energetic increase of the lowest σ-type electronic states of the radical cations. The multi-mode multi-state vibronic interactions between the five lowest electronic states of the fluorobenzene radical cations are investigated theoretically, based on ab initio electronic structure data, and employing the well-established linear vibronic coupling model, augmented by quadratic coupling terms for the totally symmetric vibrational modes. Low-energy conical intersections, and strong vibronic couplings are found to prevail within the set of tilde{X}-tilde{A} and tilde{B}-tilde{C}-tilde{D} cationic states, while the interactions between these two sets of states are found to be weaker and depend on the particular isomer. This is attributed to the different location of the minima of the various conical intersections occurring in these systems. Wave-packet dynamical simulations for these coupled potential energy surfaces, utilizing the powerful multi-configuration time-dependent Hartree method are performed. Ultrafast internal conversion processes and the analysis of the MATI and photo-electron spectra shed new light
Determination of static and dynamic reactivity effects in KNK II
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
Dynamically assisted Sauter-Schwinger effect in inhomogeneous electric fields
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.
Stochastic dynamics of spatial effects in fragmentation of clusters
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)
Temperature shifts in the Sinai model: static and dynamical effects
Sales, Marta; Bouchaud, Jean-Philippe; Ritort, Felix
2003-01-01
We study analytically and numerically the role of temperature shifts in the simplest model where the energy landscape is explicitly hierarchical, namely the Sinai model. This model has both attractive features (there are valleys within valleys in a strict self-similar sense), but also one important drawback: there is no phase transition so that the model is, in the large-size limit, effectively at zero temperature. We compute various static chaos indicators, that are found to be trivial in the large-size limit, but exhibit interesting features for finite sizes. Correspondingly, for finite times, some interesting rejuvenation effects, related to the self-similar nature of the potential, are observed. Still, the separation of time scales/length scales with temperature in this model is much weaker than in experimental spin glasses
Feedback effect on flute dynamics in a mirror machine
Be’ery, I; Seemann, O
2015-01-01
The effect of active feedback on flute instability is experimentally studied in a table-top mirror machine. Changing the plasma conditions from mirror-loss dominated to flute-loss dominated, it is demonstrated that while the feedback has no effect on plasma density in the first case, it increases the plasma density by up to 50% in the second case. Measurements of the dependence of instability amplitude on feedback gain show that large gain stimulates high frequency perturbations. The period of these perturbations corresponds to the inherent delay of immersed electrode feedback. Variation of the spatial phase between the input and output of the phase reveals a large asymmetry between positive and negative phase shifts. A simplified model is introduced to explain how a negative phase shift causes positive feedback between the external feedback and the centrifugally driven rotation. (paper)
Jung, Y.
1997-01-01
In dense plasmas, dynamic plasma screening effects are investigated on 1s→2p dipole transition probabilities for electron-impact excitation of hydrogenic ions. The electron endash ion interaction potential is considered by introduction of the plasma dielectric function. A semiclassical straight-line trajectory method is applied to the path of the projectile electron in order to visualize the semiclassical transition probability as a function of the impact parameter, projectile energy, and plasma parameters. The transition probability including the dynamic plasma screening effect is always greater than that including the static plasma screening effect. When the projectile velocity is smaller than the electron thermal velocity, the dynamic polarization screening effect becomes the static plasma screening effect. When the projectile velocity is greater than the electron thermal velocity, then the interaction potential is almost unshielded. The difference between the dynamic and static plasma screening effects is more significant for low-energy projectiles. It is also found that the static plasma screening formula obtained by the Debye endash Hueckel model overestimates the plasma screening effects on the atomic excitation processes in dense plasmas. copyright 1997 American Institute of Physics
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
Optical detection of magnetic resonance of the F-centre in CaO in its phosphorescent state
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.)
Extending Virtual Reality simulation of ITER maintenance operations with dynamic effects
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.
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.
Effects of imperfections on the dynamic aperture and closed orbit of the IPNS Upgrade synchrotron
Lessner, E.; Chae, Y.C.; Kim, S.
1995-01-01
Magnet imperfections and misalignments are analyzed in terms of their effects on the dynamic aperture and closed orbit of the IPNS Upgrade synchrotron. The dynamic aperture is limited primarily by the presence of chromaticity-correcting sextupoles. With the sextupoles energized to the values required to adjust the chromaticities to zero, further reductions of the dynamic aperture caused by dipole strength and roll errors, quadrupole strength and alignment errors, and higher-order multipole errors are studied by tracking. Design specifications for the dipole corrector magnets are obtained and the dynamic aperture is studied before and after correction of the closed orbit. The use of harmonic-correcting sextupoles to reduce the amplitude-dependent tune shifts driven by the chromaticity-correcting sextupoles is investigated
Interring Gas Dynamic Analysis of Piston in a Diesel Engine considering the Thermal Effect
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.
Biological vs. physical mixing effects on benthic food web dynamics.
Ulrike Braeckman
Full Text Available Biological particle mixing (bioturbation and solute transfer (bio-irrigation contribute extensively to ecosystem functioning in sediments where physical mixing is low. Macrobenthos transports oxygen and organic matter deeper into the sediment, thereby likely providing favourable niches to lower trophic levels (i.e., smaller benthic animals such as meiofauna and bacteria and thus stimulating mineralisation. Whether this biological transport facilitates fresh organic matter assimilation by the metazoan lower part of the food web through niche establishment (i.e., ecosystem engineering or rather deprives them from food sources, is so far unclear. We investigated the effects of the ecosystem engineers Lanice conchilega (bio-irrigator and Abra alba (bioturbator compared to abiotic physical mixing events on survival and food uptake of nematodes after a simulated phytoplankton bloom. The (13C labelled diatom Skeletonema costatum was added to 4 treatments: (1 microcosms containing the bioturbator, (2 microcosms containing the bio-irrigator, (3 control microcosms and (4 microcosms with abiotic manual surface mixing. Nematode survival and subsurface peaks in nematode density profiles were most pronounced in the bio-irrigator treatment. However, nematode specific uptake (Δδ(13C of the added diatoms was highest in the physical mixing treatment, where macrobenthos was absent and the diatom (13C was homogenised. Overall, nematodes fed preferentially on bulk sedimentary organic material rather than the added diatoms. The total C budget (µg C m(-2, which included TO(13C remaining in the sediment, respiration, nematode and macrobenthic uptake, highlighted the limited assimilation by the metazoan benthos and the major role of bacterial respiration. In summary, bioturbation and especially bio-irrigation facilitated the lower trophic levels mainly over the long-term through niche establishment. Since the freshly added diatoms represented only a limited food
Krylova, Olga; Earn, David J D
2013-07-06
The population dynamics of infectious diseases occasionally undergo rapid qualitative changes, such as transitions from annual to biennial cycles or to irregular dynamics. Previous work, based on the standard seasonally forced 'susceptible-exposed-infectious-removed' (SEIR) model has found that transitions in the dynamics of many childhood diseases result from bifurcations induced by slow changes in birth and vaccination rates. However, the standard SEIR formulation assumes that the stage durations (latent and infectious periods) are exponentially distributed, whereas real distributions are narrower and centred around the mean. Much recent work has indicated that realistically distributed stage durations strongly affect the dynamical structure of seasonally forced epidemic models. We investigate whether inferences drawn from previous analyses of transitions in patterns of measles dynamics are robust to the shapes of the stage duration distributions. As an illustrative example, we analyse measles dynamics in New York City from 1928 to 1972. We find that with a fixed mean infectious period in the susceptible-infectious-removed (SIR) model, the dynamical structure and predicted transitions vary substantially as a function of the shape of the infectious period distribution. By contrast, with fixed mean latent and infectious periods in the SEIR model, the shapes of the stage duration distributions have a less dramatic effect on model dynamical structure and predicted transitions. All these results can be understood more easily by considering the distribution of the disease generation time as opposed to the distributions of individual disease stages. Numerical bifurcation analysis reveals that for a given mean generation time the dynamics of the SIR and SEIR models for measles are nearly equivalent and are insensitive to the shapes of the disease stage distributions.
Complex dynamics of the integer quantum Hall effect
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
Nuclear dynamics with the (finite range) Gogny force: flow effects
Sebille, F.; Royer, G.; Schuck, P.; Gregoire, C.
1988-01-01
We introduce for the first time the effective finite range interaction of Gogny in the semi-classical description of heavy ion reactions based on the Landau-Vlasov equation. The characteristics of the flow for heavy ion collisions are studied as functions of the incident energy, the impact parameter and the mass number. The momentum dependence in the mean field together with the non linearities in the collision kernel decrease the flow in contradiction with other calculations; the origins of this discrepancy are studied in details
Effects of phase transition induced density fluctuations on pulser dynamics
Bagchi, Partha; Das, Arpan; Srivastava, Ajit M.; Layek, Biswanath
2016-01-01
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. (author)
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
Effects of Switching Behavior for the Attraction on Pedestrian Dynamics.
Kwak, Jaeyoung; Jo, Hang-Hyun; Luttinen, Tapio; Kosonen, Iisakki
2015-01-01
Walking is a fundamental activity of our daily life not only for moving to other places but also for interacting with surrounding environment. While walking on the streets, pedestrians can be aware of attractions like shopping windows. They can be influenced by the attractions and some of them might shift their attention towards the attractions, namely switching behavior. As a first step to incorporate the switching behavior, this study investigates collective effects of switching behavior for an attraction by developing a behavioral model. Numerical simulations exhibit different patterns of pedestrian behavior depending on the strength of the social influence and the average length of stay. When the social influence is strong along with a long length of stay, a saturated phase can be defined at which all the pedestrians have visited the attraction. If the social influence is not strong enough, an unsaturated phase appears where one can observe that some pedestrians head for the attraction while others walk in their desired direction. These collective patterns of pedestrian behavior are summarized in a phase diagram by comparing the number of pedestrians who visited the attraction to the number of passersby near the attraction. Measuring the marginal benefits with respect to the strength of the social influence and the average length of stay enables us to identify under what conditions enhancing these variables would be more effective. The findings from this study can be understood in the context of the pedestrian facility management, for instance, for retail stores.
Effects of Switching Behavior for the Attraction on Pedestrian Dynamics.
Jaeyoung Kwak
Full Text Available Walking is a fundamental activity of our daily life not only for moving to other places but also for interacting with surrounding environment. While walking on the streets, pedestrians can be aware of attractions like shopping windows. They can be influenced by the attractions and some of them might shift their attention towards the attractions, namely switching behavior. As a first step to incorporate the switching behavior, this study investigates collective effects of switching behavior for an attraction by developing a behavioral model. Numerical simulations exhibit different patterns of pedestrian behavior depending on the strength of the social influence and the average length of stay. When the social influence is strong along with a long length of stay, a saturated phase can be defined at which all the pedestrians have visited the attraction. If the social influence is not strong enough, an unsaturated phase appears where one can observe that some pedestrians head for the attraction while others walk in their desired direction. These collective patterns of pedestrian behavior are summarized in a phase diagram by comparing the number of pedestrians who visited the attraction to the number of passersby near the attraction. Measuring the marginal benefits with respect to the strength of the social influence and the average length of stay enables us to identify under what conditions enhancing these variables would be more effective. The findings from this study can be understood in the context of the pedestrian facility management, for instance, for retail stores.
Effect of external fields in Axelrod's model of social dynamics
Peres, Lucas R.; Fontanari, José F.
2012-09-01
The study of the effects of spatially uniform fields on the steady-state properties of Axelrod's model has yielded plenty of counterintuitive results. Here, we reexamine the impact of this type of field for a selection of parameters such that the field-free steady state of the model is heterogeneous or multicultural. Analyses of both one- and two-dimensional versions of Axelrod's model indicate that the steady state remains heterogeneous regardless of the value of the field strength. Turning on the field leads to a discontinuous decrease on the number of cultural domains, which we argue is due to the instability of zero-field heterogeneous absorbing configurations. We find, however, that spatially nonuniform fields that implement a consensus rule among the neighborhood of the agents enforce homogenization. Although the overall effects of the fields are essentially the same irrespective of the dimensionality of the model, we argue that the dimensionality has a significant impact on the stability of the field-free homogeneous steady state.
Effect of thermal fluctuations in spin-torque driven magnetization dynamics
Bonin, R.; Bertotti, G.; Serpico, C.; Mayergoyz, I.D.; D'Aquino, M.
2007-01-01
Nanomagnets with uniaxial symmetry driven by an external field and spin-polarized currents are considered. Anisotropy, applied field, and spin polarization are all aligned along the symmetry axis. Thermal fluctuations are described by adding a Gaussian white noise stochastic term to the Landau-Lifshitz-Gilbert equation for the deterministic dynamics. The corresponding Fokker-Planck equation is derived. It is shown that deterministic dynamics, thermal relaxation, and transition rate between stable states are governed by an effective potential including the effect of current injection
Effect of thermal fluctuations in spin-torque driven magnetization dynamics
Bonin, R. [INRiM, I-10135 Turin (Italy)]. E-mail: bonin@inrim.it; Bertotti, G. [INRiM, I-10135 Turin (Italy); Serpico, C. [Dipartimento di Ingegneria Elettrica, Universita di Napoli ' Federico II' I-80125 Naples (Italy); Mayergoyz, I.D. [Department of Electrical and Computer Engineering, University of Maryland, College Park, MD 20742 (United States); D' Aquino, M. [Dipartimento per le Tecnologie, Universita di Napoli ' Parthenope' , I-80133 Naples (Italy)
2007-09-15
Nanomagnets with uniaxial symmetry driven by an external field and spin-polarized currents are considered. Anisotropy, applied field, and spin polarization are all aligned along the symmetry axis. Thermal fluctuations are described by adding a Gaussian white noise stochastic term to the Landau-Lifshitz-Gilbert equation for the deterministic dynamics. The corresponding Fokker-Planck equation is derived. It is shown that deterministic dynamics, thermal relaxation, and transition rate between stable states are governed by an effective potential including the effect of current injection.
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.
Nitrogen Deposition Effects on Soil Carbon Dynamics in Temperate Forests
Ginzburg Ozeri, Shimon
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 nitrog...... implications for modelling the carbon sink-strength of temperate forests under global change.......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...... (N) deposition into forest ecosystems has been increasing globally and was hypothesized to raise soil organic C (SOC) stocks by increasing forest productivity and by reducing SOM decomposition. Yet, these effects of N deposition on forest SOC stocks are uncertain and largely based on observations...
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.
Pharmacological effect on pyeloureteric dynamics with a clinical perspective
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....
Numerical Diffusion Effect in Dynamic Simulation of Thermohydraulic Systems
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
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.
Static and Dynamic Pricing Strategies in a Closed-Loop Supply Chain with Reference Quality Effects
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
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.