Pelzer, Kenley; Greenman, Loren; Gidofalvi, Gergely; Mazziotti, David A
2011-06-09
Polyaromatic hydrocarbons (PAHs) are a class of organic molecules with importance in several branches of science, including medicine, combustion chemistry, and materials science. The delocalized π-orbital systems in PAHs require highly accurate electronic structure methods to capture strong electron correlation. Treating correlation in PAHs has been challenging because (i) traditional wave function methods for strong correlation have not been applicable since they scale exponentially in the number of strongly correlated orbitals, and (ii) alternative methods such as the density-matrix renormalization group and variational two-electron reduced density matrix (2-RDM) methods have not been applied beyond linear acene chains. In this paper we extend the earlier results from active-space variational 2-RDM theory [Gidofalvi, G.; Mazziotti, D. A. J. Chem. Phys. 2008, 129, 134108] to the more general two-dimensional arrangement of rings--acene sheets--to study the relationship between geometry and electron correlation in PAHs. The acene-sheet calculations, if performed with conventional wave function methods, would require wave function expansions with as many as 1.5 × 10(17) configuration state functions. To measure electron correlation, we employ several RDM-based metrics: (i) natural-orbital occupation numbers, (ii) the 1-RDM von Neumann entropy, (iii) the correlation energy per carbon atom, and (iv) the squared Frobenius norm of the cumulant 2-RDM. The results confirm a trend of increasing polyradical character with increasing molecular size previously observed in linear PAHs and reveal a corresponding trend in two-dimensional (arch-shaped) PAHs. Furthermore, in PAHs of similar size they show significant variations in correlation with geometry. PAHs with the strictly linear geometry (chains) exhibit more electron correlation than PAHs with nonlinear geometries (sheets).
Energy Technology Data Exchange (ETDEWEB)
Brics, Martins; Kapoor, Varun; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)
2013-07-01
Time-dependent density functional theory (TDDFT) with known and practicable exchange-correlation potentials does not capture highly correlated electron dynamics such as single-photon double ionization, autoionization, or nonsequential ionization. Time-dependent reduced density matrix functional theory (TDRDMFT) may remedy these problems. The key ingredients in TDRDMFT are the natural orbitals (NOs), i.e., the eigenfunctions of the one-body reduced density matrix (1-RDM), and the occupation numbers (OCs), i.e., the respective eigenvalues. The two-body reduced density matrix (2-RDM) is then expanded in NOs, and equations of motion for the NOs can be derived. If the expansion coefficients of the 2-RDM were known exactly, the problem at hand would be solved. In practice, approximations have to be made. We study the prospects of TDRDMFT following a top-down approach. We solve the exact two-electron time-dependent Schroedinger equation for a model Helium atom in intense laser fields in order to study highly correlated phenomena such as the population of autoionizing states or single-photon double ionization. From the exact wave function we calculate the exact NOs, OCs, the exact expansion coefficients of the 2-RDM, and the exact potentials in the equations of motion. In that way we can identify how many NOs and which level of approximations are necessary to capture such phenomena.
Perturbation theory corrections to the two-particle reduced density matrix variational method.
Juhasz, Tamas; Mazziotti, David A
2004-07-15
In the variational 2-particle-reduced-density-matrix (2-RDM) method, the ground-state energy is minimized with respect to the 2-particle reduced density matrix, constrained by N-representability conditions. Consider the N-electron Hamiltonian H(lambda) as a function of the parameter lambda where we recover the Fock Hamiltonian at lambda=0 and we recover the fully correlated Hamiltonian at lambda=1. We explore using the accuracy of perturbation theory at small lambda to correct the 2-RDM variational energies at lambda=1 where the Hamiltonian represents correlated atoms and molecules. A key assumption in the correction is that the 2-RDM method will capture a fairly constant percentage of the correlation energy for lambda in (0,1] because the nonperturbative 2-RDM approach depends more significantly upon the nature rather than the strength of the two-body Hamiltonian interaction. For a variety of molecules we observe that this correction improves the 2-RDM energies in the equilibrium bonding region, while the 2-RDM energies at stretched or nearly dissociated geometries, already highly accurate, are not significantly changed. At equilibrium geometries the corrected 2-RDM energies are similar in accuracy to those from coupled-cluster singles and doubles (CCSD), but at nonequilibrium geometries the 2-RDM energies are often dramatically more accurate as shown in the bond stretching and dissociation data for water and nitrogen. (c) 2004 American Institute of Physics.
International Nuclear Information System (INIS)
Jeffcoat, David B.; DePrince, A. Eugene
2014-01-01
Propagating the equations of motion (EOM) for the one-electron reduced-density matrix (1-RDM) requires knowledge of the corresponding two-electron RDM (2-RDM). We show that the indeterminacy of this expression can be removed through a constrained optimization that resembles the variational optimization of the ground-state 2-RDM subject to a set of known N-representability conditions. Electronic excitation energies can then be obtained by propagating the EOM for the 1-RDM and following the dipole moment after the system interacts with an oscillating external electric field. For simple systems with well-separated excited states whose symmetry differs from that of the ground state, excitation energies obtained from this method are comparable to those obtained from full configuration interaction computations. Although the optimized 2-RDM satisfies necessary N-representability conditions, the procedure cannot guarantee a unique mapping from the 1-RDM to the 2-RDM. This deficiency is evident in the mean-field-quality description of transitions to states of the same symmetry as the ground state, as well as in the inability of the method to describe Rabi oscillations
Jeffcoat, David B.; DePrince, A. Eugene
2014-12-01
Propagating the equations of motion (EOM) for the one-electron reduced-density matrix (1-RDM) requires knowledge of the corresponding two-electron RDM (2-RDM). We show that the indeterminacy of this expression can be removed through a constrained optimization that resembles the variational optimization of the ground-state 2-RDM subject to a set of known N-representability conditions. Electronic excitation energies can then be obtained by propagating the EOM for the 1-RDM and following the dipole moment after the system interacts with an oscillating external electric field. For simple systems with well-separated excited states whose symmetry differs from that of the ground state, excitation energies obtained from this method are comparable to those obtained from full configuration interaction computations. Although the optimized 2-RDM satisfies necessary N-representability conditions, the procedure cannot guarantee a unique mapping from the 1-RDM to the 2-RDM. This deficiency is evident in the mean-field-quality description of transitions to states of the same symmetry as the ground state, as well as in the inability of the method to describe Rabi oscillations.
International Nuclear Information System (INIS)
Mazziotti, David A.
2002-01-01
Atomic and molecular ground-state energies are variationally determined by constraining the two-particle reduced density matrix (2-RDM) to satisfy positivity conditions. Because each positivity condition corresponds to correcting the ground-state energies for a class of Hamiltonians with two-particle interactions, these conditions collectively provide a new approach to many-body theory that, unlike perturbation theory, can capture significantly correlated phenomena including the multireference effects of potential-energy surfaces. The D, Q, and G conditions for the 2-RDM are extended through generalized lifting operators inspired from the formal solution of N-representability. These lifted conditions agree with the hierarchy of positivity conditions presented by Mazziotti and Erdahl [Phys. Rev. A 63, 042113 (2001)]. The connection between positivity and the formal solution explains how constraining higher RDMs to be positive semidefinite improves the N representability of the 2-RDM and suggests using pieces of higher positivity conditions that computationally scale like the D condition. With the D, Q, and G conditions as well as pieces of higher positivity the electronic energies for Be, LiH, H 2 O, and BH are computed through a primal-dual interior-point algorithm for positive semidefinite programming. The variational method produces potential-energy surfaces that are highly accurate even far from the equilibrium geometry where single-reference perturbation-based methods often fail to produce realistic energies
Reduced-density-matrix theory and algebraic structures
International Nuclear Information System (INIS)
Kryachko, E.S.
1978-01-01
A survey of recent work on algebraic structures and reduced-density-matrix theory is presented. The approach leads to a method of classifying reduced density matrices and generalizes the notion of open and closed shells in many-body theory. 6 references
Possibility of Quantum Teleportation and the Reduced Density Matrix
Institute of Scientific and Technical Information of China (English)
朱红波; 曾谨言
2001-01-01
It is shown that only the maximally entangled two-particle (spin 1/2) states whose one-particle reduced density matrix is p (i) = (1/2)I2 can realize the teleportation of an arbitrary one-particle spin state. Based on this,to teleport an arbitrary k-particle spin state, one must prepare an N-particle entangled state whose k-particle (k ＜ N) reduced density matrix has the structure 2-kI2k (I2k being the 2k × 2k identity matrix). The N-particle Greenberger-Horne-Zeilinger states cannot realize the teleportation of an arbitrary k-particle (N＞k≥2) state,except for special states with only two components.
Spectral function from Reduced Density Matrix Functional Theory
Romaniello, Pina; di Sabatino, Stefano; Berger, Jan A.; Reining, Lucia
2015-03-01
In this work we focus on the calculation of the spectral function, which determines, for example, photoemission spectra, from reduced density matrix functional theory. Starting from its definition in terms of the one-body Green's function we derive an expression for the spectral function that depends on the natural occupation numbers and on an effective energy which accounts for all the charged excitations. This effective energy depends on the two-body as well as higher-order density matrices. Various approximations to this expression are explored by using the exactly solvable Hubbard chains.
Transition matrices and orbitals from reduced density matrix theory
Energy Technology Data Exchange (ETDEWEB)
Etienne, Thibaud [Université de Lorraine – Nancy, Théorie-Modélisation-Simulation, SRSMC, Boulevard des Aiguillettes 54506, Vandoeuvre-lès-Nancy (France); CNRS, Théorie-Modélisation-Simulation, SRSMC, Boulevard des Aiguillettes 54506, Vandoeuvre-lès-Nancy (France); Unité de Chimie Physique Théorique et Structurale, Université de Namur, Rue de Bruxelles 61, 5000 Namur (Belgium)
2015-06-28
In this contribution, we report two different methodologies for characterizing the electronic structure reorganization occurring when a chromophore undergoes an electronic transition. For the first method, we start by setting the theoretical background necessary to the reinterpretation through simple tensor analysis of (i) the transition density matrix and (ii) the natural transition orbitals in the scope of reduced density matrix theory. This novel interpretation is made more clear thanks to a short compendium of the one-particle reduced density matrix theory in a Fock space. The formalism is further applied to two different classes of excited states calculation methods, both requiring a single-determinant reference, that express an excited state as a hole-particle mono-excited configurations expansion, to which particle-hole correlation is coupled (time-dependent Hartree-Fock/time-dependent density functional theory) or not (configuration interaction single/Tamm-Dancoff approximation). For the second methodology presented in this paper, we introduce a novel and complementary concept related to electronic transitions with the canonical transition density matrix and the canonical transition orbitals. Their expression actually reflects the electronic cloud polarisation in the orbital space with a decomposition based on the actual contribution of one-particle excitations from occupied canonical orbitals to virtual ones. This approach validates our novel interpretation of the transition density matrix elements in terms of the Euclidean norm of elementary transition vectors in a linear tensor space. A proper use of these new concepts leads to the conclusion that despite the different principles underlying their construction, they provide two equivalent excited states topological analyses. This connexion is evidenced through simple illustrations of (in)organic dyes electronic transitions analysis.
Reduced density matrix functional theory at finite temperature
Energy Technology Data Exchange (ETDEWEB)
Baldsiefen, Tim
2012-10-15
Density functional theory (DFT) is highly successful in many fields of research. There are, however, areas in which its performance is rather limited. An important example is the description of thermodynamical variables of a quantum system in thermodynamical equilibrium. Although the finite-temperature version of DFT (FT-DFT) rests on a firm theoretical basis and is only one year younger than its brother, groundstate DFT, it has been successfully applied to only a few problems. Because FT-DFT, like DFT, is in principle exact, these shortcomings can be attributed to the difficulties of deriving valuable functionals for FT-DFT. In this thesis, we are going to present an alternative theoretical description of quantum systems in thermal equilibrium. It is based on the 1-reduced density matrix (1RDM) of the system, rather than on its density and will rather cumbersomly be called finite-temperature reduced density matrix functional theory (FT-RDMFT). Its zero-temperature counterpart (RDMFT) proved to be successful in several fields, formerly difficult to address via DFT. These fields include, for example, the calculation of dissociation energies or the calculation of the fundamental gap, also for Mott insulators. This success is mainly due to the fact that the 1RDM carries more directly accessible ''manybody'' information than the density alone, leading for example to an exact description of the kinetic energy functional. This sparks the hope that a description of thermodynamical systems employing the 1RDM via FT-RDMFT can yield an improvement over FT-DFT. Giving a short review of RDMFT and pointing out difficulties when describing spin-polarized systems initiates our work. We then lay the theoretical framework for FT-RDMFT by proving the required Hohenberg-Kohn-like theorems, investigating and determining the domain of FT-RDMFT functionals and by deriving several properties of the exact functional. Subsequently, we present a perturbative method to
Reduced density matrix functional theory at finite temperature
International Nuclear Information System (INIS)
Baldsiefen, Tim
2012-10-01
Density functional theory (DFT) is highly successful in many fields of research. There are, however, areas in which its performance is rather limited. An important example is the description of thermodynamical variables of a quantum system in thermodynamical equilibrium. Although the finite-temperature version of DFT (FT-DFT) rests on a firm theoretical basis and is only one year younger than its brother, groundstate DFT, it has been successfully applied to only a few problems. Because FT-DFT, like DFT, is in principle exact, these shortcomings can be attributed to the difficulties of deriving valuable functionals for FT-DFT. In this thesis, we are going to present an alternative theoretical description of quantum systems in thermal equilibrium. It is based on the 1-reduced density matrix (1RDM) of the system, rather than on its density and will rather cumbersomly be called finite-temperature reduced density matrix functional theory (FT-RDMFT). Its zero-temperature counterpart (RDMFT) proved to be successful in several fields, formerly difficult to address via DFT. These fields include, for example, the calculation of dissociation energies or the calculation of the fundamental gap, also for Mott insulators. This success is mainly due to the fact that the 1RDM carries more directly accessible ''manybody'' information than the density alone, leading for example to an exact description of the kinetic energy functional. This sparks the hope that a description of thermodynamical systems employing the 1RDM via FT-RDMFT can yield an improvement over FT-DFT. Giving a short review of RDMFT and pointing out difficulties when describing spin-polarized systems initiates our work. We then lay the theoretical framework for FT-RDMFT by proving the required Hohenberg-Kohn-like theorems, investigating and determining the domain of FT-RDMFT functionals and by deriving several properties of the exact functional. Subsequently, we present a perturbative method to iteratively construct
Reduced density-matrix functional theory: Correlation and spectroscopy.
Di Sabatino, S; Berger, J A; Reining, L; Romaniello, P
2015-07-14
In this work, we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the calculation of total energies, occupation numbers, removal/addition energies, and spectral functions. We use the exactly solvable Hubbard dimer at 1/4 and 1/2 fillings as test systems. This allows us to analyze the underlying physics and to elucidate the origin of the observed trends. For comparison, we also report the results of the GW approximation, where the self-energy functional is approximated, but no further hypothesis is made concerning the approximations of the observables. In particular, we focus on the atomic limit, where the two sites of the dimer are pulled apart and electrons localize on either site with equal probability, unless a small perturbation is present: this is the regime of strong electron correlation. In this limit, using the Hubbard dimer at 1/2 filling with or without a spin-symmetry-broken ground state allows us to explore how degeneracies and spin-symmetry breaking are treated in RDMFT. We find that, within the used approximations, neither in RDMFT nor in GW, the signature of strong correlation is present, when looking at the removal/addition energies and spectral function from the spin-singlet ground state, whereas both give the exact result for the spin-symmetry broken case. Moreover, we show how the spectroscopic properties change from one spin structure to the other.
Reduced density matrix functional theory via a wave function based approach
Energy Technology Data Exchange (ETDEWEB)
Schade, Robert; Bloechl, Peter [Institute for Theoretical Physics, Clausthal University of Technology, Clausthal (Germany); Pruschke, Thomas [Institute for Theoretical Physics, University of Goettingen, Goettingen (Germany)
2016-07-01
We propose a new method for the calculation of the electronic and atomic structure of correlated electron systems based on reduced density matrix functional theory (rDMFT). The density-matrix functional is evaluated on the fly using Levy's constrained search formalism. The present implementation rests on a local approximation of the interaction reminiscent to that of dynamical mean field theory (DMFT). We focus here on additional approximations to the exact density-matrix functional in the local approximation and evaluate their performance.
International Nuclear Information System (INIS)
Naftchi-Ardebili, Kasra; Hau, Nathania W.; Mazziotti, David A.
2011-01-01
Variational minimization of the ground-state energy as a function of the two-electron reduced density matrix (2-RDM), constrained by necessary N-representability conditions, provides a polynomial-scaling approach to studying strongly correlated molecules without computing the many-electron wave function. Here we introduce a route to enhancing necessary conditions for N representability through rank restriction of the 2-RDM. Rather than adding computationally more expensive N-representability conditions, we directly enhance the accuracy of two-particle (2-positivity) conditions through rank restriction, which removes degrees of freedom in the 2-RDM that are not sufficiently constrained. We select the rank of the particle-hole 2-RDM by deriving the ranks associated with model wave functions, including both mean-field and antisymmetrized geminal power (AGP) wave functions. Because the 2-positivity conditions are exact for quantum systems with AGP ground states, the rank of the particle-hole 2-RDM from the AGP ansatz provides a minimum for its value in variational 2-RDM calculations of general quantum systems. To implement the rank-restricted conditions, we extend a first-order algorithm for large-scale semidefinite programming. The rank-restricted conditions significantly improve the accuracy of the energies; for example, the percentages of correlation energies recovered for HF, CO, and N 2 improve from 115.2%, 121.7%, and 121.5% without rank restriction to 97.8%, 101.1%, and 100.0% with rank restriction. Similar results are found at both equilibrium and nonequilibrium geometries. While more accurate, the rank-restricted N-representability conditions are less expensive computationally than the full-rank conditions.
Reduced density matrix embedding. General formalism and inter-domain correlation functional.
Pernal, Katarzyna
2016-08-03
An embedding method for a one-electron reduced density matrix (1-RDM) is proposed. It is based on partitioning of 1-RDM into domains and describing each domain in the effective potential of the other ones. To assure N-representability of the total 1-RDM N-representability and strong-orthogonality conditions are imposed on the domains. The total energy is given as a sum of single-domain energies and domain-domain electron interaction contributions. Higher than two-body inter-domain interaction terms are neglected. The two-body correlation terms are approximated by deriving inter-domain correlation from couplings of density fluctuations of two domains at a time. Unlike in most density embedding methods kinetic energy is treated exactly and it is not required that densities pertaining to the domains are only weakly overlapping. We propose to treat each domain by a corrected perfect-pairing functional. On a few examples it is shown that the embedding reduced density matrix functional method (ERDMF) yields excellent results for molecules that are well described by a single Lewis structure even if strong static intra-domain or dynamic inter-domain correlation effects must be accounted for.
Avanzini, Francesco; Moro, Giorgio J
2018-03-15
The quantum molecular trajectory is the deterministic trajectory, arising from the Bohm theory, that describes the instantaneous positions of the nuclei of molecules by assuring the agreement with the predictions of quantum mechanics. Therefore, it provides the suitable framework for representing the geometry and the motions of molecules without neglecting their quantum nature. However, the quantum molecular trajectory is extremely demanding from the computational point of view, and this strongly limits its applications. To overcome such a drawback, we derive a stochastic representation of the quantum molecular trajectory, through projection operator techniques, for the degrees of freedom of an open quantum system. The resulting Fokker-Planck operator is parametrically dependent upon the reduced density matrix of the open system. Because of the pilot role played by the reduced density matrix, this stochastic approach is able to represent accurately the main features of the open system motions both at equilibrium and out of equilibrium with the environment. To verify this procedure, the predictions of the stochastic and deterministic representation are compared for a model system of six interacting harmonic oscillators, where one oscillator is taken as the open quantum system of interest. The undeniable advantage of the stochastic approach is that of providing a simplified and self-contained representation of the dynamics of the open system coordinates. Furthermore, it can be employed to study the out of equilibrium dynamics and the relaxation of quantum molecular motions during photoinduced processes, like photoinduced conformational changes and proton transfers.
Energy Technology Data Exchange (ETDEWEB)
Kapoor, Varun; Brics, Martins; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)
2013-07-01
Autoionizing states are inaccessible to time-dependent density functional theory (TDDFT) using known, adiabatic Kohn-Sham (KS) potentials. We determine the exact KS potential for a numerically exactly solvable model Helium atom interacting with a laser field that is populating an autoionizing state. The exact single-particle density of the population in the autoionizing state corresponds to that of the energetically lowest quasi-stationary state in the exact KS potential. We describe how this exact potential controls the decay by a barrier whose height and width allows for the density to tunnel out and decay with the same rate as in the ab initio time-dependent Schroedinger calculation. However, devising a useful exchange-correlation potential that is capable of governing such a scenario in general and in more complex systems is hopeless. As an improvement over TDDFT, time-dependent reduced density matrix functional theory has been proposed. We are able to obtain for the above described autoionization process the exact time-dependent natural orbitals (i.e., the eigenfunctions of the exact, time-dependent one-body reduced density matrix) and study the potentials that appear in the equations of motion for the natural orbitals and the structure of the two-body density matrix expanded in them.
Quasi-particle energy spectra in local reduced density matrix functional theory.
Lathiotakis, Nektarios N; Helbig, Nicole; Rubio, Angel; Gidopoulos, Nikitas I
2014-10-28
Recently, we introduced [N. N. Lathiotakis, N. Helbig, A. Rubio, and N. I. Gidopoulos, Phys. Rev. A 90, 032511 (2014)] local reduced density matrix functional theory (local RDMFT), a theoretical scheme capable of incorporating static correlation effects in Kohn-Sham equations. Here, we apply local RDMFT to molecular systems of relatively large size, as a demonstration of its computational efficiency and its accuracy in predicting single-electron properties from the eigenvalue spectrum of the single-particle Hamiltonian with a local effective potential. We present encouraging results on the photoelectron spectrum of molecular systems and the relative stability of C20 isotopes. In addition, we propose a modelling of the fractional occupancies as functions of the orbital energies that further improves the efficiency of the method useful in applications to large systems and solids.
Quasi-particle entanglement: redefinition of the vacuum and reduced density matrix approach
International Nuclear Information System (INIS)
Samuelsson, P; Sukhorukov, E V; Buettiker, M
2005-01-01
A scattering approach to entanglement in mesoscopic conductors with independent fermionic quasi-particles is discussed. We focus on conductors in the tunnelling limit, where a redefinition of the quasi-particle vacuum transforms the wavefunction from a many-body product state of non-interacting particles to a state describing entangled two-particle excitations out of the new vacuum (Samuelsson, Sukhorukov and Buettiker 2003 Phys. Rev. Lett. 91 157002). The approach is illustrated with two examples: (i) a normal-superconducting system, where the transformation is made between Bogoliubov-de Gennes quasi-particles and Cooper pairs, and (ii) a normal system, where the transformation is made between electron quasi-particles and electron-hole pairs. This is compared to a scheme where an effective two-particle state is derived from the manybody scattering state by a reduced density matrix approach
International Nuclear Information System (INIS)
Requist, Ryan; Pankratov, Oleg
2011-01-01
We prove that if the two-body terms in the equation of motion for the one-body reduced density matrix are approximated by ground-state functionals, the eigenvalues of the one-body reduced density matrix (occupation numbers) remain constant in time. This deficiency is related to the inability of such an approximation to account for relative phases in the two-body reduced density matrix. We derive an exact differential equation giving the functional dependence of these phases in an interacting Landau-Zener model and study their behavior in short- and long-time regimes. The phases undergo resonances whenever the occupation numbers approach the boundaries of the interval [0,1]. In the long-time regime, the occupation numbers display correlation-induced oscillations and the memory dependence of the functionals assumes a simple form.
Hoy, Erik P.; Mazziotti, David A.; Seideman, Tamar
2017-11-01
Can an electronic device be constructed using only a single molecule? Since this question was first asked by Aviram and Ratner in the 1970s [Chem. Phys. Lett. 29, 277 (1974)], the field of molecular electronics has exploded with significant experimental advancements in the understanding of the charge transport properties of single molecule devices. Efforts to explain the results of these experiments and identify promising new candidate molecules for molecular devices have led to the development of numerous new theoretical methods including the current standard theoretical approach for studying single molecule charge transport, i.e., the non-equilibrium Green's function formalism (NEGF). By pairing this formalism with density functional theory (DFT), a wide variety of transport problems in molecular junctions have been successfully treated. For some systems though, the conductance and current-voltage curves predicted by common DFT functionals can be several orders of magnitude above experimental results. In addition, since density functional theory relies on approximations to the exact exchange-correlation functional, the predicted transport properties can show significant variation depending on the functional chosen. As a first step to addressing this issue, the authors have replaced density functional theory in the NEGF formalism with a 2-electron reduced density matrix (2-RDM) method, creating a new approach known as the NEGF-RDM method. 2-RDM methods provide a more accurate description of electron correlation compared to density functional theory, and they have lower computational scaling compared to wavefunction based methods of similar accuracy. Additionally, 2-RDM methods are capable of capturing static electron correlation which is untreatable by existing NEGF-DFT methods. When studying dithiol alkane chains and dithiol benzene in model junctions, the authors found that the NEGF-RDM predicts conductances and currents that are 1-2 orders of magnitude below
Theophilou, Iris; Lathiotakis, Nektarios N; Helbig, Nicole
2018-03-21
We investigate the structure of the one-body reduced density matrix of three electron systems, i.e., doublet and quadruplet spin configurations, corresponding to the smallest interacting system with an open-shell ground state. To this end, we use configuration interaction (CI) expansions of the exact wave function in Slater determinants built from natural orbitals in a finite dimensional Hilbert space. With the exception of maximally polarized systems, the natural orbitals of spin eigenstates are generally spin dependent, i.e., the spatial parts of the up and down natural orbitals form two different sets. A measure to quantify this spin dependence is introduced and it is shown that it varies by several orders of magnitude depending on the system. We also study the ordering issue of the spin-dependent occupation numbers which has practical implications in reduced density matrix functional theory minimization schemes, when generalized Pauli constraints (GPCs) are imposed and in the form of the CI expansion in terms of the natural orbitals. Finally, we discuss the aforementioned CI expansion when there are GPCs that are almost "pinned."
Theophilou, Iris; Lathiotakis, Nektarios N.; Helbig, Nicole
2018-03-01
We investigate the structure of the one-body reduced density matrix of three electron systems, i.e., doublet and quadruplet spin configurations, corresponding to the smallest interacting system with an open-shell ground state. To this end, we use configuration interaction (CI) expansions of the exact wave function in Slater determinants built from natural orbitals in a finite dimensional Hilbert space. With the exception of maximally polarized systems, the natural orbitals of spin eigenstates are generally spin dependent, i.e., the spatial parts of the up and down natural orbitals form two different sets. A measure to quantify this spin dependence is introduced and it is shown that it varies by several orders of magnitude depending on the system. We also study the ordering issue of the spin-dependent occupation numbers which has practical implications in reduced density matrix functional theory minimization schemes, when generalized Pauli constraints (GPCs) are imposed and in the form of the CI expansion in terms of the natural orbitals. Finally, we discuss the aforementioned CI expansion when there are GPCs that are almost "pinned."
International Nuclear Information System (INIS)
SivaRanjan, Uppala; Ramachandran, Ramesh
2014-01-01
A quantum-mechanical model integrating the concepts of reduced density matrix and effective Hamiltonians is proposed to explain the multi-spin effects observed in rotational resonance (R 2 ) nuclear magnetic resonance (NMR) experiments. Employing this approach, the spin system of interest is described in a reduced subspace inclusive of its coupling to the surroundings. Through suitable model systems, the utility of our theory is demonstrated and verified with simulations emerging from both analytic and numerical methods. The analytic results presented in this article provide an accurate description/interpretation of R 2 experimental results and could serve as a test-bed for distinguishing coherent/incoherent effects in solid-state NMR
Energy Technology Data Exchange (ETDEWEB)
SivaRanjan, Uppala; Ramachandran, Ramesh, E-mail: rramesh@iisermohali.ac.in [Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Mohali, Sector 81, Manauli, P.O. Box-140306, Mohali, Punjab (India)
2014-02-07
A quantum-mechanical model integrating the concepts of reduced density matrix and effective Hamiltonians is proposed to explain the multi-spin effects observed in rotational resonance (R{sup 2}) nuclear magnetic resonance (NMR) experiments. Employing this approach, the spin system of interest is described in a reduced subspace inclusive of its coupling to the surroundings. Through suitable model systems, the utility of our theory is demonstrated and verified with simulations emerging from both analytic and numerical methods. The analytic results presented in this article provide an accurate description/interpretation of R{sup 2} experimental results and could serve as a test-bed for distinguishing coherent/incoherent effects in solid-state NMR.
Shenvi, Neil; van Aggelen, Helen; Yang, Yang; Yang, Weitao; Schwerdtfeger, Christine; Mazziotti, David
2013-08-07
Tensor hypercontraction is a method that allows the representation of a high-rank tensor as a product of lower-rank tensors. In this paper, we show how tensor hypercontraction can be applied to both the electron repulsion integral tensor and the two-particle excitation amplitudes used in the parametric 2-electron reduced density matrix (p2RDM) algorithm. Because only O(r) auxiliary functions are needed in both of these approximations, our overall algorithm can be shown to scale as O(r(4)), where r is the number of single-particle basis functions. We apply our algorithm to several small molecules, hydrogen chains, and alkanes to demonstrate its low formal scaling and practical utility. Provided we use enough auxiliary functions, we obtain accuracy similar to that of the standard p2RDM algorithm, somewhere between that of CCSD and CCSD(T).
Variational and robust density fitting of four-center two-electron integrals in local metrics
Reine, Simen; Tellgren, Erik; Krapp, Andreas; Kjærgaard, Thomas; Helgaker, Trygve; Jansik, Branislav; Høst, Stinne; Salek, Paweł
2008-09-01
Density fitting is an important method for speeding up quantum-chemical calculations. Linear-scaling developments in Hartree-Fock and density-functional theories have highlighted the need for linear-scaling density-fitting schemes. In this paper, we present a robust variational density-fitting scheme that allows for solving the fitting equations in local metrics instead of the traditional Coulomb metric, as required for linear scaling. Results of fitting four-center two-electron integrals in the overlap and the attenuated Gaussian damped Coulomb metric are presented, and we conclude that density fitting can be performed in local metrics at little loss of chemical accuracy. We further propose to use this theory in linear-scaling density-fitting developments.
Gueddida, Saber; Yan, Zeyin; Kibalin, Iurii; Voufack, Ariste Bolivard; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Gillon, Béatrice; Gillet, Jean-Michel
2018-04-28
In this paper, we propose a simple cluster model with limited basis sets to reproduce the unpaired electron distributions in a YTiO 3 ferromagnetic crystal. The spin-resolved one-electron-reduced density matrix is reconstructed simultaneously from theoretical magnetic structure factors and directional magnetic Compton profiles using our joint refinement algorithm. This algorithm is guided by the rescaling of basis functions and the adjustment of the spin population matrix. The resulting spin electron density in both position and momentum spaces from the joint refinement model is in agreement with theoretical and experimental results. Benefits brought from magnetic Compton profiles to the entire spin density matrix are illustrated. We studied the magnetic properties of the YTiO 3 crystal along the Ti-O 1 -Ti bonding. We found that the basis functions are mostly rescaled by means of magnetic Compton profiles, while the molecular occupation numbers are mainly modified by the magnetic structure factors.
Energy Technology Data Exchange (ETDEWEB)
Kozlowski, K.K.
2010-12-15
Starting from the form factor expansion in finite volume, we derive the multidimensional generalization of the so-called Natte series for the zero-temperature, time and distance dependent reduced density matrix in the non-linear Schroedinger model. This representation allows one to read-off straightforwardly the long-time/large-distance asymptotic behavior of this correlator. Our method of analysis reduces the complexity of the computation of the asymptotic behavior of correlation functions in the so-called interacting integrable models, to the one appearing in free fermion equivalent models. We compute explicitly the first few terms appearing in the asymptotic expansion. Part of these terms stems from excitations lying away from the Fermi boundary, and hence go beyond what can be obtained by using the CFT/Luttinger liquid based predictions. (orig.)
International Nuclear Information System (INIS)
Cooke, W.E.
1981-01-01
This paper addresses the study of two-electron Rydberg atoms. With Multichannel Quantum Defect Theory (MQDT), there is a technique for characterizing a spectra in terms of a small number of parameters. A survey of some important effects specific to two-electon Rydberg states, using primarily the alkaline earth atoms for examples, is made. The remainder of the paper deals with a discussion of the electron-electron interaction, including some of the basic points of MQDT. Energy exchange between two electrons is also addressed
Two-Electron Transfer Pathways.
Lin, Jiaxing; Balamurugan, D; Zhang, Peng; Skourtis, Spiros S; Beratan, David N
2015-06-18
The frontiers of electron-transfer chemistry demand that we develop theoretical frameworks to describe the delivery of multiple electrons, atoms, and ions in molecular systems. When electrons move over long distances through high barriers, where the probability for thermal population of oxidized or reduced bridge-localized states is very small, the electrons will tunnel from the donor (D) to acceptor (A), facilitated by bridge-mediated superexchange interactions. If the stable donor and acceptor redox states on D and A differ by two electrons, it is possible that the electrons will propagate coherently from D to A. While structure-function relations for single-electron superexchange in molecules are well established, strategies to manipulate the coherent flow of multiple electrons are largely unknown. In contrast to one-electron superexchange, two-electron superexchange involves both one- and two-electron virtual intermediate states, the number of virtual intermediates increases very rapidly with system size, and multiple classes of pathways interfere with one another. In the study described here, we developed simple superexchange models for two-electron transfer. We explored how the bridge structure and energetics influence multielectron superexchange, and we compared two-electron superexchange interactions to single-electron superexchange. Multielectron superexchange introduces interference between singly and doubly oxidized (or reduced) bridge virtual states, so that even simple linear donor-bridge-acceptor systems have pathway topologies that resemble those seen for one-electron superexchange through bridges with multiple parallel pathways. The simple model systems studied here exhibit a richness that is amenable to experimental exploration by manipulating the multiple pathways, pathway crosstalk, and changes in the number of donor and acceptor species. The features that emerge from these studies may assist in developing new strategies to deliver multiple
Spectroscopy of two-electron atoms
International Nuclear Information System (INIS)
Desesquelles, J.
1988-01-01
Spectroscopy of heliumlike ions is discussed putting emphasis on mid and high Z atoms. Experimental aspects of ion charge, excitation production, clean spectra, and precise wavelength measurement are detailed. Recent results obtained at several laboratories including Lyon, Argonne, Notre-Dame, Oxford, Berkeley, Darmstadt, Paris, are used to test the QED contributions and higher order relativistic corrections to two-electron atom energies. (orig.)
Timing analysis of two-electron photoemission
International Nuclear Information System (INIS)
Kheifets, A S; Ivanov, I A; Bray, Igor
2011-01-01
We predict a significant delay of two-electron photoemission from the helium atom after absorption of an attosecond XUV pulse. We establish this delay by solving the time-dependent Schroedinger equation and by subsequently tracing the field-free evolution of the two-electron wave packet. This delay can also be related to the energy derivative of the phase of the complex double-photoionization (DPI) amplitude which we evaluate by using the convergent close-coupling method. Our observations indicate that future attosecond time delay measurements on DPI of He can provide information on the absolute quantum phase and elucidate various mechanisms of this strongly correlated ionization process. (fast track communication)
Stark shifting two-electron quantum dot
International Nuclear Information System (INIS)
Dineykhan, M.; Zhaugasheva, S.A.; Duysebaeva, K.S.
2003-01-01
Advances in modern technology make it possible to create semiconducting nano-structures (quantum dot) in which a finite number of electrons are 'captured' in a bounded volume. A quantum dot is associated with a quantum well formed at the interface, between two finite-size semiconductors owing to different positions of the forbidden gaps on the energy scale in these semiconductors. The possibility of monitoring and controlling the properties of quantum dots attracts considerable attention to these objects, as a new elemental basis for future generations of computers. The quantum-mechanical effects and image potential play a significant role in the description of the formation mechanism quantum dot, and determined the confinement potential in a two-electron quantum dot only for the spherical symmetric case. In the present talk, we considered the formation dynamics of two-electron quantum dot with violation of spherical symmetry. So, we have standard Stark potential. The energy spectrum two-electron quantum dot were calculated. Usually Stark interactions determined the tunneling phenomena between quantum dots
Hyperpolarizabilities of one and two electron ions under strongly coupled plasma
International Nuclear Information System (INIS)
Sen, Subhrangsu; Mandal, Puspajit; Kumar Mukherjee, Prasanta; Fricke, Burkhard
2013-01-01
Systematic investigations on the hyperpolarizabilities of hydrogen and helium like ions up to nuclear charge Z = 7 under strongly coupled plasma environment have been performed. Variation perturbation theory has been adopted to evaluate such properties for the one and two electron systems. For the two electron systems coupled Hartree-Fock theory, which takes care of partial electron correlation effects, has been utilised. Ion sphere model of the strongly coupled plasma, valid for ionic systems only, has been adopted for estimating the effect of plasma environment on the hyperpolarizability. The calculated free ion hyperpolarizability for all the systems is in good agreement with the existing data. Under confinement hyperpolarizabilities of one and two electron ions show interesting trend with respect to plasma coupling strength.
Natural occupation numbers in two-electron quantum rings.
Tognetti, Vincent; Loos, Pierre-François
2016-02-07
Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.
Natural occupation numbers in two-electron quantum rings
Energy Technology Data Exchange (ETDEWEB)
Tognetti, Vincent, E-mail: vincent.tognetti@univ-rouen.fr [Normandy Univ., COBRA UMR 6014 & FR 3038, Université de Rouen, INSA Rouen, CNRS, 1 rue Tesniére, 76821 Mont Saint Aignan, Cedex (France); Loos, Pierre-François [Research School of Chemistry, Australian National University, Canberra ACT 2601 (Australia)
2016-02-07
Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.
Exact wave functions of two-electron quantum rings.
Loos, Pierre-François; Gill, Peter M W
2012-02-24
We demonstrate that the Schrödinger equation for two electrons on a ring, which is the usual paradigm to model quantum rings, is solvable in closed form for particular values of the radius. We show that both polynomial and irrational solutions can be found for any value of the angular momentum and that the singlet and triplet manifolds, which are degenerate, have distinct geometric phases. We also study the nodal structure associated with these two-electron states.
Regular perturbation theory for two-electron atoms
International Nuclear Information System (INIS)
Feranchuk, I.D.; Triguk, V.V.
2011-01-01
Regular perturbation theory (RPT) for the ground and excited states of two-electron atoms or ions is developed. It is shown for the first time that summation of the matrix elements from the electron-electron interaction operator over all intermediate states can be calculated in a closed form by means of the two-particle Coulomb Green's function constructed in the Letter. It is shown that the second order approximation of RPT includes the main part of the correlation energy both for the ground and excited states. This approach can be also useful for description of two-electron atoms in external fields. -- Highlights: → We develop regular perturbation theory for the two-electron atoms or ions. → We calculate the sum of the matrix elements over all intermediate states. → We construct the two-particle Coulomb Green's function.
Angular correlation in the two-electron continuum
International Nuclear Information System (INIS)
Kheifets, A. S.; Bray, I.
2006-01-01
Following absorption of a single photon, angles of simultaneous emission of two electrons from a He(n 1 S) atom become more correlated with increasing n. We find that the strength of this correlation is due to the two-electron continuum of the electron-impact ionization of the He + (ns) ion. The strength is determined by the width of the momentum profile of the ionic ns state but not the strength of the electron correlation in the He initial state. This can explain the increasing (over He) angular correlation strength found in double photoionization of targets such as Be, Ne, and H 2
On the exact spectra of two electrons confined by two-dimensional quantum dots
International Nuclear Information System (INIS)
Soldatov, A.V.; Bogolubov Jr, N.N.
2005-12-01
Applicability of the method of intermediate problems to investigation of the energy spectrum and eigenstates of a two- electron two-dimensional quantum dot (QD) formed by a parabolic confining potential is discussed. It is argued that the method of intermediate problems, which provides convergent improvable lower bound estimates for eigenvalues of linear half-bound Hermitian operators in Hilbert space, can be fused with the classical Rayleigh-Ritz variational method and stochastic variational method thus providing an efficient tool of verification of the results obtained so far by various analytical and numerical methods being of current usage for studies of quantum dot models. (author)
CMS: Simulated Higgs to two jets and two electrons
1997-01-01
This track is an example of simulated data modelled for the CMS detector on the Large Hadron Collider (LHC) at CERN, which will begin taking data in 2008. Here a Higgs boson is produced which decays into two jets of hadrons and two electrons. The lines represent the possible paths of particles produced by the proton-proton collision in the detector while the energy these particles deposit is shown in blue.
Electron correlation energy in confined two-electron systems
Energy Technology Data Exchange (ETDEWEB)
Wilson, C.L. [Chemistry Program, Centre College, 600 West Walnut Street, Danville, KY 40422 (United States); Montgomery, H.E., E-mail: ed.montgomery@centre.ed [Chemistry Program, Centre College, 600 West Walnut Street, Danville, KY 40422 (United States); Sen, K.D. [School of Chemistry, University of Hyderabad, Hyderabad 500 046 (India); Thompson, D.C. [Chemistry Systems and High Performance Computing, Boehringer Ingelheim Pharamaceuticals Inc., 900 Ridgebury Road, Ridgefield, CT 06877 (United States)
2010-09-27
Radial, angular and total correlation energies are calculated for four two-electron systems with atomic numbers Z=0-3 confined within an impenetrable sphere of radius R. We report accurate results for the non-relativistic, restricted Hartree-Fock and radial limit energies over a range of confinement radii from 0.05-10a{sub 0}. At small R, the correlation energies approach limiting values that are independent of Z while at intermediate R, systems with Z{>=}1 exhibit a characteristic maximum in the correlation energy resulting from an increase in the angular correlation energy which is offset by a decrease in the radial correlation energy.
Two Electron States in a Quantum Ring on a Sphere
International Nuclear Information System (INIS)
Kazaryan, Eduard M.; Shahnazaryan, Vanik A.; Sarkisyan, Hayk A.
2014-01-01
Two electron states in a quantum ring on a spherical surface are discussed. The problem is discussed within the frameworks of Russell–Saunders coupling scheme, that is, the spin–orbit coupling is neglected. Treating Coulomb interaction as a perturbation, the energy correction for different states is calculated. The dependence of the Coulomb interaction energy on external polar boundary angle of quantum ring is obtained. In analogue with the helium atom the concept of states exchange time is introduced, and its dependence on geometrical parameters of the ring is shown. (author)
Dynamics of two-electron excitations in helium
Energy Technology Data Exchange (ETDEWEB)
Caldwell, C.D.; Menzel, A.; Frigo, S.P. [Univ. of Central Florida, Orlando, FL (United States)] [and others
1997-04-01
Excitation of both electrons in helium offers a unique window for studying electron correlation at the most basic level in an atom in which these two electrons and the nucleus form a three-body system. The authors utilized the first light available at the U-8 undulator-SGM monochromator beamline to investigate the dynamic parameters, partial cross sections, differential cross sections, and photoelectron angular distribution parameters ({beta}), with a high resolving power for the photon beam and at the highly differential level afforded by the use of their electron spectrometer. In parallel, they carried out detailed calculations of the relevant properties by a theoretical approach that is based on the hyperspherical close-coupling method. Partial photoionization cross sections {sigma}{sub n}, and photoelectron angular distributions {beta}{sub n} were measured for all possible final ionic states He{sup +}(n) in the region of the double excitations N(K,T){sup A} up to the N=5 threshold. At a photon energy bandpass of 12 meV below the thresholds N=3, 4, and 5, this level of differentiation offers the most critical assessment of the dynamics of the two-electron excitations to date. The experimental data were seen to be very well described by the most advanced theoretical calculations.
Nonadiabatic two-electron transfer mediated by an irregular bridge
International Nuclear Information System (INIS)
Petrov, E.G.; Shevchenko, Ye.V.; May, V.
2004-01-01
Nonadiabatic two-electron transfer (TET) mediated by a linear molecular bridge is studied theoretically. Special attention is put on the case of a irregular distribution of bridge site energies as well as on the inter-site Coulomb interaction. Based on the unified description of electron transfer reactions [J. Chem. Phys. 115 (2001) 7107] a closed set of kinetic equations describing the TET process is derived. A reduction of this set to a single exponential donor-acceptor (D-A) TET is performed together with a derivation of an overall D-A TET rate. The latter contains a contribution of the stepwise as well as of the concerted route of D-A TET. The stepwise contribution is determined by two single-electron steps each of them associated with a sequential and a superexchange pathway. A two-electron unistep superexchange transition between the D and A forms the concerted contribution to the overall rate. Both contributions are analyzed in their dependency on the bridge length. The irregular distribution of the bridge site energies as well as the influence of the Coulomb interaction facilitates the D-A TET via a modification of the stepwise and the concerted part of the overall rate. At low temperatures and for short bridges with a single or two units the concerted contribution exceeds the stepwise contribution. If the bridge contains more than two units, the stepwise contribution dominates the overall rate
Complex dynamics in planar two-electron quantum dots
International Nuclear Information System (INIS)
Schroeter, Sebastian Josef Arthur
2013-01-01
Quantum dots play an important role in a wide range of recent experimental and technological developments. In particular they are promising candidates for realisations of quantum bits and further applications in quantum information theory. The harmonically confined Hooke's atom model is experimentally verified and separates in centre-of-mass and relative coordinates. Findings that are contradictory to this separability call for an extension of the model, in particular changing the confinement potential. In order to study effects of an anharmonic confinement potential on spectral properties of planar two-electron quantum dots a sophisticated numerical approach is developed. Comparison between the Helium atom, Hooke's atom and an anharmonic potential model are undertaken in order to improve the description of quantum dots. Classical and quantum features of complexity and chaos are investigated and used to characterise the dynamics of the system to be mixed regular-chaotic. Influence of decoherence can be described by quantum fidelity, which measures the effect of a perturbation on the time evolution. The quantum fidelity of eigenstates of the system depends strongly on the properties of the perturbation. Several methods for solving the time-dependent Schrödinger equation are implemented and a high level of accuracy for long time evolutions is achieved. The concept of offset entanglement, the entanglement of harmonic models in the noninteracting limit, is introduced. This concept explains different questions raised in the literature for harmonic quantum dot models, recently. It shows that only in the groundstate the electrons are not entangled in the fermionic sense. The applicability, validity, and origin of Hund's first rule in general quantum dot models is further addressed. In fact Hund's first rule is only applicable, and in this case also valid, for one pair of singlet and triplet states in Hooke's atom. For more realistic models of two-electron quantum dots an
Complex dynamics in planar two-electron quantum dots
Energy Technology Data Exchange (ETDEWEB)
Schroeter, Sebastian Josef Arthur
2013-06-25
Quantum dots play an important role in a wide range of recent experimental and technological developments. In particular they are promising candidates for realisations of quantum bits and further applications in quantum information theory. The harmonically confined Hooke's atom model is experimentally verified and separates in centre-of-mass and relative coordinates. Findings that are contradictory to this separability call for an extension of the model, in particular changing the confinement potential. In order to study effects of an anharmonic confinement potential on spectral properties of planar two-electron quantum dots a sophisticated numerical approach is developed. Comparison between the Helium atom, Hooke's atom and an anharmonic potential model are undertaken in order to improve the description of quantum dots. Classical and quantum features of complexity and chaos are investigated and used to characterise the dynamics of the system to be mixed regular-chaotic. Influence of decoherence can be described by quantum fidelity, which measures the effect of a perturbation on the time evolution. The quantum fidelity of eigenstates of the system depends strongly on the properties of the perturbation. Several methods for solving the time-dependent Schrödinger equation are implemented and a high level of accuracy for long time evolutions is achieved. The concept of offset entanglement, the entanglement of harmonic models in the noninteracting limit, is introduced. This concept explains different questions raised in the literature for harmonic quantum dot models, recently. It shows that only in the groundstate the electrons are not entangled in the fermionic sense. The applicability, validity, and origin of Hund's first rule in general quantum dot models is further addressed. In fact Hund's first rule is only applicable, and in this case also valid, for one pair of singlet and triplet states in Hooke's atom. For more realistic models of two-electron
Solitary Langmuir waves in two-electron temperature plasma
Prudkikh, V. V.; Prudkikh
2014-06-01
Nonlinear interaction of Langmuir and ion-acoustic waves in two-electron temperature plasma is investigated. New integrable wave interaction regime was discovered, this regime corresponds to the Langmuir soliton with three-hump amplitude, propagating with a speed close to the ion-sound speed in the conditions of strong non-isothermality of electronic components. It was discovered that besides the known analytical solution in the form of one- and two-hump waves, there exists a range of solutions in the form of solitary waves, which in the form of envelope has multi-peak structure and differs from the standard profiles described by hyperbolic functions. In case of fixed plasma parameters, different group velocities correspond to the waves with different number of peaks. It is found that the Langmuir wave package contains both even and uneven numbers of oscillations. Low-frequency potential here has uneven number of peaks. Interrelation of obtained and known earlier results are also discussed.
Dimensional perturbation theory for the two-electron atom
International Nuclear Information System (INIS)
Goodson, D.Z.
1987-01-01
Perturbation theory in δ = 1/D, where D is the dimensionality of space, is applied to the two-electron atom. In Chapter 1 an efficient procedure for calculating the coefficients of the perturbation series for the ground-state energy is developed using recursion relations between the moments of the coordinate operators. Results through tenth order are presented. The series is divergent, but Pade summation gives results comparable in accuracy to the best configuration-interaction calculations. The singularity structure of the Pade approximants confirms the hypothesis that the energy as a function of δ has an infinite sequence of poles on the negative real axis that approaches an essential singularity at δ = O. The essential singularity causes the divergence of the perturbation series. There are also two poles at δ = 1 that slow the asymptotic convergence of the low-order terms. In Chapter 2, various techniques are demonstrated for removing the effect of these poles, and accurate results are thereby obtained, even at very low order. In Chapter 3, the large D limit of the correlation energy (CE) is investigated. In the limit D → infinity it is only 35% smaller than at D = 3. It can be made to vanish in the limit by modifying the Hartree-Fock (HF) wavefunction. In Chapter 4, perturbation theory is applied to the Hooke's-law model of the atom. Prospects for treating more-complicated systems are briefly discussed
Theoretical description of high-lying two-electrons states
International Nuclear Information System (INIS)
Greene, C.H.; Cavagnero, M.; Sadeghpour, H.R.
1993-01-01
Within the past two years, experiments on high-lying doubly-excited states in He and H- have shown spectra at energies near excited hydrogenic thresholds having principal quantum numbers in the range N=5--9. While they display some nontrivial complexities, the spectra are tremendously simpler than might be anticipated on the basis of independent electron models, in that only a small fraction of the total number of anticipated resonances are observed experimentally. Moreover, for principal quantum number N that are not too high, specifically N - , the resonance positions are described accurately by adiabatic calculations using hyperspherical coordinates and can be parametrized by a remarkably simple two-electron Rydberg formula. The observed propensity for excitation of only a small subset of the possible resonance states has been codified by several groups into approximate selection rules based on alternative (but apparently equivalent) classification schemes. Comparatively few attempts have been made at quantitative tests of the validity of these rules. The present review describes recent efforts to quantify their accuracy and limitations using R-matrix and quantum defect techniques, and Smith's delay-time matrix. Prospensity rules for exciting different degrees of freedom are found to differ greatly in their degree of validity
Comparison of a two electron with a two charged boson variational ...
African Journals Online (AJOL)
The results show only slight differences between the cases of the electrons and bosons. The implication that there is possibility of obtaining both condensates from the Hubbard model is then discussed in relation to superconductivity. Keywords: Bose Einstein condensation, superconductivity, Hubbard model, electrons, ...
Two-electron photoionization cross sections at high energies
International Nuclear Information System (INIS)
Amusia, M.Ya.; Krivec, R.; Mandelzweig, V.B.
2003-01-01
Double and single electron photoionization cross sections and their ratios at high and ultra-relativistic energies are calculated for H - , He and helium-like ions in ground and excited states including triplet states. The ratios contain shake-off and quasi-free terms. A high precision non-variational wave function is used. The quasi-free mechanism increases the ratios impressively: for He we get 0.0762 instead of 0.0164 in the non-relativistic case. Ratios are inversely proportional to Z 2 , with a factor increasing from 0.094 in the nonrelativistic to 0.595 in the ultra-relativistic limit. (author)
Calculation of the two-electron Darwin term using explicitly correlated wave functions
International Nuclear Information System (INIS)
Middendorf, Nils; Höfener, Sebastian; Klopper, Wim; Helgaker, Trygve
2012-01-01
Graphical abstract: The two-electron Darwin term is computed analytically at the MP2-F12 level of theory using density fitted integrals. Highlights: ► Two-electron Darwin term computed analytically at the MP2-F12 level. ► Darwin two-electron integrals computed using density fitting techniques. ► Two-electron Darwin term dominated by singlet pair contributions. ► Much improved basis set convergence is achieved with F12 methods. ► Interference correction works well for the two-electron Darwin term. - Abstract: This article is concerned with the calculation of the two-electron Darwin term (D2). At the level of explicitly correlated second-order perturbation theory (MP2-F12), the D2 term is obtained as an analytic energy derivative; at the level of explicitly correlated coupled-cluster theory, it is obtained from finite differences. To avoid the calculation of four-center integrals, a density-fitting approximation is applied to the D2 two-electron integrals without loss of accuracy, even though the absolute value of the D2 term is typically about 0.1 mE h . Explicitly correlated methods provide a qualitatively correct description of the short-range region around the Coulomb hole, even for small orbital basis sets. Therefore, explicitly correlated wave functions remedy the otherwise extremely slow convergence of the D2 contribution with respect to the basis-set size, yielding more accurate results than those obtained by two-point basis-set extrapolation. Moreover, we show that the interference correction of Petersson’s complete-basis-set model chemistry can be used to compute a D2 basis-set correction at the MP2-F12 level to improve standard coupled-cluster singles-and-doubles results.
1,3Do and 1,3Pe states of two electron atoms under Debye plasma screening
International Nuclear Information System (INIS)
Saha, Jayanta K.; Bhattacharyya, S.; Mukherjee, T.K.; Mukherjee, P.K.
2010-01-01
Extensive non-relativistic variational calculations for estimating the energy values of 2pnd( 1,3 D o ) states [n=3-6] of two electron atoms (He, Li + ,Be 2+ ) and 2pnp( 1 P e )[n=3-8] and 2pnp( 3 P e ) states [n=2-7] of Be 2+ under weakly coupled plasma screening have been performed using explicitly correlated Hylleraas type basis. The modified energy eigenvalues of 1,3 P e states arising from two p electrons of Be 2+ ion and 1,3 D o states due to 2pnd configuration of Li + and Be 2+ ion in the Debye plasma environment are being reported for the first time. The effect of plasma has been incorporated through the Debye screening model. The system tends towards gradual instability and the number of bound states reduces with increasing plasma coupling strength. The wavelengths for 2pn ' p( 1 P e )[n ' =3-8]→2pnd( 1 D o )[n=3-6] and 2pn ' p( 3 P e )[n ' =2-8]→2pnd( 3 D o )[n=3-6] transitions in plasma embedded two electron atoms have also been reported.
Binding of two-electron metastable states in semiconductor quantum dots under a magnetic field
Garagiola, Mariano; Pont, Federico M.; Osenda, Omar
2018-04-01
Applying a strong enough magnetic field results in the binding of few-electron resonant states. The mechanism was proposed many years ago but its verification in laboratory conditions is far more recent. In this work we study the binding of two-electron resonant states. The electrons are confined in a cylindrical quantum dot which is embedded in a semiconductor wire. The geometry considered is similar to the one used in actual experimental setups. The low-energy two-electron spectrum is calculated numerically from an effective-mass approximation Hamiltonian modelling the system. Methods for binding threshold calculations in systems with one and two electrons are thoroughly studied; in particular, we use quantum information quantities to assess when the strong lateral confinement approximation can be used to obtain reliable low-energy spectra. For simplicity, only cases without bound states in the absence of an external field are considered. Under these conditions, the binding threshold for the one-electron case is given by the lowest Landau energy level. Moreover, the energy of the one-electron bounded resonance can be used to obtain the two-electron binding threshold. It is shown that for realistic values of the two-electron model parameters it is feasible to bind resonances with field strengths of a few tens of tesla.
ATLAS proton-proton event containing two electrons and two muons
ATLAS Collaboration
2011-01-01
An event with two identified muons and two identified electrons from a proton- proton collision in ATLAS. This event is consistent with coming from two Z particles decaying: one Z decays to two muons, the other to two electrons. Such events are produced by Standard Model processes without Higgs particles. They are also a possible signature for Higgs particle production, but many events must be analysed together in order to tell if there is a Higgs signal. The two muons are picked out as red tracks penetrating right through the detector. The two electrons are picked out as green tracks in the central, inner detector, matching narrow green clusters of energy in the barrel part of the calorimeters. The inset at the bottom right shows a map of the energy seen in the detector: the two big yellow spikes correspond to the two electrons.
Quantum ballistic transport by interacting two-electron states in quasi-one-dimensional channels
Energy Technology Data Exchange (ETDEWEB)
Huang, Danhong [Air Force Research Laboratory, Space Vehicles Directorate, Kirtland Air Force Base, New Mexico 87117 (United States); Center for High Technology Materials, University of New Mexico, 1313 Goddard St SE, Albuquerque, New Mexico 87106 (United States); Gumbs, Godfrey [Center for High Technology Materials, University of New Mexico, 1313 Goddard St SE, Albuquerque, New Mexico 87106 (United States); Abranyos, Yonatan [Department of Physics and Astronomy, Hunter College of the City University of New York, 695 Park Avenue, New York, New York 10065 (United States); Pepper, Michael; Kumar, Sanjeev [Department of Electronic and Electrical Engineering, University College London, London, WC1E 7JE (United Kingdom); London Centre for Nanotechnology, 17-19 Gordon Street, London, WC1H 0AH (United Kingdom)
2015-11-15
For quantum ballistic transport of electrons through a short conduction channel, the role of Coulomb interaction may significantly modify the energy levels of two-electron states at low temperatures as the channel becomes wide. In this regime, the Coulomb effect on the two-electron states is calculated and found to lead to four split energy levels, including two anticrossing-level and two crossing-level states. Moreover, due to the interplay of anticrossing and crossing effects, our calculations reveal that the ground two-electron state will switch from one anticrossing state (strong confinement) to a crossing state (intermediate confinement) as the channel width gradually increases and then back to the original anticrossing state (weak confinement) as the channel width becomes larger than a threshold value. This switching behavior leaves a footprint in the ballistic conductance as well as in the diffusion thermoelectric power of electrons. Such a switching is related to the triple spin degeneracy as well as to the Coulomb repulsion in the central region of the channel, which separates two electrons away and pushes them to different channel edges. The conductance reoccurrence region expands from the weak to the intermediate confinement regime with increasing electron density.
New method of ionization energy calculation for two-electron ions
International Nuclear Information System (INIS)
Ershov, D.K.
1997-01-01
A new method for calculation of the ionization energy of two-electron ions is proposed. The method is based on the calculation of the energy of second electron interaction with the field of an one-electron ion the potential of which is well known
An exciton approach to the excited states of two electron atoms. I Formalism and interpretation
International Nuclear Information System (INIS)
Schipper, P.E.
1985-01-01
The exciton model is formally applied to a description of the excited states of two electron atoms with the explicit inclusion of exchange. The model leads to a conceptually simple framework for the discussion of the electronic properties of the archetypical atomic electron pair
Bridge mediated two-electron transfer reactions: Analysis of stepwise and concerted pathways
International Nuclear Information System (INIS)
Petrov, E.G.; May, V.
2004-01-01
A theory of nonadiabatic donor (D)-acceptor (A) two-electron transfer (TET) mediated by a single regular bridge (B) is developed. The presence of different intermediate two-electron states connecting the reactant state D -- BA with the product state DBA -- results in complex multiexponential kinetics. The conditions are discussed at which a reduction to two-exponential as well as single-exponential kinetics becomes possible. For the latter case the rate K TET is calculated, which describes the bridge-mediated reaction as an effective two-electron D-A transfer. In the limit of small populations of the intermediate TET states D - B - A, DB -- A, D - BA - , and DB - A - , K TET is obtained as a sum of the rates K TET (step) and K TET (sup) . The first rate describes stepwise TET originated by transitions of a single electron. It starts at D -- BA and reaches DBA -- via the intermediate state D - BA - . These transitions cover contributions from sequential as well as superexchange reactions all including reduced bridge states. In contrast, a specific two-electron superexchange mechanism from D -- BA to DBA -- defines K TET (sup) . An analytic dependence of K TET (step) and K TET (sup) on the number of bridging units is presented and different regimes of D-A TET are studied
Are we ready to test QED in two-electron ions
International Nuclear Information System (INIS)
Ermolaev, A.M.
1981-01-01
The great improvement on the accuracy of the measured transition intervals in two-electron ions achieved recently is discussed with reference to reports of Berry (ANL) and Silver (Oxford) on the precision determination of the 2s 3 S 1 - 2p 3 P/sub J/, J = 0, and 2, intervals in the ions with intermediate Z
Observation and spectroscopy of a two-electron Wigner molecule in an ultraclean carbon nanotube
DEFF Research Database (Denmark)
Pecker, S.; Kuemmeth, Ferdinand; Secchi, A.
2013-01-01
Two electrons on a string form a simple model system where Coulomb interactions are expected to play an interesting role. In the presence of strong interactions, these electrons are predicted to form a Wigner molecule, separating to the ends of the string. This spatial structure is believed to be...
Two-electron Rabi oscillations in real-time time-dependent density-functional theory
International Nuclear Information System (INIS)
Habenicht, Bradley F.; Tani, Noriyuki P.; Provorse, Makenzie R.; Isborn, Christine M.
2014-01-01
We investigate the Rabi oscillations of electrons excited by an applied electric field in several simple molecular systems using time-dependent configuration interaction (TDCI) and real-time time-dependent density-functional theory (RT-TDDFT) dynamics. While the TDCI simulations exhibit the expected single-electron Rabi oscillations at a single resonant electric field frequency, Rabi oscillations in the RT-TDDFT simulations are a two-electron process. The existence of two-electron Rabi oscillations is determined both by full population inversion between field-free molecular orbitals and the behavior of the instantaneous dipole moment during the simulations. Furthermore, the Rabi oscillations in RT-TDDFT are subject to an intensity threshold of the electric field, below which Rabi oscillations do not occur and above which the two-electron Rabi oscillations occur at a broad range of frequencies. It is also shown that at field intensities near the threshold intensity, the field frequency predicted to induce Rabi oscillations by linear response TDDFT only produces detuned Rabi oscillations. Instead, the field frequency that yields the full two-electron population inversion and Rabi oscillation behavior is shown to be the average of single-electron transition frequencies from the ground S 0 state and the doubly-excited S 2 state. The behavior of the two-electron Rabi oscillations is rationalized via two possible models. The first model is a multi-photon process that results from the electric field interacting with the three level system such that three level Rabi oscillations may occur. The second model suggests that the mean-field nature of RT-TDDFT induces paired electron propagation
International Nuclear Information System (INIS)
March, N.H.
2002-08-01
In early work, Dawson and March [J. Chem. Phys. 81, 5850 (1984)] proposed a local energy method for treating both Hartree-Fock and correlated electron theory. Here, an exactly solvable model two-electron atom with pure harmonic interactions is treated in its ground state in the above context. A functional relation between the kinetic energy density t(r) at the origin r=0 and the electron density p(r) at the same point then emerges. The same approach is applied to the Hookean atom; in which the two electrons repel with Coulombic energy e 2 /r 12 , with r 12 the interelectronic separation, but are still harmonically confined. Again the kinetic energy density t(r) is the focal point, but now generalization away from r=0 is also effected. Finally, brief comments are added about He-like atomic ions in the limit of large atomic number. (author)
Photoelectron spectra as a probe of double-core resonsance in two-electron atoms
International Nuclear Information System (INIS)
Grobe, R.; Haan, S.L.; Eberly, J.H.
1996-01-01
The authors calculate photoelectron spectra for a two-electron atom under the influence of two external driving fields, using an essential states formalism. They focus on the regime of so-called coherence transfer, in which electron-electron correlation transfers field-induced photo-coherence from one electron to the other. In the case studied here, two laser fields are resonant with coupled atomic transitions, in the manner familiar from three-level dark-state spectroscopy. Dynamical two electron effects are monitored via the photoelectron energy spectrum. The authors show that the distribution of the photoelectron energies can be singly, doubly or triply peaked depending on the relative laser intensities. The electron spectra are independent of the turn-on sequence of the fields
Wave functions and two-electron probability distributions of the Hooke's-law atom and helium
International Nuclear Information System (INIS)
O'Neill, Darragh P.; Gill, Peter M. W.
2003-01-01
The Hooke's-law atom (hookium) provides an exactly soluble model for a two-electron atom in which the nuclear-electron Coulombic attraction has been replaced by a harmonic one. Starting from the known exact position-space wave function for the ground state of hookium, we present the momentum-space wave function. We also look at the intracules, two-electron probability distributions, for hookium in position, momentum, and phase space. These are compared with the Hartree-Fock results and the Coulomb holes (the difference between the exact and Hartree-Fock intracules) in position, momentum, and phase space are examined. We then compare these results with analogous results for the ground state of helium using a simple, explicitly correlated wave function
Electron acoustic solitary waves in unmagnetized two electron population dense plasmas
International Nuclear Information System (INIS)
Mahmood, S.; Masood, W.
2008-01-01
The electron acoustic solitary waves are studied in unmagnetized two population electron quantum plasmas. The quantum hydrodynamic model is employed with the Sagdeev potential approach to describe the arbitrary amplitude electron acoustic waves in a two electron population dense Fermi plasma. It is found that hot electron density hump structures are formed in the subsonic region in such type of quantum plasmas. The wave amplitude as well as the width of the soliton are increased with the increase of percentage presence of cold (thinly populated) electrons in a multicomponent quantum plasma. It is found that an increase in quantum diffraction parameter broadens the nonlinear structure. Furthermore, the amplitude of the nonlinear electron acoustic wave is found to increase with the decrease in Mach number. The numerical results are also presented to understand the formation of solitons in two electron population Fermi plasmas.
Dynamical localization of two electrons in triple-quantum-dot shuttles
International Nuclear Information System (INIS)
Qu, Jinxian; Duan, Suqing; Yang, Ning
2012-01-01
The dynamical localization phenomena in two-electron quantum-dot shuttles driven by an ac field have been investigated and analyzed by the Floquet theory. The dynamical localization occurs near the anti-crossings in Floquet eigenenergy spectrum. The oscillation of the quantum-dot shuttles may increase the possibility of the dynamical localization. Especially, even if the two electrons are initialized in two neighbor dots, they can be localized there for appropriate intensity of the driven field. The studies may help the understanding of dynamical localization in electron shuttles and expand the application potential of nanoelectromechanical devices. -- Highlights: ► The dynamical localization in electron shuttle is studied by Floquet theory. ► There is a relation between quasi-energy anti-crossings and dynamical localization. ► The oscillation of quantum dot increases the dynamical localization. ► Even the electrons are initialized in different dots, the localization can occur.
Exact exchange-correlation potentials of singlet two-electron systems
Ryabinkin, Ilya G.; Ospadov, Egor; Staroverov, Viktor N.
2017-10-01
We suggest a non-iterative analytic method for constructing the exchange-correlation potential, v XC ( r ) , of any singlet ground-state two-electron system. The method is based on a convenient formula for v XC ( r ) in terms of quantities determined only by the system's electronic wave function, exact or approximate, and is essentially different from the Kohn-Sham inversion technique. When applied to Gaussian-basis-set wave functions, the method yields finite-basis-set approximations to the corresponding basis-set-limit v XC ( r ) , whereas the Kohn-Sham inversion produces physically inappropriate (oscillatory and divergent) potentials. The effectiveness of the procedure is demonstrated by computing accurate exchange-correlation potentials of several two-electron systems (helium isoelectronic series, H2, H3 + ) using common ab initio methods and Gaussian basis sets.
Space-group approach to two-electron states in unconventional superconductors
International Nuclear Information System (INIS)
Yarzhemsky, V. G.
2008-01-01
The direct application of the space-group representation theory, makes possible to obtain limitations for the symmetry of SOP on lines and planes of symmetry in one-electron Brillouin zone. In the case of highly symmetric UPt 3 only theoretical nodal structure of IR E 2u is in agreement with all the experimental results. On the other hand, in the case of high-T c superconductors the two electron description of Cooper pairs in D 2h symmetry is not sufficient to describe experimental nodal structure. It was shown that in this case, the nodal structure is the result of underlying interactions between two-electron states and hidden symmetry D-4 h . (author)
Two electron response to an intense x-ray free electron laser pulse
International Nuclear Information System (INIS)
Moore, L R; Parker, J S; Meharg, K J; Armstrong, G S J; Taylor, K T
2009-01-01
New x-ray free electron lasers (FELs) promise an ultra-fast ultra-intense regime in which new physical phenomena, such as double core hole formation in at atom, should become directly observable. Ahead of x-ray FEL experiments, an initial key task is to theoretically explore such fundamental laser-atom interactions and processes. To study the response of a two-electron positive ion to an intense x-ray FEL pulse, our theoretical approach is a direct numerical integration, incorporating non-dipole Hamiltonian terms, of the full six-dimensional time-dependent Schroedinger equation. We present probabilities of double K-shell ionization in the two-electron positive ions Ne 8+ and Ar 16+ exposed to x-ray FEL pulses with frequencies in the range 50 au to 300 au and intensities in the range 10 17 to 10 22 W/cm 2 .
Two electron response to an intense x-ray free electron laser pulse
Energy Technology Data Exchange (ETDEWEB)
Moore, L R; Parker, J S; Meharg, K J; Armstrong, G S J; Taylor, K T, E-mail: l.moore@qub.ac.u [DAMTP, David Bates Building, Queen' s University Belfast, Belfast, BT7 1NN (United Kingdom)
2009-11-01
New x-ray free electron lasers (FELs) promise an ultra-fast ultra-intense regime in which new physical phenomena, such as double core hole formation in at atom, should become directly observable. Ahead of x-ray FEL experiments, an initial key task is to theoretically explore such fundamental laser-atom interactions and processes. To study the response of a two-electron positive ion to an intense x-ray FEL pulse, our theoretical approach is a direct numerical integration, incorporating non-dipole Hamiltonian terms, of the full six-dimensional time-dependent Schroedinger equation. We present probabilities of double K-shell ionization in the two-electron positive ions Ne{sup 8+} and Ar{sup 16+} exposed to x-ray FEL pulses with frequencies in the range 50 au to 300 au and intensities in the range 10{sup 17} to 10{sup 22} W/cm{sup 2}.
Energy Technology Data Exchange (ETDEWEB)
Zhang, Peng; Yuly, Jonathon L.; Lubner, Carolyn E. [National Renewable Energy Laboratory, Golden, Colorado 80401, United States; Mulder, David W. [National Renewable Energy Laboratory, Golden, Colorado 80401, United States; King, Paul W. [National Renewable Energy Laboratory, Golden, Colorado 80401, United States; Peters, John W. [Institute; Beratan, David N. [Department
2017-08-23
How can proteins drive two electrons from a redox active donor onto two acceptors at very different potentials and distances? And how can this transaction be conducted without dissipating very much energy or violating the laws of thermodynamics? Nature appears to have addressed these challenges by coupling thermodynamically uphill and downhill electron transfer reactions, using two-electron donor cofactors that have very different potentials for the removal of the first and second electron. Although electron bifurcation is carried out with near perfection from the standpoint of energy conservation and electron delivery yields, it is a biological energy transduction paradigm that has only come into focus recently. This Account provides an exegesis of the biophysical principles that underpin electron bifurcation.
International Nuclear Information System (INIS)
Ho, Yew Kam; Lin, Chien-Hao
2015-01-01
In this work, we study the quantum entanglement for doubly excited resonance states in two-electron atomic systems such as the H - and Ps - ions and the He atom by using highly correlated Hylleraas type functions The resonance states are determined by calculation of density of resonance states with the stabilization method. The spatial (electron-electron orbital) entanglement entropies (linear and von Neumann) for the low-lying doubly excited states are quantified using the Schmidt-Slater decomposition method. (paper)
A simple parameter-free wavefunction for the ground state of two-electron atoms
International Nuclear Information System (INIS)
Ancarani, L U; Rodriguez, K V; Gasaneo, G
2007-01-01
We propose a simple and pedagogical wavefunction for the ground state of two-electron atoms which (i) is parameter free (ii) satisfies all two-particle cusp conditions (iii) yields reasonable ground-state energies, including the prediction of a bound state for H - . The mean energy, and other mean physical quantities, is evaluated analytically. The simplicity of the result can be useful as an easy-to-use wavefunction when testing collision models
Evidence for Single Metal Two Electron Oxidative Addition and Reductive Elimination at Uranium
Gardner, Benedict M; Kefalidis, Christos E; Lu, Erli; Patel, Dipti; Mcinnes, Eric; Tuna, Floriana; Wooles, Ashley; Maron, Laurent; Liddle, Stephen
2017-01-01
Reversible single-metal two-electron oxidative addition and reductive elimination are common fundamental reactions for transition metals that underpin major catalytic transformations. However, these reactions have never been observed together in the f-block because these metals exhibit irreversible one- or multi-electron oxidation or reduction reactions. Here, we report that azobenzene oxidises sterically and electronically unsaturated uranium(III) complexes to afford a uranium(V)-imido compl...
Ion emission from laser-produced plasmas with two electron temperatures
International Nuclear Information System (INIS)
Wickens, L.M.; Allen, J.E.; Rumsby, P.T.
1978-01-01
An analytic theory for the expansion of a laser-produced plasma with two electron temperatures is presented. It is shown that from the ion-emission velocity spectrum such relevant parameters as the hot- to -cold-electron density ratio, the absolute hot- and cold-electron temperatures, and a sensitive measure of hot- and cold-electron temperature ratio can be deduced. A comparison with experimental results is presented
King, Andrew W; Baskerville, Adam L; Cox, Hazel
2018-03-13
An implementation of the Hartree-Fock (HF) method using a Laguerre-based wave function is described and used to accurately study the ground state of two-electron atoms in the fixed nucleus approximation, and by comparison with fully correlated (FC) energies, used to determine accurate electron correlation energies. A variational parameter A is included in the wave function and is shown to rapidly increase the convergence of the energy. The one-electron integrals are solved by series solution and an analytical form is found for the two-electron integrals. This methodology is used to produce accurate wave functions, energies and expectation values for the helium isoelectronic sequence, including at low nuclear charge just prior to electron detachment. Additionally, the critical nuclear charge for binding two electrons within the HF approach is calculated and determined to be Z HF C =1.031 177 528.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Author(s).
Doubly excited 3Pe resonance states of two-electron positive ions in Debye plasmas
International Nuclear Information System (INIS)
Hu, Xiao-Qing; Wang, Yang; Kar, Sabyasachi; Jiang, Zishi; Jiang, Pinghui
2015-01-01
We investigate the doubly excited 3 P e resonance states of two-electron positive ions Li + , Be 2+ , B 3+ , and C 4+ by employing correlated exponential wave functions. In the framework of the stabilization method, we calculate two series (3pnp and 3dnd) of 3 P e resonances below the N = 3 threshold. The 3 P e resonance parameters (resonance energies and widths) are reported for the first time as a function of the screening parameter. For free-atomic cases, comparisons are made with the reported results and few resonance states are reported for the first time
Potential Formation in Front of an Electron Emitting Electrode in a Two-Electron Temperature Plasma
International Nuclear Information System (INIS)
Gyergyek, T.; Cercek, M.; Erzen, D.
2003-01-01
Plasma potential formation in the pre-sheath region of a floating electron emitting electrode (collector) is studied theoretically in a two-electron-temperature plasma using a static kinetic plasma-sheath model. Dependence of the collector floating potential, the plasma potential in the pre-sheath region, and the critical emission coefficient on the hot electron density and temperature is calculated. It is found that for high hot to cool electron temperature ratio a double layer like solutions exist in a certain range of hot to cool electron densities
Two-electron states in double quantum dot in direct electric field
International Nuclear Information System (INIS)
Burdov, V.A.
2001-01-01
One determined analytically the wave functions of stationary states and the spectrum of two-electron system in symmetric binary quantum point. It is shown that in the normal state at the absence of external electric field the electrons due to the Coulomb blockade can not be collectively in one quantum point. In the external electric field the situation changes. When a certain critical value of field intensity is reached the probability of detection of both electrons in one quantum point by a jump increases from zero up to 1 [ru
Impurity with two electrons in the spherical quantum dot with Unite confinement potential
International Nuclear Information System (INIS)
Baghdasaryan, D A; Ghaltaghchyan, H Ts; Kazaryan, E M; Sarkisyan, H A
2016-01-01
Two-electron states in a spherical QD with the hydrogenic impurity located in the center and with a finite height confinement potential barrier are investigated. The effective mass mismatch have been taken into account. The dependence of ground state energy and Coulomb electron-electron interaction energy correction on the QD size is studied. The problem of the state exchange time control in QD is discussed, taking into account the spins of the electrons in the Russell-Saunders approximation. The effect of quantum emission has been shown. (paper)
Two-electron excitation to Rydberg levels in fast I6+ on hydrogen collisions
International Nuclear Information System (INIS)
Liao, C.; Hagmann, S.; Zouros, T.J.M.; Montenegro, E.C.; Toth, G.; Richard, P.; Grabbe, S.; Bhalla, C.P.
1995-01-01
The emission of electrons in the forward direction in collisions of 0.3 MeV/u I 6+ with H 2 has been studied, and strong autoionization peaks are observed on the shoulder of the cusp peak. The energies of these autoionization lines in the projectile rest frame are determined by high-resolution electron spectroscopy. Using the electron projectile final charge state coincidence technique, we probe different collision mechanisms, which create continuum electrons that are slow in the projectile rest frame. We conclude that the observed autoionization lines are due to two electron excitation to projectile Rydberg levels. (orig.)
Critical density for Landau damping in a two-electron-component plasma
Energy Technology Data Exchange (ETDEWEB)
Rupp, Constantin F.; López, Rodrigo A.; Araneda, Jaime A. [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Concepción, Concepción (Chile)
2015-10-15
The asymptotic evolution of an initial perturbation in a collisionless two-electron-component plasma with different temperatures is studied numerically. The transition between linear and nonlinear damping regimes is determined by slowly varying the density of the secondary electron-component using high-resolution Vlasov-Poisson simulations. It is shown that, for fixed amplitude perturbations, this transition behaves as a critical phenomenon with time scales and field amplitudes exhibiting power-law dependencies on the threshold density, similar to the critical amplitude behavior in a single-component plasma.
International Nuclear Information System (INIS)
Schlegel, H.B.; Binkley, J.S.; Pople, J.A.
1984-01-01
Formulas are developed for the first and second derivatives of two electron integrals over Cartesian Gaussians. Integrals and integral derivatives are evaluated by the Rys polynomial method. Higher angular momentum functions are not used to calculate the integral derivatives; instead the integral formulas are differentiated directly to produce compact and efficient expressions for the integral derivatives. The use of this algorithm in the ab initio molecular orbital programs gaussIan 80 and gaussIan 82 is discussed. Representative timings for some small molecules with several basis sets are presented. This method is compared with previously published algorithms and its computational merits are discussed
Double-continuum wave functions and double-photoionization cross sections of two-electron systems
International Nuclear Information System (INIS)
Tiwary, S.N.
1996-09-01
The present review briefly presents the growing experimental as well as theoretical interests in recent years in the double-continuum wave functions and double-photoionization cross sections of two-electron systems. The validity of existing double-continuum wave functions is analyzed and the importance of electronic correlations in both the initial as well as final states wave functions involved in the transition amplitude for double-photoionization process is demonstrated. At present, we do not have comprehensive and practical double-continuum wave functions which account the full correlation of two-electron in the continuum. Basic difficulties in making accurate theoretical calculations of double ionization by a single high energy photon especially in the vicinity of the threshold, where the correlation plays an important role, are discussed. Illuminating, illustrative and representative examples are presented in order to show the present status and the progress in this field. Future challenges and directions, in high-precision double-photoionization cross sections calculations, have been discussed and suggested. (author). 133 refs, 9 figs
Two-electron electrochemical oxidation of quercetin and kaempferol changes only the flavonoid C-ring
DEFF Research Database (Denmark)
Jørgensen, Lars; Cornett, Claus; Justesen, Ulla
1998-01-01
Bulk electrolysis of the antioxidant flavonoids quercetin and kaempferol in acetonitrile both yield a single oxidation product in two-electron processes. The oxidation products are more polar than their parent compounds, with an increased molecular weight of 16g/mol, and were identified as 2......-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxy-3 (2H)-benzofuranone and 2-(4-hydroxybenzoyl)-2,4,6-trihydroxy-3(2H)-benzofuranone for quercetin and kaempferol, respectively. Two-electron oxidation of the parent flavonoid is suggested to yield a 3,4-flavandione with unchanged substitution pattern in the A- and B-ring, which...... may rearrange to form the substituted 3(2H)-benzofuranone through the chalcan-trione ring-chain tautomer. The acidity of the 3-OH group is suggested to determine the fate of the flavonoid phenoxyl radical originally formed by one-electron oxidation, as no well-defined oxidation product of luteolin...
Evidence for single metal two electron oxidative addition and reductive elimination at uranium.
Gardner, Benedict M; Kefalidis, Christos E; Lu, Erli; Patel, Dipti; McInnes, Eric J L; Tuna, Floriana; Wooles, Ashley J; Maron, Laurent; Liddle, Stephen T
2017-12-01
Reversible single-metal two-electron oxidative addition and reductive elimination are common fundamental reactions for transition metals that underpin major catalytic transformations. However, these reactions have never been observed together in the f-block because these metals exhibit irreversible one- or multi-electron oxidation or reduction reactions. Here we report that azobenzene oxidises sterically and electronically unsaturated uranium(III) complexes to afford a uranium(V)-imido complex in a reaction that satisfies all criteria of a single-metal two-electron oxidative addition. Thermolysis of this complex promotes extrusion of azobenzene, where H-/D-isotopic labelling finds no isotopomer cross-over and the non-reactivity of a nitrene-trap suggests that nitrenes are not generated and thus a reductive elimination has occurred. Though not optimally balanced in this case, this work presents evidence that classical d-block redox chemistry can be performed reversibly by f-block metals, and that uranium can thus mimic elementary transition metal reactivity, which may lead to the discovery of new f-block catalysis.
Two-electron one-photon decay rates in doubly ionized atoms
International Nuclear Information System (INIS)
Baptista, G.B.
1984-01-01
The transion rate for the two-electron one-photon and one-electron one-photon decaying processes in atoms bearing initially two K-shell vacancies were evaluated for Ne up to Zr. The two-electron one-photon decay process is considered to be the result of the interaction between the jumping electrons and their interaction with the radiation field. The calculation is performed in second order perturbation theory and the many particle states are constructed from single particle solutions. The present approach allows one to discuss several aspects of the decaying process. The results obtained for the branching ratio between the two processes reproduces reasonably well available experimental data and show an almost linear dependence on the second power of the atomic number. A comparison with other theoretical predictions is also presented for the two decaying processes and the strong dependence of the branching ratio on the initial configuration of the decaying atom is pointed out. (Author) [pt
Measurements of threshold behavior for one- and two-electron photodetachment from the H- ion
International Nuclear Information System (INIS)
Frost, C.A.
1981-09-01
One and two-electron photodetachment from the H - ion by a single photon has been studied using a crossed beam apparatus. A Q-switched laser beam was directed across the 800 MeV H - beam at LAMPF (β=0.842) resulting in Doppler-shifted photon energies in the H - barycentric frame, which were tunable from 0.4 eV to 15.5 eV by changing the intersection angle. The particles (e - , H 0 , H + ) resulting from photodetachment reactions were magnetically deflected into scintillation detectors allowing the total and partial cross sections for 1e - and 2e - processes to be separately measured. The 2e - signal (H + ) was produced by two different mechanisms, the true signal γ + H - → H + + 2e - and the background process γ + H - → H 0 (n), followed by motional electric field ionization of excited H 0 . Two-electron photodetachment which had been predicted theoretically was observed for the first time, and the relative cross section was measured from threshold to 15.5 eV. Tfrared absorption spectra of intrinsic a-Si:H films by the argon working gas partial pressure, hydrogen partial pressure, and substrate temperature variperiods of time at lower temperatures because aromatic hydrocarbons economic conditions. The symptomology of the various trace metals and oxides isen as potentially more efficient for both employer and employee than is the use of regulatory standards
Quadrupole moments as measures of electron correlation in two-electron atoms
International Nuclear Information System (INIS)
Ceraulo, S.C.; Berry, R.S.
1991-01-01
We have calculated quadrupole moments, Q zz , of helium in several of its doubly excited states and in two of its singly excited Rydberg states, and of the alkaline-earth atoms Be, Mg, Ca, Sr, and Ba in their ground and low-lying excited states. The calculations use well-converged, frozen-core configuration-interaction (CI) wave functions and, for interpretive purposes, Hartree-Fock (HF) atomic wave functions and single-term, optimized, molecular rotor-vibrator (RV) wave functions. The quadrupole moments calculated using RV wave functions serve as a test of the validity of the correlated, moleculelike model, which has been used to describe the effects of electron correlation in these two-electron and pseudo-two-electron atoms. Likewise, the quadrupole moments calculated with HF wave functions test the validity of the independent-particle model. In addition to their predictive use and their application to testing simple models, the quadrupole moments calculated with CI wave functions reveal previously unavailable information about the electronic structure of these atoms. Experimental methods by which these quadrupole moments might be measured are also discussed. The quadrupole moments computed from CI wave functions are presented as predictions; measurements of Q zz have been made for only two singly excited Rydberg states of He, and a value of Q zz has been computed previously for only one of the states reported here. We present these results in the hope of stimulating others to measure some of these quadrupole moments
Impurity effects in two-electron coupled quantum dots: entanglement modulation
International Nuclear Information System (INIS)
Acosta Coden, Diego S; Romero, Rodolfo H; Ferrón, Alejandro; Gomez, Sergio S
2013-01-01
We present a detailed analysis of the electronic and optical properties of two-electron quantum dots with a two-dimensional Gaussian confinement potential. We study the effects of Coulomb impurities and the possibility of manipulating the entanglement of the electrons by controlling the confinement potential parameters. The degree of entanglement becomes highly modulated by both the location and charge screening of the impurity atom, resulting in two regimes: one of low entanglement and the other of high entanglement, with both of them mainly determined by the magnitude of the charge. It is shown that the magnitude of the oscillator strength of the system could provide an indication of the presence and characteristics of impurities and, therefore, the degree of entanglement. (paper)
Full two-electron calculations of antiproton collisions with molecular hydrogen
DEFF Research Database (Denmark)
Lühr, Armin Christian; Saenz, Alejandro
2010-01-01
Total cross sections for single ionization and excitation of molecular hydrogen by antiproton impact are presented over a wide range of impact energies from 1 keV to 6.5 MeV. A nonperturbative time-dependent close-coupling method is applied to fully treat the correlated dynamics of the electrons....... Good agreement is obtained between the present calculations and experimental measurements of single-ionization cross sections at high energies, whereas some discrepancies with the experiment are found around the maximum. The importance of the molecular geometry and a full two-electron description...... is demonstrated. The present findings provide benchmark results which might be useful for the development of molecular models....
Confined quantum systems: spectral properties of two-electron quantum dots
International Nuclear Information System (INIS)
Sako, T; Diercksen, G H F
2003-01-01
The spectrum, electron-density distribution and ground-state correlation energy of two electrons confined by an anisotropic harmonic oscillator potential have been studied for different confinement strengths ω by using the quantum chemical configuration interaction (CI) method employing a large Cartesian anisotropic Gaussian basis set and a full CI wavefunction. Energy level diagrams and electron-density distributions are displayed for selected electronic states and confinement parameters. The total energy and spacing between energy levels increase in all cases with increasing ω. The energy level structure cannot be matched by scaling with respect to ω. The correlation energy of the ground state is comparable in magnitude to that of the helium atom. It increases for increasing ω. The percentage of the correlation energy with respect to the total energy of the ground state is considerably larger than that of the helium atom
International Nuclear Information System (INIS)
Niehaus, T A; Suhai, S; March, N H
2008-01-01
Holas, Howard and March (2003 Phys. Lett. A 310 451) have obtained analytic solutions for ground-state properties of a whole family of two-electron spin-compensated harmonically confined model atoms whose different members are characterized by a specific interparticle potential energy u(r 12 ). Here, we make a start on the dynamic generalization of the harmonic external potential, the motivation being the serious criticism levelled recently against the foundations of time-dependent density-functional theory (e.g., Schirmer and Dreuw 2007 Phys. Rev. A 75 022513). In this context, we derive a simplified expression for the time-dependent electron density for arbitrary interparticle interaction, which is fully determined by a one-dimensional non-interacting Hamiltonian. Moreover, a closed solution for the momentum space density in the Moshinsky model is obtained
International Nuclear Information System (INIS)
Trinh, Vinh H; Morishita, Toru; Tolstikhin, Oleg I
2015-01-01
The recently developed many-electron weak-field asymptotic theory of tunneling ionization of atoms and molecules in an external static electric field (Tolstikhin et al 2014, Phys. Rev. A 89, 013421) is extended to the first-order terms in the asymptotic expansion in field. To highlight the results, here we present a simple analytical formula giving the rate of tunneling ionization of two-electron atoms H − and He. Comparison with fully-correlated ab initio calculations available for these systems shows that the first-order theory works quantitatively in a wide range of fields up to the onset of over-the-barrier ionization and hence is expected to find numerous applications in strong-field physics. (fast track communication)
Formation of presheath and current-free double layer in a two-electron-temperature plasma
International Nuclear Information System (INIS)
Sato, Kunihiro; Miyawaki, Fujio
1992-02-01
Development of the steady-state potential in a two-temperature-electron plasma in contact with the wall is investigated analytically. It is shown that if the hot- to cold electron temperature ratio is greater than ten, the potential drop in the presheath, which is allowed to have either a small value characterized by the cold electrons or a large value by the hot electrons, discontinuously changes at a critical value for the hot- to total electron density ratio. It is also found that the monotonically decreasing potential structure which consists of the first presheath, a current-free double layer, the second presheath, and the sheath can be steadily formed in a lower range of the hot- to total electron density ratio around the critical value. The current-free double layer is set up due to existence of the two electron species and cold ions generated by ionization so as to connect two presheath potentials at different levels. (author)
Electron capture in pseudo-two-electron systems: Ar8++He
International Nuclear Information System (INIS)
Kimura, M.; Olson, R.E.
1985-01-01
Molecular-structure calculations using the pseudopotential method have been performed on the (ArHe) 8+ system. The cross section for single-electron capture in Ar 8+ +He collisions was calculated for energies from 20 eV to 10 keV/amu. The perturbed-stationary-state method [M. Kimura, H. Sato, and R. E. Olson, Phys. Rev. A 28, 2085 (1983)], modified to include electron translation factors appropriate to two-electron systems, was used. The total cross section is relatively energy independent with a value of approximately 2.5 x 10 -15 cm 2 . The n = 4 level of Ar 7+ is found to be preferentially populated, with the 4f level being dominant
Imaging the square of the correlated two-electron wave function of a hydrogen molecule.
Waitz, M; Bello, R Y; Metz, D; Lower, J; Trinter, F; Schober, C; Keiling, M; Lenz, U; Pitzer, M; Mertens, K; Martins, M; Viefhaus, J; Klumpp, S; Weber, T; Schmidt, L Ph H; Williams, J B; Schöffler, M S; Serov, V V; Kheifets, A S; Argenti, L; Palacios, A; Martín, F; Jahnke, T; Dörner, R
2017-12-22
The toolbox for imaging molecules is well-equipped today. Some techniques visualize the geometrical structure, others the electron density or electron orbitals. Molecules are many-body systems for which the correlation between the constituents is decisive and the spatial and the momentum distribution of one electron depends on those of the other electrons and the nuclei. Such correlations have escaped direct observation by imaging techniques so far. Here, we implement an imaging scheme which visualizes correlations between electrons by coincident detection of the reaction fragments after high energy photofragmentation. With this technique, we examine the H 2 two-electron wave function in which electron-electron correlation beyond the mean-field level is prominent. We visualize the dependence of the wave function on the internuclear distance. High energy photoelectrons are shown to be a powerful tool for molecular imaging. Our study paves the way for future time resolved correlation imaging at FELs and laser based X-ray sources.
A Moessbauer study of the germanium two-electron donor centers in PbSe
International Nuclear Information System (INIS)
Terukov, E.I.; Khuzhakulov, Eh.S.
2005-01-01
The 73 As( 73 Ge) Moessbauer emission spectroscopy is used for identification of neutral and ionized two-electron germanium centers in PbSe. It is shown that the charge state of antistructural defect 73 Ge, generating in the anion sublattice after 73 As radioactive decay, does not depend on the Fermi level position. In contrast to this, the 73 Ge center in the cation PbSe sublattice represents the electrically active substitution impurity. The emission spectra correspond to the neutral state of the ( 73 Ge 2+ ) donor center in n-type conductors and to the double ionized state of this ( 73 Ge 4+ ) center in p-type conductors [ru
Zhang, Peng; Yuly, Jonathon L; Lubner, Carolyn E; Mulder, David W; King, Paul W; Peters, John W; Beratan, David N
2017-09-19
How can proteins drive two electrons from a redox active donor onto two acceptors at very different potentials and distances? And how can this transaction be conducted without dissipating very much energy or violating the laws of thermodynamics? Nature appears to have addressed these challenges by coupling thermodynamically uphill and downhill electron transfer reactions, using two-electron donor cofactors that have very different potentials for the removal of the first and second electron. Although electron bifurcation is carried out with near perfection from the standpoint of energy conservation and electron delivery yields, it is a biological energy transduction paradigm that has only come into focus recently. This Account provides an exegesis of the biophysical principles that underpin electron bifurcation. Remarkably, bifurcating electron transfer (ET) proteins typically send one electron uphill and one electron downhill by similar energies, such that the overall reaction is spontaneous, but not profligate. Electron bifurcation in the NADH-dependent reduced ferredoxin: NADP + oxidoreductase I (Nfn) is explored in detail here. Recent experimental progress in understanding the structure and function of Nfn allows us to dissect its workings in the framework of modern ET theory. The first electron that leaves the two-electron donor flavin (L-FAD) executes a positive free energy "uphill" reaction, and the departure of this electron switches on a second thermodynamically spontaneous ET reaction from the flavin along a second pathway that moves electrons in the opposite direction and at a very different potential. The singly reduced ET products formed from the bifurcating flavin are more than two nanometers distant from each other. In Nfn, the second electron to leave the flavin is much more reducing than the first: the potentials are said to be "crossed." The eventually reduced cofactors, NADH and ferredoxin in the case of Nfn, perform crucial downstream redox
Origin of Hund's multiplicity rule in quasi-two-dimensional two-electron quantum dots
International Nuclear Information System (INIS)
Sako, Tokuei; Paldus, Josef; Diercksen, Geerd H. F.
2010-01-01
The origin of Hund's multiplicity rules has been studied for a system of two electrons confined by a quasi-two-dimensional harmonic-oscillator potential by relying on a full configuration interaction wave function and Cartesian anisotropic Gaussian basis sets. In terms of appropriate normal-mode coordinates the wave function factors into a product of the center-of-mass and the internal components. The 1 Π u singlet state and the 3 Π u triplet state represent the energetically lowest pair of states to which Hund's multiplicity rule applies. They are shown to involve excitations into different degrees of freedom, namely, into the center-of-mass angular mode and the internal angular mode for the singlet and triplet states, respectively. The presence of an angular nodal line in the internal space allows then the triplet state to avoid the singularity in the electron-electron interaction potential, leading to the energy lowering of the triplet state relative to its counterpart singlet state.
Confinement control mechanism for two-electron Hulthen quantum dots in plasmas
Bahar, M. K.; Soylu, A.
2018-05-01
In this study, for the first time, the energies of two-electron Hulthen quantum dots (TEHQdots) embedded in Debye and quantum plasmas modeled by the more general exponential cosine screened Coulomb (MGECSC) potential under the combined influence of electric and magnetic fields are investigated by numerically solving the Schrödinger equation using the asymptotic iteration method. To do this, the four different forms of the MGECSC potential, which set through the different cases of the potential parameters, are taken into consideration. We propose that plasma environments form considerable quantum mechanical effects for quantum dots and other atomic systems and that plasmas are important experimental arguments. In this study, by considering the quantum dot parameters, the external field parameters, and the plasma screening parameters, a control mechanism of the confinement on energies of TEHQdots and the frequency of the radiation emitted by TEHQdots as a result of any excitation is discussed. In this mechanism, the behaviors, similarities, the functionalities of the control parameters, and the influences of plasmas on these quantities are explored.
Investigations of the Lamb shift in heavy one and two electron systems
International Nuclear Information System (INIS)
Reuschl, Regina
2008-01-01
Experiments on the 1s Lamb-shift in heavy H-like ions and on the intra-shell transitions in heavy He-like systems have been performed. These investigations are of particular interest to verify the validity of quantum electrodynamics (QED) in extremely strong Coulomb fields. In addition, in heavy systems not only QED but also relativistic effects start to play a key role. The experiments have been performed at the gas-jet target of the experimental storage ring (ESR) at GSI. In an experiment with He-like uranium we were able to directly measure the intra-shell transition 2 3 P 2 →2 3 S 1 , in a high-Z system for the very first time. This has been achieved by combining the results from a high-resolution Bragg crystal-spectrometer and a standard planar Germanium detector. A fit of the experimental spectrum with data obtained from a simulation shows, the theoretical predictions describe the transition dynamics very well in this two-electron system. Another experiment has been performed on H-like lead to investigate the 1s Lamb-shift in heavy H-like systems. Here, a high-resolution Laue crystal-spectrometer has been commissioned together with novel high-resolution two dimensional micro-strip Ge-detectors. The combination of both instruments is a very promising tool for future high-precision X-ray experiments. (orig.)
Two-electrons quantum dot in plasmas under the external fields
Bahar, M. K.; Soylu, A.
2018-02-01
In this study, for the first time, the combined effects of the external electric field, magnetic field, and confinement frequency on energies of two-electron parabolic quantum dots in Debye and quantum plasmas modeled by more general exponential cosine screened Coulomb (MGECSC) potential are investigated by numerically solving the Schrödinger equation using the asymptotic iteration method. The MGECSC potential includes four different potential forms when considering different sets of the parameters in potential. Since the plasma is an important experimental argument for quantum dots, the influence of plasmas modeled by the MGECSC potential on quantum dots is probed. The confinement frequency of quantum dots and the external fields created significant quantum restrictions on quantum dot. In this study, as well as discussion of the functionalities of the quantum restrictions for experimental applications, the parameters are also compared with each other in terms of influence and behaviour. In this manner, the motivation points of this study are summarized as follows: Which parameter can be alternative to which parameter, in terms of experimental applications? Which parameters exhibit similar behaviour? What is the role of plasmas on the corresponding behaviours? In the light of these research studies, it can be said that obtained results and performed discussions would be important in experimental and theoretical research related to plasma physics and/or quantum dots.
Two-electron spin correlations in precision placed donors in silicon.
Broome, M A; Gorman, S K; House, M G; Hile, S J; Keizer, J G; Keith, D; Hill, C D; Watson, T F; Baker, W J; Hollenberg, L C L; Simmons, M Y
2018-03-07
Substitutional donor atoms in silicon are promising qubits for quantum computation with extremely long relaxation and dephasing times demonstrated. One of the critical challenges of scaling these systems is determining inter-donor distances to achieve controllable wavefunction overlap while at the same time performing high fidelity spin readout on each qubit. Here we achieve such a device by means of scanning tunnelling microscopy lithography. We measure anti-correlated spin states between two donor-based spin qubits in silicon separated by 16 ± 1 nm. By utilising an asymmetric system with two phosphorus donors at one qubit site and one on the other (2P-1P), we demonstrate that the exchange interaction can be turned on and off via electrical control of two in-plane phosphorus doped detuning gates. We determine the tunnel coupling between the 2P-1P system to be 200 MHz and provide a roadmap for the observation of two-electron coherent exchange oscillations.
One- and two-electron processes in collisions of heavy ions with H2 and He
International Nuclear Information System (INIS)
Richard, P.; Hall, J.; Shinpaugh, J.L.; Sanders, J.M.; Tipping, T.N.; Zouros, T.J.M.; Lee, D.H.; Schmidt-Boecking, H.
1987-01-01
In this paper we present a description of the apparatus and results for experiments involving one- and two-electron processes in collisions of heavy ions with H 2 and He. The experiments were performed using one-electron and bare projectiles. In the first section we describe the measurement of pure ionization of one-electron projectiles by H 2 targets and compare with previous results for He targets. We also present the results for one-electron capture by the projectile from H 2 targets. The energy dependence of the cross sections is compared to theoretical predictions for atomic and molecular hydrogen targets. Both experiments were performed by measuring only the final charge state of the projectile. In the second section we describe the measurement of partial cross sections for the same collisions by measuring the target recoil charge state in coincidence with the projectile charge state. By this method we can measure pure single- and double-ionization of the target, pure single-electron transfer and transfer ionization, and pure double-electron transfer. This experiment is presently being performed for bare flourine on He; however, absolute cross sections are not available at the time of this conference. (orig.)
Two-electron germanium centers with a negative correlation energy in lead chalcogenides
International Nuclear Information System (INIS)
Terukov, E. I.; Marchenko, A. V.; Zaitseva, A. V.; Seregin, P. P.
2007-01-01
It is shown that the charge state of the 73 Ge antisite defect that arises in anionic sublattices of PbS, PbSe, and PbTe after radioactive transformation of 73 As does not depend on the position of the Fermi level, whereas the 73 Ge center in cationic sublattices of PbS and PbSe represents a two-electron donor with the negative correlation energy: the Moessbauer spectrum for the n-type samples corresponds to the neutral state of the donor center (Ge 2+ ), while this spectrum corresponds to the doubly ionized state (Ge 4+ ) of the center in the p-type samples. In partially compensated PbSe samples, a fast electron exchange between the neutral and ionized donor centers is realized. It is shown by the method of Moessbauer spectroscopy for the 119 Sn isotope that the germanium-related energy levels are located higher than the levels formed in the band gap of these semiconductors by the impurity tin atoms
Spin-orbit coupling induced two-electron relaxation in silicon donor pairs
Song, Yang; Das Sarma, S.
2017-09-01
We unravel theoretically a key intrinsic relaxation mechanism among the low-lying singlet and triplet donor-pair states in silicon, an important element in the fast-developing field of spintronics and quantum computation. Despite the perceived weak spin-orbit coupling (SOC) in Si, we find that our discovered relaxation mechanism, combined with the electron-phonon and interdonor interactions, drives the transitions in the two-electron states over a large range of donor coupling regimes. The scaling of the relaxation rate with interdonor exchange interaction J goes from J5 to J4 at the low to high temperature limits. Our analytical study draws on the symmetry analysis over combined band, donor envelope, and valley configurations. It uncovers naturally the dependence on the donor-alignment direction and triplet spin orientation, and especially on the dominant SOC source from donor impurities. While a magnetic field is not necessary for this relaxation, unlike in the single-donor spin relaxation, we discuss the crossover behavior with increasing Zeeman energy in order to facilitate comparison with experiments.
International Nuclear Information System (INIS)
Sarkadi, L.; Orban, A.
2007-01-01
Complete text of publication follows. In this report we present experimental data for a process when two electrons with velocity vectors equal to that of the projectile are emitted from collisions. By observing the two electron cusp the study of the threshold phenomenon for two-electron break-up is possible. It is a particularly interesting question whether the outgoing charged projectile can attract the two repulsing electrons so strongly that the two-electron cusp is formed. If it is so, a further question arises: Are the two electrons correlated in the final state as it is predicted by the Wannier theory? The experiments have been done at the 1 MeV VdG accelerator of ATOMKI using our TOF spectrometer. The first measurements clearly showed the formation of the two-electron cusp and signature of the electron correlation in 200 keV He 0 +He collisions. These promising results motivated us to carry out the experiment at 100 keV beam energy where the coincidence count rate is still reasonable but the energy resolution is better. For an acceptable data acquisition time we improved our data acquisition and data processing system for triple coincidence measurements. In Fig. 1a we present our measured relative fourfold differential cross section (FDCS) that shows strong electron correlation. For a comparison, in Fig. 1b we displayed the contour plot for uncorrelated electron pair emission. These latter data were synthesized artificially, generating the energies of the electron pairs from two independent double coincidence experiments. In both figures the distributions are characterized by two ridges. In Fig. 1b the ridges are perpendicular straight lines (E 1 = E 2 .13.6 eV). As a result of the correlation, the ridges in Fig. 1a are distorted in such a way that they have a joint straight-line section following the line E 1 + E 2 = 27.2 eV. This means that the electron pairs in the vicinity of the cusp maximum are emitted with a center of- mass velocity equal to that of
International Nuclear Information System (INIS)
Vancura, J.; Kostroun, V.O.
1992-01-01
The absolute total and one and two electron transfer cross sections for Ar 8+ on Ar were measured as a function of projectile laboratory energy from 0.090 to 0.550 keV/amu. The effective one electron transfer cross section dominates above 0.32 keV/amu, while below this energy, the effective two electron transfer starts to become appreciable. The total cross section varies by a factor over the energy range explored. The overall error in the cross section measurement is estimated to be ± 15%
One-photon two-electron processes in helium close to the double ionization threshold
International Nuclear Information System (INIS)
Bouri, C.
2007-04-01
This work presents a study of the 1 P 0 excited states of He that can be reached by absorption of a single photon carrying an energy close to the double ionization threshold (DIT) (79 eV). Above the DIT, these states are the double continuum states; below, they are the double excited states. These two types of states are tightly coupled to the single continuum states with or without excitation of the residual ion He + , owing to their degeneracy in energy. In a one-photon process, these states can only be formed owing to the electronic correlations in the system which must be well described to obtain quantitative good results. Our study is a part of the work which aims at a united description of all these doubly excited, ionized-excited, and double continuum states. We use the Hyperspherical R-Matrix with Semiclassical Outgoing Waves (HRM-SOW) method, initially dedicated to double photoionization studies. We extend it to extract information on the single continuum. This extension allows us to compute cross sections of single photoionization with or without excitation up to n 50 for an excess of 100 meV just above the double ionization threshold. A deep insight into this process is given by a partial waves analysis. The results obtained shed light on the key role of angular and radial correlations. The numerous data we obtain on double and single ionization allow us to establish a continuity relation between these two processes. We show that single ionization with an infinite excitation of the residual ion merges into double photoionization when the excess energy is redistributed between the two electrons. It appears that this relation is valid not only for low but also for high photon energies. Since the HRM-SOW can produce the integrated cross section for double photoionization with high accuracy in the low energy domain, we check the Wannier threshold law. The parameters extracted support strongly this threshold law, and are in good agreement with experimental
Coulomb Repulsion Effect in Two-electron Non-adiabatic Tunneling through a One-level redox Molecule
DEFF Research Database (Denmark)
Medvedev, Igor M.; Kuznetsov, Alexander M.; Ulstrup, Jens
2009-01-01
We investigated Coulomb repulsion effects in nonadiabatic (diabatic) two-electron tunneling through a redox molecule with a single electronic level in a symmetric electrochemical contact under ambient conditions, i.e., room temperature and condensed matter environment. The electrochemical contact...
Liu, C; Liu, J; Yao, Y X; Wu, P; Wang, C Z; Ho, K M
2016-10-11
We recently proposed the correlation matrix renormalization (CMR) theory to treat the electronic correlation effects [Phys. Rev. B 2014, 89, 045131 and Sci. Rep. 2015, 5, 13478] in ground state total energy calculations of molecular systems using the Gutzwiller variational wave function (GWF). By adopting a number of approximations, the computational effort of the CMR can be reduced to a level similar to Hartree-Fock calculations. This paper reports our recent progress in minimizing the error originating from some of these approximations. We introduce a novel sum-rule correction to obtain a more accurate description of the intersite electron correlation effects in total energy calculations. Benchmark calculations are performed on a set of molecules to show the reasonable accuracy of the method.
Two-electron states of a group-V donor in silicon from atomistic full configuration interactions
Tankasala, Archana; Salfi, Joseph; Bocquel, Juanita; Voisin, Benoit; Usman, Muhammad; Klimeck, Gerhard; Simmons, Michelle Y.; Hollenberg, Lloyd C. L.; Rogge, Sven; Rahman, Rajib
2018-05-01
Two-electron states bound to donors in silicon are important for both two-qubit gates and spin readout. We present a full configuration interaction technique in the atomistic tight-binding basis to capture multielectron exchange and correlation effects taking into account the full band structure of silicon and the atomic-scale granularity of a nanoscale device. Excited s -like states of A1 symmetry are found to strongly influence the charging energy of a negative donor center. We apply the technique on subsurface dopants subjected to gate electric fields and show that bound triplet states appear in the spectrum as a result of decreased charging energy. The exchange energy, obtained for the two-electron states in various confinement regimes, may enable engineering electrical control of spins in donor-dot hybrid qubits.
International Nuclear Information System (INIS)
Stoehlker, T.; Elliott, S.R.; Marrs, R.E.
1995-09-01
We report on a novel technique which exploits Radiative Recombination transitions for a direct experimental determination of the two-electron contributions to the ground state energy in heliumlike high-Z ions. Results are presented of a first experiment which was conducted at an electron beam ion trap for various elements ranging from Z=32 to 83. The comparison with theoretical predictions demonstrates that the achieved precision already provides a sensitive test of second order manybody contributions and approaches the size of the two-electron (screened) Lamb shift. The ptoential of the new technique will be outlined and the capability of the ESR storage ring for future investigations will be emphasized. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Bernstein, P.A.; Lever, A.B.
1989-10-20
Cyclic voltammetry, DPV and electronic spectroscopy are used to study the reaction between thionyl chloride and cobalt phthalocyanine. SOCl2 reacts with (Co(I)Tn Pc(2-)) and Co(II)Tn Pc(2-) to give two-electron oxidized species. Implications for Li/SOCl2 batteries are discussed. Thionyl chloride also forms a mono SOCl2 adduct with Co(II)TnPc(2-). Driving forces (Delta E values) were calculated for CoTnPc comproportionation and CoTnPc + SOCl2 reactions. Rest potential measurements of a Li/SOCl2 cells show that addition of AlCl3 stabilizes the LiCl product as LiAlCl4. A catalytic two-electron mechanism is indicated for the reduction of thionyl chloride in a Li/SOCl2/(CoTnPc,C) battery.
International Nuclear Information System (INIS)
March, N.H.; Ludena, Eduardo V.
2004-01-01
For three model problems concerning two-electron spin-compensated ground states with spherical density, the third-order linear homogeneous differential equation constructed for the determination of ρ(r) is used here in conjunction with the von Weizsacker functional to characterize the one-body potential of density functional theory (DFT). Correlated von Weizsacker-type terms are compared to the exact DFT functional
DEFF Research Database (Denmark)
Vesborg, Peter Christian Kjærgaard; Seger, Brian
2016-01-01
Solar-drivenreduction of CO2 to solar fuels as an alternative to H2 via water splitting is an intriguing proposition. We modelthe solar-to-fuel (STF) efficiencies using realistic parameters basedon recently reported CO2 reduction catalysts with a highperformance tandem photoabsorber structure. CO...... due to excessiveoverpotentials and poor selectivity. This work considers breakingup the multielectron reduction pathway into individually optimized,separate two-electron steps as a way forward....
Energy Technology Data Exchange (ETDEWEB)
Peng, Bo [William R. Wiley Environmental; Kowalski, Karol [William R. Wiley Environmental
2017-08-11
The representation and storage of two-electron integral tensors are vital in large- scale applications of accurate electronic structure methods. Low-rank representation and efficient storage strategy of integral tensors can significantly reduce the numerical overhead and consequently time-to-solution of these methods. In this paper, by combining pivoted incomplete Cholesky decomposition (CD) with a follow-up truncated singular vector decomposition (SVD), we develop a decomposition strategy to approximately represent the two-electron integral tensor in terms of low-rank vectors. A systematic benchmark test on a series of 1-D, 2-D, and 3-D carbon-hydrogen systems demonstrates high efficiency and scalability of the compound two-step decomposition of the two-electron integral tensor in our implementation. For the size of atomic basis set N_b ranging from ~ 100 up to ~ 2, 000, the observed numerical scaling of our implementation shows O(N_b^{2.5~3}) versus O(N_b^{3~4}) of single CD in most of other implementations. More importantly, this decomposition strategy can significantly reduce the storage requirement of the atomic-orbital (AO) two-electron integral tensor from O(N_b^4) to O(N_b^2 log_{10}(N_b)) with moderate decomposition thresholds. The accuracy tests have been performed using ground- and excited-state formulations of coupled- cluster formalism employing single and double excitations (CCSD) on several bench- mark systems including the C_{60} molecule described by nearly 1,400 basis functions. The results show that the decomposition thresholds can be generally set to 10^{-4} to 10^{-3} to give acceptable compromise between efficiency and accuracy.
Asymptotically exact expression for the energies of the 3Se Rydberg series in a two-electron system
International Nuclear Information System (INIS)
Ivanov, I.A.; Bromley, M.W.J.; Mitroy, J.
2002-01-01
The 1sns 3 S e Rydberg series in a two-electron system with the charge of the nucleus, Z≅1, is treated by means of the quantum-defect theory. Comparison with configuration interaction calculations suggests that the quantum-defect expression for the energy levels becomes asymptotically exact as Z→1. This provides an analytic description of the disappearance of the 1sns 3 S e bound states when Z approaches the critical value of 1
International Nuclear Information System (INIS)
March, Norman H.; Akbari, Ali; Rubio, Angel
2007-01-01
For arbitrary interparticle interaction u(r 12 ), the model two-electron atom in the title is shown to be such that the ground-state electron density ρ(r) is determined uniquely by the correlated kinetic energy density t R (r) of the relative motion. Explicit results for t R (r) are presented for the Hookean atom with force constant k=1/4, and also for u(r 12 )=(λ)/(r 12 2 ) . Possible relevance of the Hookean atom treatment to the ground state of the helium atom itself is briefly discussed
Temkin, A.
1984-01-01
Temkin (1982) has derived the ionization threshold law based on a Coulomb-dipole theory of the ionization process. The present investigation is concerned with a reexamination of several aspects of the Coulomb-dipole threshold law. Attention is given to the energy scale of the logarithmic denominator, the spin-asymmetry parameter, and an estimate of alpha and the energy range of validity of the threshold law, taking into account the result of the two-electron photodetachment experiment conducted by Donahue et al. (1984).
Energy Technology Data Exchange (ETDEWEB)
Errea, L.F.; Mendez, L.; Riera, A.
1983-06-01
In a previous paper we have pointed out that the common-translation-factor (CTF) method is the only one which, at present, and within the framework of the molecular model of atomic collisions, can be shown to be both convergent and computationally fast, even for many-electron systems. In this Communication we check that this second statement is correct, presenting, for the first time, a molecular calculation involving two-electron translation factors, for He/sup +/ + H collisions. A careful study of the sensitivity of the calculated cross sections to the choice of the CTF is performed, and conclusions on that sensitivity are drawn, for several types of processes.
International Nuclear Information System (INIS)
Errea, L.F.; Mendez, L.; Riera, A.
1983-01-01
In a previous paper we have pointed out that the common-translation-factor (CTF) method is the only one which, at present, and within the framework of the molecular model of atomic collisions, can be shown to be both convergent and computationally fast, even for many-electron systems. In this Communication we check that this second statement is correct, presenting, for the first time, a molecular calculation involving two-electron translation factors, for He + + H collisions. A careful study of the sensitivity of the calculated cross sections to the choice of the CTF is performed, and conclusions on that sensitivity are drawn, for several types of processes
International Nuclear Information System (INIS)
Silfvast, W.T.; Wood, O.R. II; Al-Salameh, D.Y.
1986-01-01
The two-electron (shake-up) photoionization process has been shown to be an effective mechanism for producing large population inversions in He/sup +/ with gain at 164 nm and in Ar/sup +/ with gain at 428 and 477 nm and for observing the first autoionizing states in Cd/sup +/. Such a mechanism was recently proposed as an excitation mechanism for a VUV laser in lithium. In each species the rapid excitation and detection using broadband emission from a 30-mJ 100-ps duration laser-produced plasma and a detection system with subnanosecond time resolution were essential in observing these effects. In He, gains of up to 0.8 cm/sup -1/ for durations of 2-4 ns at 164.0 nm on the He-like (n = 3-2) transition in He/sup +/ were measured by comparing the plasma emission from a well-defined volume with and without the presence of a mirror of known reflectivity. The n = 3 upper laser level is pumped not only directly via two-electron photoionization from the neutral ground state but also indirectly (in times of the order of 1-2 ns) via electron collisions from photoionization-pumped higher-lying levels. The decay rate of the photoionization-pumped radiation-trapped lower laser level is increased by a unique process involving absorption of radiation via photoionization of ground state neutral helium atoms
Measurements of threshold behavior for one- and two-electron photodetachment from the H/sup -/ ion
Energy Technology Data Exchange (ETDEWEB)
Frost, C.A.
1981-09-01
One and two-electron photodetachment from the H/sup -/ ion by a single photon has been studied using a crossed beam apparatus. A Q-switched laser beam was directed across the 800 MeV H/sup -/ beam at LAMPF (..beta..=0.842) resulting in Doppler-shifted photon energies in the H/sup -/ barycentric frame, which were tunable from 0.4 eV to 15.5 eV by changing the intersection angle. The particles (e/sup -/, H/sup 0/, H/sup +/) resulting from photodetachment reactions were magnetically deflected into scintillation detectors allowing the total and partial cross sections for 1e/sup -/ and 2e/sup -/ processes to be separately measured. The 2e/sup -/ signal (H/sup +/) was produced by two different mechanisms, the true signal ..gamma.. + H/sup -/ ..-->.. H/sup +/ + 2e/sup -/ and the background process ..gamma.. + H/sup -/ ..-->.. H/sup 0/(n), followed by motional electric field ionization of excited H/sup 0/. Two-electron photodetachment which had been predicted theoretically was observed for the first time, and the relative cross section was measured from threshold to 15.5 eV.
Energy Technology Data Exchange (ETDEWEB)
Shan, Hongzhan; Austin, Brian M.; De Jong, Wibe A.; Oliker, Leonid; Wright, Nicholas J.; Apra, Edoardo
2014-10-01
Attaining performance in the evaluation of two-electron repulsion integrals and constructing the Fock matrix is of considerable importance to the computational chemistry community. Due to its numerical complexity improving the performance behavior across a variety of leading supercomputing platforms is an increasing challenge due to the significant diversity in high-performance computing architectures. In this paper, we present our successful tuning methodology for these important numerical methods on the Cray XE6, the Cray XC30, the IBM BG/Q, as well as the Intel Xeon Phi. Our optimization schemes leverage key architectural features including vectorization and simultaneous multithreading, and results in speedups of up to 2.5x compared with the original implementation.
International Nuclear Information System (INIS)
Bose, M.
1989-01-01
It is often found, in fusion devices as well as in the auroral ionosphere, that the electrons consist of two distinct group, viz., hot and cold. These two-temperature electron model is sometimes convenient for analytical purposes. Thus the authors have considered a two-temperature electron plasma. In this paper, they investigated analytically the drift dissipative instabilities of modified electron-acoustic and lower-hybrid wve in a two-electron temperature plasma. It is found that the modified electron-acoustic drift dissipative mode are strongly dependent on the number density of cold electrons. From the expression of the growth rate, it is clear that these cold electrons can control the growth of this mode as well
International Nuclear Information System (INIS)
Amovilli, C; March, N H
2012-01-01
Utilizing the earlier work of Holas et al (2003 Phys. Lett. A 310 451) and the more recent contribution of Akbari et al (2009 Phys. Rev. A 80 032509), we construct an integral equation for the relative motion (RM) contribution t RM (r) to the correlated kinetic energy density for modelling two-electron atoms with harmonic confinement but arbitrary interparticle interaction. It is stressed that t RM = t RM [f(G)], where f(G) is the atomic scattering factor: the Fourier transform of the density ρ(r). As a simple illustrative example of this functional relation for the correlated kinetic energy density, the harmonic Moshinsky case is investigated, the scattering factor then having a Gaussian form. (paper)
International Nuclear Information System (INIS)
Kimura, M.; Rice Univ., Houston, TX
1990-01-01
The two-electron capture or excitation process resulting from collisions of H + and O 6+ ions with He atoms in the energy range from 0.5 keV/amu to 5 keV/amu is studied within a molecular representation. The collision dynamics for formation of doubly excited O 4+ ions and He** atoms and their (n ell, n'ell ') populations are analyzed in conjunction with electron correlations. Autoionizing states thus formed decay through the Auger process. An experimental study of an ejected electron energy spectrum shows ample structures in addition to two characteristic peaks that are identified by atomic and molecular autoionizations. These structures are attributable to various interferences among electronic states and trajectories. We examine the dominant sources of the interferences. 12 refs., 5 figs
Sheath and heat flow of a two-electron-temperature plasma in the presence of electron emission
International Nuclear Information System (INIS)
Sato, Kunihiro; Miyawaki, Fujio
1992-01-01
The electrostatic sheath and the heat flow of a two-electron-temperature plasma in the presence of electron emission are investigated analytically. It is shown that the energy flux is markedly enhanced to a value near the electron free-flow energy flux as a result of considerable reduction of the sheath potential due to electron emission if the fraction of hot electrons at the sheath edge is much smaller than one. If the hot- to cold-electron temperature ratio is of the order of ten and the hot electron density is comparable to the cold electron density, the action of the sheath as a thermal insulator is improved as a result of suppression of electron emission due to the space-charge effect of hot electrons. (author)
International Nuclear Information System (INIS)
Xiang Shaohua; Deng Xiaopeng; Song Kehui; Wen Wei; Shi Zhengang
2011-01-01
We investigate the entanglement dynamics of two electron-spin qubits in the quantum-dot (QD)-microcavity system in the large-detuning limit and subjected to two different noise sources: electron-spin dephasing and relaxation. We show that when one of the two dots is prepared initially in the excited state, the created entanglement exhibits oscillatory behavior at the beginning of evolution and then completely disappears over time. For two QDs that are initially in either the Einstein-Podolsky-Rosen-Bell states or the Werner states, their entanglement evolution exhibits the same behavior in the presence of pure dephasing, but is completely different under the relaxation process. We also show that the interdot interaction induced by a single-mode cavity field does not contribute to the dynamics of entanglement for these Bell states and Werner states.
Reflection-time-of-flight spectrometer for two-electron (e,2e) coincidence spectroscopy on surfaces
International Nuclear Information System (INIS)
Kirschner, J.; Kerherve, G.; Winkler, C.
2008-01-01
In this article, a novel time-of-flight spectrometer for two-electron-emission (e,2e/γ,2e) correlation spectroscopy from surfaces at low electron energies is presented. The spectrometer consists of electron optics that collect emitted electrons over a solid angle of approximately 1 sr and focus them onto a multichannel plate using a reflection technique. The flight time of an electron with kinetic energy of E kin ≅25 eV is around 100 ns. The corresponding time- and energy resolution are typically ≅1 ns and ≅0.65 eV, respectively. The first (e,2e) data obtained with the present setup from a LiF film are presented
Directory of Open Access Journals (Sweden)
A. Rejo Jeice
2013-09-01
Full Text Available The combined effect of hydrostatic pressure and temperature on correlation energy in a triplet state of two electron spherical quantum dot with square well potential is computed. The result is presented taking GaAs dot as an example. Our result shows the correlation energies are inegative in the triplet state contrast to the singlet state ii it increases with increase in pressure iiifurther decreases due to the application of temperature iv it approaches zero as dot size approaches infinity and v it contribute 10% decrement in total confined energy to the narrow dots. All the calculations have been carried out with finite models and the results are compared with existing literature.
International Nuclear Information System (INIS)
Hairapetian, G.; Stenzel, R.L.
1991-01-01
The expansion of a two-electron-population, collisionless plasma into vacuum is investigated experimentally. Detailed in situ measurements of plasma density, plasma potential, electric field, and particle distribution functions are performed. At the source, the electron population consists of a high-density, cold (kT e congruent 4 eV) Maxwellian, and a sparse, energetic ( (1)/(2) mv 2 e congruent 80 eV) tail. During the expansion of plasma, space-charge effects self-consistently produce an ambipolar electric field whose amplitude is controlled by the energy of tail electrons. The ambipolar electric field accelerates a small number (∼1%) of ions to streaming energies which exceed and scale linearly with the energy of tail electrons. As the expansion proceeds, the energetic tail electrons electrostatically trap the colder Maxwellian electrons and prevent them from reaching the expansion front. A potential double layer develops at the position of the cold electron front. Upstream of the double layer both electron populations exist; but downstream, only the tail electrons do. Hence, the expansion front is dominated by retarded tail electrons. Initially, the double layer propagates away from the source with a speed approximately equal to the ion sound speed in the cold electron population. The propagation speed is independent of the tail electron energy. At later times, the propagating double layer slows down and eventually stagnates. The final position and amplitude of the double layer are controlled by the relative densities of the two electron populations in the source. The steady-state double layer persists till the end of the discharge (Δt congruent 1 msec), much longer than the ion transit time through the device (t congruent 150 μsec)
Giesbertz, Klaas J H; van Leeuwen, Robert
2014-05-14
Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions, and near degeneracy static correlations. In this work, we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be incorporated in a simple wave function of restricted functional form consisting of an orbital product multiplied by a single correlation function f (r12) depending on the interelectronic distance r12. Since the three types of correlations mentioned lead to different signatures in terms of the natural orbital (NO) amplitudes in two-electron systems, we make an analysis of the wave function in terms of the NO amplitudes for a model system of a diatomic molecule. In our numerical implementation, we fully optimize the orbitals and the correlation function on a spatial grid without restrictions on their functional form. Due to this particular form of the wave function, we can prove that none of the amplitudes vanishes and moreover that it displays a distinct sign pattern and a series of avoided crossings as a function of the bond distance in agreement with the exact solution. This shows that the wave function ansatz correctly incorporates the long range Van der Waals interactions. We further show that the approximate wave function gives an excellent binding curve and is able to describe static correlations. We show that in order to do this the correlation function f (r12) needs to diverge for large r12 at large internuclear distances while for shorter bond distances it increases as a function of r12 to a maximum value after which it decays exponentially. We further give a physical interpretation of this behavior.
Zhang, Chao; Yao, Hui; Nie, Yi-Hang; Liang, Jiu-Qing; Niu, Peng-Bin
2018-04-01
In this work, we study the generation of spin-current in a single-molecule magnet (SMM) tunnel junction with Coulomb interaction of transport electrons and external magnetic field. In the absence of field the spin-up and -down currents are symmetric with respect to the initial polarizations of molecule. The existence of magnetic field breaks the time-reversal symmetry, which leads to unsymmetrical spin currents of parallel and antiparallel polarizations. Both the amplitude and polarization direction of spin current can be controlled by the applied magnetic field. Particularly when the magnetic field increases to a certain value the spin-current with antiparallel polarization is reversed along with the magnetization reversal of the SMM. The two-electron occupation indeed enhances the transport current compared with the single-electron process. However the increase of Coulomb interaction results in the suppression of spin-current amplitude at the electron-hole symmetry point. We propose a scheme to compensate the suppression with the magnetic field.
On the enhancement of the back-to-back two-electron-one photon ionization in molecules
Amusia, Miron; Drukarev, Eugene
2014-05-01
Recently, the long ago predicted quasi-free mechanism of two-electron photoionization was detected already at relatively low energy photoionization in He. It was observed that some pairs of electrons are leaving the target atom back-to-back, i.e. in opposite direction with almost the same energy. They have opposite spin directions. The cross-section of this process depends upon the probability for a pair of electrons to be close to each other before meeting the incoming photon. Such probability is greatly enhanced in molecules with covalent bonding, like H2. In this and similar molecules the electrons spend an essential part of time being between nuclei and thus screening them from each other. We demonstrate that indeed the back-to-back contribution is much bigger in H2 than in He. We analyze qualitatively some other situations that lead to relative growth of back-to-back contribution. Atoms with electrons with bigger principal quantum numbers have bigger back-to-back contributions. An external pressure applied to molecules forces electrons to be closer to each other. As a result for them the back-to-back contribution can be controllable enhanced.
Luo, Jian; Hu, Bo; Debruler, Camden; Liu, Tianbiao Leo
2018-01-02
Extending the conjugation of viologen by a planar thiazolo[5,4-d]thiazole (TTz) framework and functionalizing the pyridinium with hydrophilic ammonium groups yielded a highly water-soluble π-conjugation extended viologen, 4,4'-(thiazolo[5,4-d]thiazole-2,5-diyl)bis(1-(3-(trimethylammonio)propyl)pyridin-1-ium) tetrachloride, [(NPr) 2 TTz]Cl 4 , as a novel two-electron storage anolyte for aqueous organic redox flow battery (AORFB) applications. Its physical and electrochemical properties were systematically investigated. Paired with 4-trimethylammonium-TEMPO (N Me -TEMPO) as catholyte, [(NPr) 2 TTz]Cl 4 enables a 1.44 V AORFB with a theoretical energy density of 53.7 Wh L -1 . A demonstrated [(NPr) 2 TTz]Cl 4 /N Me -TEMPO AORFB delivered an energy efficiency of 70 % and 99.97 % capacity retention per cycle. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Gumberidze, A; Barnás, D; Beckert, Karl; Beller, Peter; Beyer, H F; Bosch, F; Cai, X; Stöhlker, T; Hagmann, S; Kozhuharov, C; Liesen, D; Nolden, F; Ma, X; Mokler, P H; Orsic-Muthig, A; Steck, Markus; Sierpowski, D; Tashenov, S; Warczak, A; Zou, Y
2004-01-01
Radiative recombination transitions into the ground state of cooled bare and hydrogen-like uranium ions were measured at the storage ring ESR. By comparing the corresponding x-ray centroid energies, this technique allows for a direct measurement of the electron-electron contribution to the ionization potential in the heaviest He-like ions. For the two-electron contribution to the ionization potential of He-like uranium we obtain a value of 2248 ± 9 eV. This represents the most accurate determination of two-electron effects in the domain of high-Z He-like ions and the accuracy reaches already the size of the specific two-electron radiative QED corrections.
International Nuclear Information System (INIS)
Holas, A.; Howard, I.A.; March, N.H.
2003-01-01
A class of model two-electron 'artificial atoms' is proposed which embraces both Hookean and Moshinsky models. Particle densities and spinless first-order density matrices are obtained for this class of models. These quantities and the interacting system kinetic energy can be calculated using the ground-state solution of an explicit single-particle radial Schroedinger equation
Fomin, V.M.; Gladilin, V.N.; Devreese, J.T.; Kleemans, N.A.J.M.; Koenraad, P.M.
2008-01-01
The effects of the Coulomb interaction on the energy spectrum and the magnetization of two electrons in a strained Inx Ga1-x As/GaAs ringlike nanostructure are analyzed with realistic parameters inferred from the cross-sectional scanning-tunneling microscopy data. With an increasing magnetic field,
Metastable He2- ions formed by two-electron attachment to the excited He2+ Σg+ (1σg22σg1) core
International Nuclear Information System (INIS)
Adamowicz, L.; Pluta, T.
1991-01-01
Four metastable states (1 4 Π u , 2 4 Π u , 4 Φ u , and 4 I u ), resulting from two-electron attachments to the excited He 2 + core ( 2 Σ g + ), are characterized using the numerical Hartree-Fock method. It is determined that such metastable states are formed when both valence electrons are placed into equally diffused orbitals, which have bonding charter, and whose angular momentum quantum numbers do not differ by more than 1
Moiseiwitsch, B L
2004-01-01
This graduate-level text's primary objective is to demonstrate the expression of the equations of the various branches of mathematical physics in the succinct and elegant form of variational principles (and thereby illuminate their interrelationship). Its related intentions are to show how variational principles may be employed to determine the discrete eigenvalues for stationary state problems and to illustrate how to find the values of quantities (such as the phase shifts) that arise in the theory of scattering. Chapter-by-chapter treatment consists of analytical dynamics; optics, wave mecha
Pernot, Dominique
2014-01-01
Les derniers romans de Gabriel Josipovici offrent beaucoup de variété, allant de la parodie, de la fiction comique légère, dans Only Joking et Making Mistakes, à des sujets plus graves, plus personnels, ontologiques. Dans un court roman, Everything Passes, et dans un roman majeur, Goldberg: Variations, le lecteur est amené à se poser des questions sur la nature mystérieuse de la réalité, qui est, trop souvent, acceptée sans conteste par de nombreux roma...
International Nuclear Information System (INIS)
Kimura, M.
1986-01-01
A review of various theoretical treatments which have been used to study electron-capture and excitation processes in two-electron-system ion-atom, atom-atom collisions at low to intermediate energy is presented. Advantages as well as limitations associated with these theoretical models in application to practical many-electron ion-atom, atom-atom collisions are specifically pointed out. Although a rigorous theoretical study of many-electron systems has just begun so that reports of theoretical calculations are scarce to date in comparison to flourishing experimental activities, some theoretical results are of great interest and provide important information for understanding collision dynamics of the system which contains many electrons. Selected examples are given for electron capture in a multiply charged ion-He collision, ion-pair formation in an atom-atom collision and alignment and orientation in a Li + + He collision. (Auth.)
DEFF Research Database (Denmark)
Kobayashi, Sofie; Berge, Maria; Grout, Brian William Wilson
2017-01-01
This study contributes towards a better understanding of learning dynamics in doctoral supervision by analysing how learning opportunities are created in the interaction between supervisors and PhD students, using the notion of experiencing variation as a key to learning. Empirically, we have based...... the study on four video-recorded sessions, with four different PhD students and their supervisors, all from life sciences. Our analysis revealed that learning opportunities in the supervision sessions concerned either the content matter of research (for instance, understanding soil structure......), or the research methods— more specifically how to produce valid results. Our results illustrate how supervisors and PhD students create a space of learning together in their particular discipline by varying critical aspects of their research in their discussions. Situations where more openended research issues...
DEFF Research Database (Denmark)
Fromager, Emmanuel; Jensen, Hans Jørgen Aagaard
2011-01-01
Range-separated density-functional theory combines wave function theory for the long-range part of the two-electron interaction with density-functional theory for the short-range part. When describing the long-range interaction with non-variational methods, such as perturbation or coupled......-cluster theories, self-consistency effects are introduced in the density functional part, which for an exact solution requires iterations. They are generally assumed to be small but no detailed study has been performed so far. Here, the authors analyze self-consistency when using Møller-Plesset-type (MP......) perturbation theory for the long range interaction. The lowest-order self-consistency corrections to the wave function and the energy, that enter the perturbation expansions at the second and fourth order, respectively, are both expressed in terms of the one-electron reduced density matrix. The computational...
Seino, Junji; Nakai, Hiromi
2012-10-14
The local unitary transformation (LUT) scheme at the spin-free infinite-order Douglas-Kroll-Hess (IODKH) level [J. Seino and H. Nakai, J. Chem. Phys. 136, 244102 (2012)], which is based on the locality of relativistic effects, has been extended to a four-component Dirac-Coulomb Hamiltonian. In the previous study, the LUT scheme was applied only to a one-particle IODKH Hamiltonian with non-relativistic two-electron Coulomb interaction, termed IODKH/C. The current study extends the LUT scheme to a two-particle IODKH Hamiltonian as well as one-particle one, termed IODKH/IODKH, which has been a real bottleneck in numerical calculation. The LUT scheme with the IODKH/IODKH Hamiltonian was numerically assessed in the diatomic molecules HX and X(2) and hydrogen halide molecules, (HX)(n) (X = F, Cl, Br, and I). The total Hartree-Fock energies calculated by the LUT method agree well with conventional IODKH/IODKH results. The computational cost of the LUT method is reduced drastically compared with that of the conventional method. In addition, the LUT method achieves linear-scaling with respect to the system size and a small prefactor.
Li, Pengfei; Kreft, Iris; Jackson, Glen P.
2018-02-01
Top-down analyses of protonated insulin cations of charge states of 4+, 5+, or 6+ were performed by exposing the isolated precursor ions to a beam of helium cations with kinetic energy of more than 6 keV, in a technique termed charge transfer dissociation (CTD). The 100 ms charge transfer reaction resulted in approximately 20% conversion efficiency to other intact charge exchange products (CTnoD), and a range of low abundance fragment ions. To increase backbone and sulfide cleavages, and to provide better structural information than straightforward MS2 CTD, the CTnoD oxidized products were isolated and subjected to collisional activation at the MS3 level. The MS3 CTD/CID reaction effectively broke the disulfide linkages, separated the two chains, and yielded more structurally informative fragment ions within the inter-chain cyclic region. CTD also provided doubly oxidized intact product ions at the MS2 level, and resonance ejection of the singly oxidized product ion revealed that the doubly oxidized product originates directly from the isolated precursor ion and not from consecutive CTD reactions of a singly oxidized intermediate. MS4 experiments were employed to help identify potential radical cations and diradical cations, but the results were negative or inconclusive. Nonetheless, the two-electron oxidation process is a demonstration of the very large potential energy (>20 eV) available through CTD, and is a notable capability for a 3D ion trap platform.
International Nuclear Information System (INIS)
Suric, T.; Drukarev, E.G.; Pratt, R.H.
2003-01-01
We describe single and double photoionization of two-electron atoms by photoabsorption at high incident photon energies ω (but still ω 2 ) using a unified approach based on asymptotic Fourier transform (AFT) theory modified by Coulombic interactions. Within this approach the matrix elements for photoabsorption processes at high energies can be understood in terms of the singularities of the many-body Coulomb potential. These singularities (e-e and e-N) result in the singularities of the wave functions and the singularities of the e-γ interaction, which determine the asymptotic behavior of the matrix element. Within our unified approach we explain the dominant contributions, including both the dominant contributions to the total cross section for single ionization and for ionization with excitation, and the dominant contributions to the double ionization spectrum, as a Fourier transform asymptotic in a single large momentum (dependent on the process and the region of the spectrum). These dominant contributions are connected, through AFT, with either the e-N singularity or the e-e singularity. The AFT results are modified by Coulombic interactions. We include these modifications, for the cases of single ionization and of double ionization in the shake-off region at high energies, and extract a slowly convergent factor (Stobbe factor). In this way we obtain rapid convergence of the cross sections to their high-energy behaviors. This also allows us to discuss the convergence of ratios of cross sections
Bhatia, A. K.
2014-01-01
In previous papers [A. K. Bhatia, Phys. Rev. A 85, 052708 (2012); 86, 032709 (2012); 87, 042705 (2013)] electron-H, -He+, and -Li2+ P-wave scattering phase shifts were calculated using the variational polarized orbital theory. This method is now extended to the singlet and triplet D-wave scattering in the elastic region. The long-range correlations are included in the Schrodinger equation by using the method of polarized orbitals variationally. Phase shifts are compared to those obtained by other methods. The present calculation provides results which are rigorous lower bonds to the exact phase shifts. Using the presently calculated D-wave and previously calculated S-wave continuum functions, photoionization of singlet and triplet P states of He and Li+ are also calculated, along with the radiative recombination rate coefficients at various electron temperatures.
Variational principles for locally variational forms
International Nuclear Information System (INIS)
Brajercik, J.; Krupka, D.
2005-01-01
We present the theory of higher order local variational principles in fibered manifolds, in which the fundamental global concept is a locally variational dynamical form. Any two Lepage forms, defining a local variational principle for this form, differ on intersection of their domains, by a variationally trivial form. In this sense, but in a different geometric setting, the local variational principles satisfy analogous properties as the variational functionals of the Chern-Simons type. The resulting theory of extremals and symmetries extends the first order theories of the Lagrange-Souriau form, presented by Grigore and Popp, and closed equivalents of the first order Euler-Lagrange forms of Hakova and Krupkova. Conceptually, our approach differs from Prieto, who uses the Poincare-Cartan forms, which do not have higher order global analogues
Variation and Mathematics Pedagogy
Leung, Allen
2012-01-01
This discussion paper put forwards variation as a theme to structure mathematical experience and mathematics pedagogy. Patterns of variation from Marton's Theory of Variation are understood and developed as types of variation interaction that enhance mathematical understanding. An idea of a discernment unit comprising mutually supporting variation…
Elsgolc, L E; Stark, M
1961-01-01
Calculus of Variations aims to provide an understanding of the basic notions and standard methods of the calculus of variations, including the direct methods of solution of the variational problems. The wide variety of applications of variational methods to different fields of mechanics and technology has made it essential for engineers to learn the fundamentals of the calculus of variations. The book begins with a discussion of the method of variation in problems with fixed boundaries. Subsequent chapters cover variational problems with movable boundaries and some other problems; sufficiency
Elsgolc, Lev D
2007-01-01
This concise text offers both professionals and students an introduction to the fundamentals and standard methods of the calculus of variations. In addition to surveys of problems with fixed and movable boundaries, it explores highly practical direct methods for the solution of variational problems.Topics include the method of variation in problems with fixed boundaries; variational problems with movable boundaries and other problems; sufficiency conditions for an extremum; variational problems of constrained extrema; and direct methods of solving variational problems. Each chapter features nu
International Nuclear Information System (INIS)
Richards, J.D.; Breinig, M.; Gaither, C.C.; Berryman, J.W.; Hasson, B.F.
1993-01-01
Two electrons, excited just above the double-ionization threshold of an Ag q+ (q=5,6) core in a single collision of a 0.1-MeV/u Ag 4+ projectile ion with an Ar atom, are detected. The electron detector consists of electrically isolated anode segments located behind a microchannel-plate electron multiplier. A large electrostatic 30 degree parallel-plate analyzer is used to deflect the two free electrons, which move with approximately the projectile velocity, into the detector. The cross sections for producing final states consisting of a positively charged ionic core and two electrons just above the threshold for double ionization in ion-atom collisions have been measured. The cross sections for producing states with one electron moving with a kinetic energy less than 0.13 eV in the projectile frame and the other moving with somewhat higher kinetic energy are presented
Energy Technology Data Exchange (ETDEWEB)
Bordenave-Montesquieu, A.; Benoit-Cattin, P.; Gleizes, A.; Marrakchi, A.I.; Dousson, S.; Hitz, D.
1985-07-01
Singly differential cross sections for two-electron capture into autoionising states (nl,n'l') with n=2,3,4 and n'>=n in Nsup(q+) (q=6,7) on He and H/sub 2/ collisions have been measured at 10,5q ke V collision energy and an observation angle thetasub(lab)=11.6/sup 0/. Total cross sections are estimated assuming isotropic angular distributions. (orig.).
International Nuclear Information System (INIS)
Bordenave-Montesquieu, A.; Benoit-Cattin, P.; Gleizes, A.; Marrakchi, A.I.
1985-01-01
Singly differential cross sections for two-electron capture into autoionising states (nl,n'l') with n=2,3,4 and n'>=n in Nsup(q+) (q=6,7) on He and H 2 collisions have been measured at 10,5q ke V collision energy and an observation angle thetasub(lab)=11.6 0 . Total cross sections are estimated assuming isotropic angular distributions. (orig.)
Malinowska , Agnieszka B.; Torres , Delfim
2014-01-01
International audience; Introduces readers to the treatment of the calculus of variations with q-differences and Hahn difference operators Provides the reader with the first extended treatment of quantum variational calculus Shows how the techniques described can be applied to economic models as well as other mathematical systems This Brief puts together two subjects, quantum and variational calculi by considering variational problems involving Hahn quantum operators. The main advantage of it...
Bilateral renal artery variation
Üçerler, Hülya; Üzüm, Yusuf; İkiz, Z. Aslı Aktan
2014-01-01
Each kidney is supplied by a single renal artery, although renal artery variations are common. Variations of the renal arteryhave become important with the increasing number of renal transplantations. Numerous studies describe variations in renalartery anatomy. Especially the left renal artery is among the most critical arterial variations, because it is the referred side forresecting the donor kidney. During routine dissection in a formalin fixed male cadaver, we have found a bilateral renal...
John R. Jones; Norbert V. DeByle
1985-01-01
The broad genotypic variability in quaking aspen (Populus tremuloides Michx.), that results in equally broad phenotypic variability among clones is important to the ecology and management of this species. This chapter considers principles of aspen genetics and variation, variation in aspen over its range, and local variation among clones. For a more...
Janssen, B.; van Kranenburg, P.
2014-01-01
Variation in music can be caused by different phenomena: conscious, creative manipulation of musical ideas; but also unconscious variation during music recall. It is the latter phenomenon that we wish to study: variation which occurs in oral transmission, in which a melody is taught without the help
Directory of Open Access Journals (Sweden)
Marin-Garcia Pablo
2010-05-01
Full Text Available Abstract Background The maturing field of genomics is rapidly increasing the number of sequenced genomes and producing more information from those previously sequenced. Much of this additional information is variation data derived from sampling multiple individuals of a given species with the goal of discovering new variants and characterising the population frequencies of the variants that are already known. These data have immense value for many studies, including those designed to understand evolution and connect genotype to phenotype. Maximising the utility of the data requires that it be stored in an accessible manner that facilitates the integration of variation data with other genome resources such as gene annotation and comparative genomics. Description The Ensembl project provides comprehensive and integrated variation resources for a wide variety of chordate genomes. This paper provides a detailed description of the sources of data and the methods for creating the Ensembl variation databases. It also explores the utility of the information by explaining the range of query options available, from using interactive web displays, to online data mining tools and connecting directly to the data servers programmatically. It gives a good overview of the variation resources and future plans for expanding the variation data within Ensembl. Conclusions Variation data is an important key to understanding the functional and phenotypic differences between individuals. The development of new sequencing and genotyping technologies is greatly increasing the amount of variation data known for almost all genomes. The Ensembl variation resources are integrated into the Ensembl genome browser and provide a comprehensive way to access this data in the context of a widely used genome bioinformatics system. All Ensembl data is freely available at http://www.ensembl.org and from the public MySQL database server at ensembldb.ensembl.org.
Variational Transition State Theory
Energy Technology Data Exchange (ETDEWEB)
Truhlar, Donald G. [Univ. of Minnesota, Minneapolis, MN (United States)
2016-09-29
This is the final report on a project involving the development and applications of variational transition state theory. This project involved the development of variational transition state theory for gas-phase reactions, including optimized multidimensional tunneling contributions and the application of this theory to gas-phase reactions with a special emphasis on developing reaction rate theory in directions that are important for applications to combustion. The development of variational transition state theory with optimized multidimensional tunneling as a useful computational tool for combustion kinetics involved eight objectives.
Malinowska, Agnieszka B
2014-01-01
This Brief puts together two subjects, quantum and variational calculi by considering variational problems involving Hahn quantum operators. The main advantage of its results is that they are able to deal with nondifferentiable (even discontinuous) functions, which are important in applications. Possible applications in economics are discussed. Economists model time as continuous or discrete. Although individual economic decisions are generally made at discrete time intervals, they may well be less than perfectly synchronized in ways discrete models postulate. On the other hand, the usual assumption that economic activity takes place continuously, is nothing else than a convenient abstraction that in many applications is far from reality. The Hahn quantum calculus helps to bridge the gap between the two families of models: continuous and discrete. Quantum Variational Calculus is self-contained and unified in presentation. It provides an opportunity for an introduction to the quantum calculus of variations fo...
Variational Monte Carlo Technique
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 19; Issue 8. Variational Monte Carlo Technique: Ground State Energies of Quantum Mechanical Systems. Sukanta Deb. General Article Volume 19 Issue 8 August 2014 pp 713-739 ...
Variational principles in physics
Basdevant, Jean-Louis
2007-01-01
Optimization under constraints is an essential part of everyday life. Indeed, we routinely solve problems by striking a balance between contradictory interests, individual desires and material contingencies. This notion of equilibrium was dear to thinkers of the enlightenment, as illustrated by Montesquieu’s famous formulation: "In all magistracies, the greatness of the power must be compensated by the brevity of the duration." Astonishingly, natural laws are guided by a similar principle. Variational principles have proven to be surprisingly fertile. For example, Fermat used variational methods to demonstrate that light follows the fastest route from one point to another, an idea which came to be known as Fermat’s principle, a cornerstone of geometrical optics. Variational Principles in Physics explains variational principles and charts their use throughout modern physics. The heart of the book is devoted to the analytical mechanics of Lagrange and Hamilton, the basic tools of any physicist. Prof. Basdev...
General quantum variational calculus
Directory of Open Access Journals (Sweden)
Artur M. C. Brito da Cruz
2018-02-01
Full Text Available We develop a new variational calculus based in the general quantum difference operator recently introduced by Hamza et al. In particular, we obtain optimality conditions for generalized variational problems where the Lagrangian may depend on the endpoints conditions and a real parameter, for the basic and isoperimetric problems, with and without fixed boundary conditions. Our results provide a generalization to previous results obtained for the $q$- and Hahn-calculus.
Generalized quasi variational inequalities
Energy Technology Data Exchange (ETDEWEB)
Noor, M.A. [King Saud Univ., Riyadh (Saudi Arabia)
1996-12-31
In this paper, we establish the equivalence between the generalized quasi variational inequalities and the generalized implicit Wiener-Hopf equations using essentially the projection technique. This equivalence is used to suggest and analyze a number of new iterative algorithms for solving generalized quasi variational inequalities and the related complementarity problems. The convergence criteria is also considered. The results proved in this paper represent a significant improvement and refinement of the previously known results.
International Nuclear Information System (INIS)
Bykov, V.P.; Gerasimov, A.V.
1992-08-01
A new variational method without a basis set for calculation of the eigenvalues and eigenfunctions of Hamiltonians is suggested. The expansion of this method for the Coulomb potentials is given. Calculation of the energy and charge distribution in the two-electron system for different values of the nuclear charge Z is made. It is shown that at small Z the Coulomb forces disintegrate the electron cloud into two clots. (author). 3 refs, 4 figs, 1 tab
DEFF Research Database (Denmark)
Khandige, Surabhi; Møller-Jensen, Jakob
2016-01-01
Surface fimbriae of pathogenic Escherichia coli facilitate sensing, adhesion and even invasion of host epithelial cells. While it is known that the pathogen has the potential to express a plethora of fimbrial variants susceptible to rapid phase ON/OFF variation, it is an open question if the fimb......Surface fimbriae of pathogenic Escherichia coli facilitate sensing, adhesion and even invasion of host epithelial cells. While it is known that the pathogen has the potential to express a plethora of fimbrial variants susceptible to rapid phase ON/OFF variation, it is an open question...... if the fimbrial diversity seen at the population level is the product of random stochasticity or a concerted effort based on active communication. Here we discuss the possibility of a mechanism alternative to a stochastic fimbrial phase variation model affecting the dynamics of a heterogeneous population....
Variation, structure and norms
DEFF Research Database (Denmark)
Harder, Peter
2014-01-01
in linguistics: those that see linguistic norms as antithetical to a descriptive and variational linguistics. Once such a re-evaluation has taken place, however, the social recontextualization of cognition will enable linguistics (including sociolinguistics as an integral part), to eliminate the cracks...... that an evolutionary account can reintegrate the opposed fragments into a whole picture that puts each of them in their ‘ecological position’ with respect to each other. Empirical usage facts should be seen in the context of operational norms in relation to which actual linguistic choices represent adaptations....... Variational patterns should be seen in the context of structural categories without which there would be only ‘differences’ rather than variation. And emergence, individual choice, and flux should be seen in the context of the individual’s dependence on lineages of community practice sustained by collective...
Variational methods for high-order multiphoton processes
International Nuclear Information System (INIS)
Gao, B.; Pan, C.; Liu, C.; Starace, A.F.
1990-01-01
Methods for applying the variationally stable procedure for Nth-order perturbative transition matrix elements of Gao and Starace [Phys. Rev. Lett. 61, 404 (1988); Phys. Rev. A 39, 4550 (1989)] to multiphoton processes involving systems other than atomic H are presented. Three specific cases are discussed: one-electron ions or atoms in which the electron--ion interaction is described by a central potential; two-electron ions or atoms in which the electronic states are described by the adiabatic hyperspherical representation; and closed-shell ions or atoms in which the electronic states are described by the multiconfiguration Hartree--Fock representation. Applications are made to the dynamic polarizability of He and the two-photon ionization cross section of Ar
Ladder variational autoencoders
DEFF Research Database (Denmark)
Sønderby, Casper Kaae; Raiko, Tapani; Maaløe, Lars
2016-01-01
Variational autoencoders are powerful models for unsupervised learning. However deep models with several layers of dependent stochastic variables are difficult to train which limits the improvements obtained using these highly expressive models. We propose a new inference model, the Ladder...... Variational Autoencoder, that recursively corrects the generative distribution by a data dependent approximate likelihood in a process resembling the recently proposed Ladder Network. We show that this model provides state of the art predictive log-likelihood and tighter log-likelihood lower bound compared...
Ladder Variational Autoencoder
DEFF Research Database (Denmark)
Sønderby, Casper Kaae; Raiko, Tapani; Maaløe, Lars
2016-01-01
Variational autoencoders are powerful models for unsupervised learning. However deep models with several layers of dependent stochastic variables are difficult to train which limits the improvements obtained using these highly expressive models. We propose a new inference model, the Ladder...... Variational Autoencoder, that recursively corrects the generative distribution by a data dependent approximate likelihood in a process resembling the recently proposed Ladder Network. We show that this model provides state of the art predictive log-likelihood and tighter log-likelihood lower bound compared...
Splines and variational methods
Prenter, P M
2008-01-01
One of the clearest available introductions to variational methods, this text requires only a minimal background in calculus and linear algebra. Its self-contained treatment explains the application of theoretic notions to the kinds of physical problems that engineers regularly encounter. The text's first half concerns approximation theoretic notions, exploring the theory and computation of one- and two-dimensional polynomial and other spline functions. Later chapters examine variational methods in the solution of operator equations, focusing on boundary value problems in one and two dimension
Cosmological constants and variations
International Nuclear Information System (INIS)
Barrow, John D
2005-01-01
We review properties of theories for the variation of the gravitation and fine structure 'constants'. We highlight some general features of the cosmological models that exist in these theories with reference to recent quasar data that is consistent with time-variation in the fine structure 'constant' since a redshift of 3.5. The behaviour of a simple class of varying alpha cosmologies is outlined in the light of all the observational constraints. We also discuss some of the consequences of varying 'constants' for oscillating universes and show by means of exact solutions that they appear to evolve monotonically in time even though the scale factor of the universe oscillates
Variation and Linguistic Theory.
Bailey, Charles-James N.
This volume presents principles and models for describing language variation, and introduces a time-based, dynamic framework for linguistic description. The book first summarizes some of the problems of grammatical description encountered from Saussure through the present and then outlines possibilities for new descriptions of language which take…
On exterior variational calculus
International Nuclear Information System (INIS)
Aldrovandi, R.; Kraenkel, R.A.
1987-01-01
Exterior variational calculus is introduced through examples in field theory. It provides a very simple technique to decide on the existence of Lagrangians for given equations of motions and, in the case, to find them. Only local aspects are discussed but the analogy to exterior calculus on finite dimensional manifolds is complete, strongly suggesting its suitability to the study of topological aspects. (Author) [pt
Variational transition state theory
International Nuclear Information System (INIS)
Truhlar, D.G.
1986-01-01
This project is concerned with the development and applications of generalized transition state theory and multidimensional tunneling approximations to chemical reaction rates. They have developed and implemented several practical versions of variational transition state theory (VTST), namely canonical variational theory (CVT), improved canonical variational theory (ICVT), and microcanonical variational theory (μVT). They have also developed and implemented several accurate multidimensional semiclassical tunneling approximations, the most accurate of which are the small-curvature semiclassical adiabatic (SCSA), large-curvature version-3 (LC3), and least-action (LA) approximations. They have applied the methods to thermal rate constants, using transmission coefficients based on ground-state tunneling, and they have also presented and applied adiabatic and diabatic extensions to calculated rate constants for vibrationally excited reactants. Their general goal is to develop accurate methods for calculating chemical reaction rate constants that remain practical even for reasonably complicated molecules. The approximations mentioned above yield rate constants for systems whose potential energy surface is known or assumed. Thus a second, equally important aspect of their work is the determination or modeling, semi-empirically and/or from electronic structure calculations, of potential energy surfaces
Dall, Sasha R. X.; Gosling, Samuel; Gordon D.A., Brown,; Dingemanse, Niels; Ido, Erev,; Martin, Kocher,; Laura, Schulz,; Todd, Peter M; Weissing, Franz; Wolf, Max; Hammerstein, Peter; Stevens, Jeffrey R.
2012-01-01
Variation in how organisms allocate their behavior over their lifetimes is key to determining Darwinian fitness., and thus the evolution of human and nonhuman decision making. This chapter explores how decision making varies across biologically and societally significant scales and what role such
Seasonal Variation in Epidemiology
Marrero, Osvaldo
2013-01-01
Seasonality analyses are important in medical research. If the incidence of a disease shows a seasonal pattern, then an environmental factor must be considered in its etiology. We discuss a method for the simultaneous analysis of seasonal variation in multiple groups. The nuts and bolts are explained using simple trigonometry, an elementary…
The variational spiked oscillator
International Nuclear Information System (INIS)
Aguilera-Navarro, V.C.; Ullah, N.
1992-08-01
A variational analysis of the spiked harmonic oscillator Hamiltonian -d 2 / d x 2 + x 2 + δ/ x 5/2 , δ > 0, is reported in this work. A trial function satisfying Dirichlet boundary conditions is suggested. The results are excellent for a large range of values of the coupling parameter. (author)
Appell, Jürgen; Merentes Díaz, Nelson José
2013-01-01
This monographis a self-contained exposition of the definition and properties of functionsof bounded variation and their various generalizations; the analytical properties of nonlinear composition operators in spaces of such functions; applications to Fourier analysis, nonlinear integral equations, and boundary value problems. The book is written for non-specialists. Every chapter closes with a list of exercises and open problems.
The nonholonomic variational principle
Energy Technology Data Exchange (ETDEWEB)
Krupkova, Olga [Department of Algebra and Geometry, Faculty of Science, Palacky University, Tomkova 40, 779 00 Olomouc (Czech Republic); Department of Mathematics, La Trobe University, Bundoora, Victoria 3086 (Australia)], E-mail: krupkova@inf.upol.cz
2009-05-08
A variational principle for mechanical systems and fields subject to nonholonomic constraints is found, providing Chetaev-reduced equations as equations for extremals. Investigating nonholonomic variations of the Chetaev type and their properties, we develop foundations of the calculus of variations on constraint manifolds, modelled as fibred submanifolds in jet bundles. This setting is appropriate to study general first-order 'nonlinear nonitegrable constraints' that locally are given by a system of first-order ordinary or partial differential equations. We obtain an invariant constrained first variation formula and constrained Euler-Lagrange equations both in intrinsic and coordinate forms, and show that the equations are the same as Chetaev equations 'without Lagrange multipliers', introduced recently by other methods. We pay attention to two possible settings: first, when the constrained system arises from an unconstrained Lagrangian system defined in a neighbourhood of the constraint, and second, more generally, when an 'internal' constrained system on the constraint manifold is given. In the latter case a corresponding unconstrained system need not be a Lagrangian, nor even exist. We also study in detail an important particular case: nonholonomic constraints that can be alternatively modelled by means of (co)distributions in the total space of the fibred manifold; in nonholonomic mechanics this happens whenever constraints affine in velocities are considered. It becomes clear that (and why) if the distribution is completely integrable (= the constraints are semiholonomic), the principle of virtual displacements holds and can be used to obtain the constrained first variational formula by a more or less standard procedure, traditionally used when unconstrained or holonomic systems are concerned. If, however, the constraint is nonintegrable, no significant simplifications are available. Among others, some properties of nonholonomic
Cui, J.; Galand, M.; Yelle, R. V.; Vuitton, V.; Wahlund, J.-E.; Lavvas, P. P.; Mueller-Wodarg, I. C. F.; Kasprzak, W. T.; Waite, J. H.
2009-04-01
We present our analysis of the diurnal variations of Titan's ionosphere (between 1,000 and 1,400 km) based on a sample of Ion Neutral Mass Spectrometer (INMS) measurements in the Open Source Ion (OSI) mode obtained from 8 close encounters of the Cassini spacecraft with Titan. Though there is an overall ion depletion well beyond the terminator, the ion content on Titan's nightside is still appreciable, with a density plateau of ~700 cm-3 below ~1,300 km. Such a plateau is associated with the combination of distinct diurnal variations of light and heavy ions. Light ions (e.g. CH5+, HCNH+, C2H5+) show strong diurnal variation, with clear bite-outs in their nightside distributions. In contrast, heavy ions (e.g. c-C3H3+, C2H3CNH+, C6H7+) present modest diurnal variation, with significant densities observed on the nightside. We propose that the distinctions between light and heavy ions are associated with their different chemical loss pathways, with the former primarily through "fast" ion-neutral chemistry and the latter through "slow" electron dissociative recombination. The INMS data suggest day-to-night transport as an important source of ions on Titan's nightside, to be distinguished from the conventional scenario of auroral ionization by magnetospheric particles as the only ionizing source on the nightside. This is supported by the strong correlation between the observed night-to-day ion density ratios and the associated ion lifetimes. We construct a time-dependent ion chemistry model to investigate the effects of day-to-night transport on the ionospheric structures of Titan. The predicted diurnal variation has similar general characteristics to those observed, with some apparent discrepancies which could be reconciled by imposing fast horizontal thermal winds in Titan's upper atmosphere.
Conformable variational iteration method
Directory of Open Access Journals (Sweden)
Omer Acan
2017-02-01
Full Text Available In this study, we introduce the conformable variational iteration method based on new defined fractional derivative called conformable fractional derivative. This new method is applied two fractional order ordinary differential equations. To see how the solutions of this method, linear homogeneous and non-linear non-homogeneous fractional ordinary differential equations are selected. Obtained results are compared the exact solutions and their graphics are plotted to demonstrate efficiency and accuracy of the method.
International Nuclear Information System (INIS)
Vancura, J.; Marchetti, V.J.; Perotti, J.J.; Kostroun, V.O.
1993-01-01
Absolute values for the total and one- and two-electron transfer cross sections for Ar q+ ions (8≤q≤16) colliding with helium and molecular hydrogen at 2.3q keV laboratory energy were measured by the growth-rate method. The He and H 2 total cross sections as a function of Ar-projectile L-shell occupation number increase monotonically from Ar 8+ , 2p shell full, to Ar 16+ , 2s shell empty. The H 2 one-electron capture cross section scales approximately as [E IP (He)/E IP (H 2 )] 2 times the corresponding He cross section, but the shapes of the two cross sections differ in detail. The Ar q+ ions were produced by the Cornell superconducting-solenoid, cryogenic electron-beam ion source (CEBIS) and extracted at 2.3 kV. Selected charge states traversed a gas cell, after which they were detected and charge-state analyzed by the energy-retardation method and by a π/ √2 cylindrical electrostatic analyzer. The target-gas pressure in the cell was measured directly by the orifice-flow method used for absolute-pressure gauge calibration. The overall error in the Ar q+ on H 2 cross-section measurements is ±10%, and ±15% in the He measurements
Addressing unwarranted clinical variation: A rapid review of current evidence.
Harrison, Reema; Manias, Elizabeth; Mears, Stephen; Heslop, David; Hinchcliff, Reece; Hay, Liz
2018-05-15
Unwarranted clinical variation (UCV) can be described as variation that can only be explained by differences in health system performance. There is a lack of clarity regarding how to define and identify UCV and, once identified, to determine whether it is sufficiently problematic to warrant action. As such, the implementation of systemic approaches to reducing UCV is challenging. A review of approaches to understand, identify, and address UCV was undertaken to determine how conceptual and theoretical frameworks currently attempt to define UCV, the approaches used to identify UCV, and the evidence of their effectiveness. Rapid evidence assessment (REA) methodology was used. A range of text words, synonyms, and subject headings were developed for the major concepts of unwarranted clinical variation, standards (and deviation from these standards), and health care environment. Two electronic databases (Medline and Pubmed) were searched from January 2006 to April 2017, in addition to hand searching of relevant journals, reference lists, and grey literature. Results were merged using reference-management software (Endnote) and duplicates removed. Inclusion criteria were independently applied to potentially relevant articles by 3 reviewers. Findings were presented in a narrative synthesis to highlight key concepts addressed in the published literature. A total of 48 relevant publications were included in the review; 21 articles were identified as eligible from the database search, 4 from hand searching published work and 23 from the grey literature. The search process highlighted the voluminous literature reporting clinical variation internationally; yet, there is a dearth of evidence regarding systematic approaches to identifying or addressing UCV. Wennberg's classification framework is commonly cited in relation to classifying variation, but no single approach is agreed upon to systematically explore and address UCV. The instances of UCV that warrant investigation and
International Nuclear Information System (INIS)
Kucherenko, L.
1990-01-01
Full text: 32 varieties of Oryza sativa L. ssp. japonica were used as donors for callus induction from somatic tissues. In some cases, the callus was treated before regeneration with the chemical mutagen MNU. Some of the regenerated plants demonstrated heritable alterations, among them chlorophyll deficiencies, variation in plant height, awness, glume colouring and fertility. Along with these, a number of lines with agronomically valuable alterations concerning maturity time, panicle structure, plant productivity and grain quality were found. The spectrum of variability was very wide. Vivipary was noticed. Superdwarfs with plant height of about 15 cm were found. Plants with no visible distinctions could be variants too, for example, with increased protein content or disease resistance. The rate and the spectrum of the somaclonal variation were not influenced by the culture media but depended on the donor's genotype. On the basis of somaclonal variation a variety 'Bioryza' was developed. It is an early maturing (about 95-100 days), long grain variety, with grain yield up to 8 t/ha. (author)
Luo, Chongliang; Liu, Jin; Dey, Dipak K; Chen, Kun
2016-07-01
In many fields, multi-view datasets, measuring multiple distinct but interrelated sets of characteristics on the same set of subjects, together with data on certain outcomes or phenotypes, are routinely collected. The objective in such a problem is often two-fold: both to explore the association structures of multiple sets of measurements and to develop a parsimonious model for predicting the future outcomes. We study a unified canonical variate regression framework to tackle the two problems simultaneously. The proposed criterion integrates multiple canonical correlation analysis with predictive modeling, balancing between the association strength of the canonical variates and their joint predictive power on the outcomes. Moreover, the proposed criterion seeks multiple sets of canonical variates simultaneously to enable the examination of their joint effects on the outcomes, and is able to handle multivariate and non-Gaussian outcomes. An efficient algorithm based on variable splitting and Lagrangian multipliers is proposed. Simulation studies show the superior performance of the proposed approach. We demonstrate the effectiveness of the proposed approach in an [Formula: see text] intercross mice study and an alcohol dependence study. © The Author 2016. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.
International Nuclear Information System (INIS)
Masili, Mauro; Groote, J.J. de
2004-01-01
Using a model potential representation combined with a variationally stable method, we present a precise calculation of the electric dipole polarizabilities of the sodium negative ion (Na - ). The effective two-electron eigensolutions for Na - are obtained from a hyperspherical coupled-channel calculation. This approach allows efficient error control and insight into the system's properties through one-dimensional potential curves. Our result of 1018.3 a.u. for the static dipole polarizability is in agreement with previous calculations and supports our results for the dynamic polarizability, which has scarcely been investigated hitherto
Coarse Grained Exponential Variational Autoencoders
Sun, Ke; Zhang, Xiangliang
2017-01-01
Variational autoencoders (VAE) often use Gaussian or category distribution to model the inference process. This puts a limit on variational learning because this simplified assumption does not match the true posterior distribution, which is usually
Variational submanifolds of Euclidean spaces
Krupka, D.; Urban, Z.; Volná, J.
2018-03-01
Systems of ordinary differential equations (or dynamical forms in Lagrangian mechanics), induced by embeddings of smooth fibered manifolds over one-dimensional basis, are considered in the class of variational equations. For a given non-variational system, conditions assuring variationality (the Helmholtz conditions) of the induced system with respect to a submanifold of a Euclidean space are studied, and the problem of existence of these "variational submanifolds" is formulated in general and solved for second-order systems. The variational sequence theory on sheaves of differential forms is employed as a main tool for the analysis of local and global aspects (variationality and variational triviality). The theory is illustrated by examples of holonomic constraints (submanifolds of a configuration Euclidean space) which are variational submanifolds in geometry and mechanics.
Introduction to global variational geometry
Krupka, Demeter
2015-01-01
The book is devoted to recent research in the global variational theory on smooth manifolds. Its main objective is an extension of the classical variational calculus on Euclidean spaces to (topologically nontrivial) finite-dimensional smooth manifolds; to this purpose the methods of global analysis of differential forms are used. Emphasis is placed on the foundations of the theory of variational functionals on fibered manifolds - relevant geometric structures for variational principles in geometry, physical field theory and higher-order fibered mechanics. The book chapters include: - foundations of jet bundles and analysis of differential forms and vector fields on jet bundles, - the theory of higher-order integral variational functionals for sections of a fibred space, the (global) first variational formula in infinitesimal and integral forms- extremal conditions and the discussion of Noether symmetries and generalizations,- the inverse problems of the calculus of variations of Helmholtz type- variational se...
Energy Technology Data Exchange (ETDEWEB)
Chertkov, Michael [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Ahn, Sungsoo [Korea Advanced Inst. Science and Technology (KAIST), Daejeon (Korea, Republic of); Shin, Jinwoo [Korea Advanced Inst. Science and Technology (KAIST), Daejeon (Korea, Republic of)
2017-05-25
Computing partition function is the most important statistical inference task arising in applications of Graphical Models (GM). Since it is computationally intractable, approximate methods have been used to resolve the issue in practice, where meanfield (MF) and belief propagation (BP) are arguably the most popular and successful approaches of a variational type. In this paper, we propose two new variational schemes, coined Gauged-MF (G-MF) and Gauged-BP (G-BP), improving MF and BP, respectively. Both provide lower bounds for the partition function by utilizing the so-called gauge transformation which modifies factors of GM while keeping the partition function invariant. Moreover, we prove that both G-MF and G-BP are exact for GMs with a single loop of a special structure, even though the bare MF and BP perform badly in this case. Our extensive experiments, on complete GMs of relatively small size and on large GM (up-to 300 variables) confirm that the newly proposed algorithms outperform and generalize MF and BP.
Directory of Open Access Journals (Sweden)
Jesus eAvila
2014-11-01
Full Text Available It is assumed that DNA sequences are conserved in the diverse cell types present in a multicellular organism like the human being. Thus, in order to compare the sequences in the genome of DNA from different individuals, nucleic acid is commonly isolated from a single tissue. In this regard, blood cells are widely used for this purpose because of their availability. Thus blood DNA has been used to study genetic familiar diseases that affect other tissues and organs, such as the liver, heart, and brain. While this approach is valid for the identification of familial diseases in which mutations are present in parental germinal cells and, therefore, in all the cells of a given organism, it is not suitable to identify sporadic diseases in which mutations might occur in specific somatic cells. This review addresses somatic DNA variations in different tissues or cells (mainly in the brain of single individuals and discusses whether the dogma of DNA invariance between cell types is indeed correct. We will also discuss how single nucleotide somatic variations arise, focusing on the presence of specific DNA mutations in the brain.
Harmonically excited orbital variations
International Nuclear Information System (INIS)
Morgan, T.
1985-01-01
Rephrasing the equations of motion for orbital maneuvers in terms of Lagrangian generalized coordinates instead of Newtonian rectangular cartesian coordinates can make certain harmonic terms in the orbital angular momentum vector more readily apparent. In this formulation the equations of motion adopt the form of a damped harmonic oscillator when torques are applied to the orbit in a variationally prescribed manner. The frequencies of the oscillator equation are in some ways unexpected but can nonetheless be exploited through resonant forcing functions to achieve large secular variations in the orbital elements. Two cases are discussed using a circular orbit as the control case: (1) large changes in orbital inclination achieved by harmonic excitation rather than one impulsive velocity change, and (2) periodic and secular changes to the longitude of the ascending node using both stable and unstable excitation strategies. The implications of these equations are also discussed for both artificial satellites and natural satellites. For the former, two utilitarian orbits are suggested, each exploiting a form of harmonic excitation. 5 refs
Variationally Asymptotically Stable Difference Systems
Directory of Open Access Journals (Sweden)
Goo YoonHoe
2007-01-01
Full Text Available We characterize the h-stability in variation and asymptotic equilibrium in variation for nonlinear difference systems via n∞-summable similarity and comparison principle. Furthermore we study the asymptotic equivalence between nonlinear difference systems and their variational difference systems by means of asymptotic equilibria of two systems.
Evaluation of variational approximations
International Nuclear Information System (INIS)
Trevisan, L.A.
1991-01-01
In Feynman's approach to quantum statistical mechanics, the partition function can e represented as a path integral. A recently proposed variation method of Feynman-Kleinert is able to transform the path integral into an integral in phase space, in which the quantum fluctuations have been taken care of by introducing the effective classical potential. This method has been testes with succeed for the smooth potentials and for the singular potential of delta. The method to the strong singular potentials is applied: a quadratic potential and a linear potential both with a rigid wall at the origin. By satisfying the condition that the density of the particle be vanish at the origin, and adapted method of Feynman-Kleinert in order to improve the method is introduced. (author)
Dynamics of nonholonomic systems from variational principles embedded variation identity
International Nuclear Information System (INIS)
Guo Yongxin; Liu Shixing; Liu Chang; Chang Peng
2009-01-01
Nondeterminacy of dynamics, i.e., the nonholonomic or the vakonomic, fundamental variational principles, e.g., the Lagrange-d'Alembert or Hamiltonian, and variational operators, etc., of nonholonomic mechanical systems can be attributed to the non-uniqueness of ways how to realize nonholonomic constraints. Making use of a variation identity of nonholonomic constraints embedded into the Hamilton's principle with the method of Lagrange undetermined multipliers, three kinds of dynamics for the nonholonomic systems including the vakonomic and nonholonomic ones and a new one are obtained if the variation is respectively reduced to three conditional variations: vakonomic variation, Hoelder's variation and Suslov's variation, defined by the identity. Therefore, different dynamics of nonholonomic systems can be derived from an integral variational principle, utilizing one way of embedding constraints into the principle, with different variations. It is verified that the similar embedding of the identity into the Lagrange-d'Alembert principle gives rise to the nonholonomic dynamics but fails to give the vakonomic one unless the constraints are integrable.
Dynamics of nonholonomic systems from variational principles embedded variation identity
Energy Technology Data Exchange (ETDEWEB)
Guo Yongxin, E-mail: yxguo@lnu.edu.c [College of Physics, Liaoning University, Shenyang 110036 (China); Liu Shixing [College of Physics, Liaoning University, Shenyang 110036 (China); Liu Chang; Chang Peng [Department of Applied Mechanics, Beijing Institute of Technology, Beijing 100081 (China)
2009-10-19
Nondeterminacy of dynamics, i.e., the nonholonomic or the vakonomic, fundamental variational principles, e.g., the Lagrange-d'Alembert or Hamiltonian, and variational operators, etc., of nonholonomic mechanical systems can be attributed to the non-uniqueness of ways how to realize nonholonomic constraints. Making use of a variation identity of nonholonomic constraints embedded into the Hamilton's principle with the method of Lagrange undetermined multipliers, three kinds of dynamics for the nonholonomic systems including the vakonomic and nonholonomic ones and a new one are obtained if the variation is respectively reduced to three conditional variations: vakonomic variation, Hoelder's variation and Suslov's variation, defined by the identity. Therefore, different dynamics of nonholonomic systems can be derived from an integral variational principle, utilizing one way of embedding constraints into the principle, with different variations. It is verified that the similar embedding of the identity into the Lagrange-d'Alembert principle gives rise to the nonholonomic dynamics but fails to give the vakonomic one unless the constraints are integrable.
Calculation of von Neumann entropy for hydrogen and positronium negative ions
International Nuclear Information System (INIS)
Lin, Chien-Hao; Ho, Yew Kam
2014-01-01
In the present work, we carry out calculations of von Neumann entropies and linear entropies for the hydrogen negative ion and the positronium negative ion. We concentrate on the spatial (electron–electron orbital) entanglement in these ions by using highly correlated Hylleraas functions to represent their ground states, and to take care of correlation effects. We apply the Schmidt decomposition method on the partial-wave expanded two-electron wave functions, and from which the one-particle reduced density matrix can be obtained, leading to the quantifications of linear entropy and von Neumann entropy in the H − and Ps − ions. - Highlights: • We calculate von Neumann entropies and linear entropies for hydrogen and positronium negative ions. • We employ highly correlated Hylleraas functions to take into account of correlation effects. • Spatial (electron–electron orbital) entanglement is quantified using the Schmidt decomposition method. • The eigenvalues of the one-particle reduced density matrix are calculated
Kakuda, Saya; Peterson, Ryan L; Ohkubo, Kei; Karlin, Kenneth D; Fukuzumi, Shunichi
2013-05-01
A copper complex, [(PV-tmpa)Cu(II)](ClO4)2 (1) [PV-tmpa = bis(pyrid-2-ylmethyl){[6-(pivalamido)pyrid-2-yl]methyl}amine], acts as a more efficient catalyst for the four-electron reduction of O2 by decamethylferrocene (Fc*) in the presence of trifluoroacetic acid (CF3COOH) in acetone as compared with the corresponding copper complex without a pivalamido group, [(tmpa)Cu(II)](ClO4)2 (2) (tmpa = tris(2-pyridylmethyl)amine). The rate constant (k(obs)) of formation of decamethylferrocenium ion (Fc*(+)) in the catalytic four-electron reduction of O2 by Fc* in the presence of a large excess CF3COOH and O2 obeyed first-order kinetics. The k(obs) value was proportional to the concentration of catalyst 1 or 2, whereas the k(obs) value remained constant irrespective of the concentration of CF3COOH or O2. This indicates that electron transfer from Fc* to 1 or 2 is the rate-determining step in the catalytic cycle of the four-electron reduction of O2 by Fc* in the presence of CF3COOH. The second-order catalytic rate constant (k(cat)) for 1 is 4 times larger than the corresponding value determined for 2. With the pivalamido group in 1 compared to 2, the Cu(II)/Cu(I) potentials are -0.23 and -0.05 V vs SCE, respectively. However, during catalytic turnover, the CF3COO(-) anion present readily binds to 2 shifting the resulting complex's redox potential to -0.35 V. The pivalamido group in 1 is found to inhibit anion binding. The overall effect is to make 1 easier to reduce (relative to 2) during catalysis, accounting for the relative k(cat) values observed. 1 is also an excellent catalyst for the two-electron two-proton reduction of H2O2 to water and is also more efficient than is 2. For both complexes, reaction rates are greater than for the overall four-electron O2-reduction to water, an important asset in the design of catalysts for the latter.
Energy Technology Data Exchange (ETDEWEB)
Bouri, C
2007-04-15
This work presents a study of the {sup 1}P{sup 0} excited states of He that can be reached by absorption of a single photon carrying an energy close to the double ionization threshold (DIT) (79 eV). Above the DIT, these states are the double continuum states; below, they are the double excited states. These two types of states are tightly coupled to the single continuum states with or without excitation of the residual ion He{sup +}, owing to their degeneracy in energy. In a one-photon process, these states can only be formed owing to the electronic correlations in the system which must be well described to obtain quantitative good results. Our study is a part of the work which aims at a united description of all these doubly excited, ionized-excited, and double continuum states. We use the Hyperspherical R-Matrix with Semiclassical Outgoing Waves (HRM-SOW) method, initially dedicated to double photoionization studies. We extend it to extract information on the single continuum. This extension allows us to compute cross sections of single photoionization with or without excitation up to n 50 for an excess of 100 meV just above the double ionization threshold. A deep insight into this process is given by a partial waves analysis. The results obtained shed light on the key role of angular and radial correlations. The numerous data we obtain on double and single ionization allow us to establish a continuity relation between these two processes. We show that single ionization with an infinite excitation of the residual ion merges into double photoionization when the excess energy is redistributed between the two electrons. It appears that this relation is valid not only for low but also for high photon energies. Since the HRM-SOW can produce the integrated cross section for double photoionization with high accuracy in the low energy domain, we check the Wannier threshold law. The parameters extracted support strongly this threshold law, and are in good agreement with
Polarizer reflectivity variations
International Nuclear Information System (INIS)
Ozarski, R.G.; Prior, J.
1980-01-01
On Shiva the beam energy along the chain is monitored using available reflections and/or transmission through beam steering, splitting, and polarizing optics without the intrusion of any additional glass for diagnostics. On the preamp table the diagnostic signal is obtained from the signal transmitted through turning mirrors. At the input of each chain the signal is obtained from the transmission through one of the mirrors used for the chain input alignment sensor (CHIP). At the chain output the transmission through the final turning mirror is used. These diagnostics have proved stable and reliable. However, one of the prime diagnostic locations is at the output of the beta rod. The energy at this location is measured by collecting small reflections from the last polarizer surface of the beta Pockels cell polarizer package. Unfortunately, calibration of this diagnostic has varied randomly, seldom remaining stable for a week or more. The cause of this fluctuation has been investigated for the past year and'it has been discovered that polarizer reflectivity varies with humidity. This report will deal with the possible causes that were investigated, the evidence that humidity is causing the variation, and the associated mechanism
A survey of variational principles
International Nuclear Information System (INIS)
Lewins, J.D.
1993-01-01
In this article survey of variational principles has been given. Variational principles play a significant role in mathematical theory with emphasis on the physical aspects. There are two principals used i.e. to represent the equation of the system in a succinct way and to enable a particular computation in the system to be carried out with greater accuracy. The survey of variational principles has ranged widely from its starting point in the Lagrange multiplier to optimisation principles. In an age of digital computation, these classic methods can be adapted to improve such calculations. We emphasize particularly the advantage of basic finite element methods on variational principles. (A.B.)
Genetic variation in California oaks
Constance I. Millar; Diane L. Delany; Lawrence A. Riggs
1990-01-01
In forestry the importance of genetic variation for successful reproduction, survival and growth has been widely documented for commercial conifers; until recently, little genetic work has been done on the California oaks. Even before the nature of genetic variation was scientifically investigated, its importance was suspected in operational forestry. Many failures of...
Exploiting natural variation in Arabidopsis
Molenaar, J.A.; Keurentjes, J.J.B.; Sanchez-Serrano, J.J.; Salinas, J.
2014-01-01
Natural variation for many traits is present within the species Arabidopsis thaliana. This chapter describes the use of natural variation to elucidate genes underlying the regulation of quantitative traits. It deals with the development and use of mapping populations, the detection and handling of
General strongly nonlinear variational inequalities
International Nuclear Information System (INIS)
Siddiqi, A.H.; Ansari, Q.H.
1990-07-01
In this paper we develop iterative algorithms for finding approximate solutions for new classes of variational and quasi-variational inequalities which include, as special case, some known results in this field. It is shown that the solutions of the iterative schemes converge to the exact solutions. (author). 15 refs
Comparing variation across European countries
DEFF Research Database (Denmark)
Thygesen, Lau C; Baixauli-Pérez, Cristobal; Librero-López, Julián
2015-01-01
BACKGROUND: In geographical studies, population distribution is a key issue. An unequal distribution across units of analysis might entail extra-variation and produce misleading conclusions on healthcare performance variations. This article aims at assessing the impact of building more homogeneou...
Strongly nonlinear parabolic variational inequalities.
Browder, F E; Brézis, H
1980-02-01
An existence and uniqueness result is established for a general class of variational inequalities for parabolic partial differential equations of the form partial differentialu/ partial differentialt + A(u) + g(u) = f with g nondecreasing but satisfying no growth condition. The proof is based upon a type of compactness result for solutions of variational inequalities that should find a variety of other applications.
Variational and quasi-variational inequalities in mechanics
Kravchuk, Alexander S
2007-01-01
The essential aim of the present book is to consider a wide set of problems arising in the mathematical modelling of mechanical systems under unilateral constraints. In these investigations elastic and non-elastic deformations, friction and adhesion phenomena are taken into account. All the necessary mathematical tools are given: local boundary value problem formulations, construction of variational equations and inequalities, and the transition to minimization problems, existence and uniqueness theorems, and variational transformations (Friedrichs and Young-Fenchel-Moreau) to dual and saddle-point search problems. Important new results concern contact problems with friction. The Coulomb friction law and some others are considered, in which relative sliding velocities appear. The corresponding quasi-variational inequality is constructed, as well as the appropriate iterative method for its solution. Outlines of the variational approach to non-stationary and dissipative systems and to the construction of the go...
Exploring language variation across Europe
DEFF Research Database (Denmark)
Hovy, Dirk; Johannsen, Anders Trærup
2016-01-01
Language varies not only between countries, but also along regional and sociodemographic lines. This variation is one of the driving factors behind language change. However, investigating language variation is a complex undertaking: the more factors we want to consider, the more data we need. Tra...... use of large amounts of data and provides statistical analyses, maps, and interactive features that enable scholars to explore language variation in a data-driven way.......Language varies not only between countries, but also along regional and sociodemographic lines. This variation is one of the driving factors behind language change. However, investigating language variation is a complex undertaking: the more factors we want to consider, the more data we need...... training in both variational linguistics and computational methods, a combination that is still not common. We take a first step here to alleviate the problem by providing an interface to explore large-scale language variation along several socio-demographic factors without programming knowledge. It makes...
Observer variation in skeletal radiology
Energy Technology Data Exchange (ETDEWEB)
Cockshott, W.P.; Park, W.M.
1983-08-01
The factors that affect observer variation in bone radiology are analysed from data in the literature and on the basis of studies carried out at McMaster University on the hands and sacroiliac joints. A plea is made for presenting results in terms of Kappa statistics so that agreement due purely to chance is eliminated. In the conclusions the main variables that affect concordance are listed so that strategies can be developed to reduce observer variation. This is important in serial studies to ensure that the observer variations are smaller than the effect one wishes to measure.
Paleosecular variations from lake sediments
International Nuclear Information System (INIS)
Lund, S.P.; Banerjee, S.K.
1979-01-01
Data are presented on the secular variations of the magnetization of wet and dry lake sediments for 17 North American locations. The usefullness of this data in terms of the geomagnetic field is discussed
Diural TSH variations in hypothyroidism.
Weeke, J; Laurberg, P
1976-07-01
There is a circadian variation in serum TSH in euthyroid subjects. A similar diurnal variation has been demonstrated in patients with hypothyroidism. In the present study the 24-hour pattern of serum TSH was investigated in eight patients with hypothyroidism of varying severity and in five hypothyroid patients treated with thyroxine (T4). There was a circadian variation in serum TSH in patients with hypothyroidism of moderate degree, and in patients treated for severe hypothyrodism with thyroxine. The pattern was similar to that found in normal subjects, i.e., low TSH levels in the daytime and higher levels at night. In severely hypothyroid patients, no diurnal variation in serum TSH was observed. A practical consequence is that blood samples for TSH measurements in patients with moderately elevated TSH levels are best taken after 1100 h, when the low day levels are reached.
Explaining variation in nascent entrepreneurship
A.J. van Stel (André); A.R.M. Wennekers (Sander); P. Reynolds (Paul); A.R. Thurik (Roy)
2004-01-01
textabstractThis paper aims at explaining cross-country variation in nascent entrepreneurship. Regression analysis is applied using various explanatory variables derived from three different approaches. We make use of the Global Entrepreneurship Monitor database, including nascent entrepreneurship
Thematic Composition and Idiom Variation
Directory of Open Access Journals (Sweden)
Cserép Attila
2017-11-01
Full Text Available The Corpus of Contemporary American English (COCA has been studied to retrieve variant forms of semantically decomposable idioms that have no thematic composition for the purpose of determining whether thematic composition is a necessary criterion for idiom variation as claimed by Horn (2003. The syntactic variants searched for include passive, raising, tough-movement, relative clauses and wh-questions. Horn’s (2003 hypothesis is not fully confirmed, as some variation has been found.
A compiler for variational forms
Kirby, Robert C.; Logg, Anders
2011-01-01
As a key step towards a complete automation of the finite element method, we present a new algorithm for automatic and efficient evaluation of multilinear variational forms. The algorithm has been implemented in the form of a compiler, the FEniCS Form Compiler FFC. We present benchmark results for a series of standard variational forms, including the incompressible Navier-Stokes equations and linear elasticity. The speedup compared to the standard quadrature-based approach is impressive; in s...
Variational integrators for electric circuits
International Nuclear Information System (INIS)
Ober-Blöbaum, Sina; Tao, Molei; Cheng, Mulin; Owhadi, Houman; Marsden, Jerrold E.
2013-01-01
In this contribution, we develop a variational integrator for the simulation of (stochastic and multiscale) electric circuits. When considering the dynamics of an electric circuit, one is faced with three special situations: 1. The system involves external (control) forcing through external (controlled) voltage sources and resistors. 2. The system is constrained via the Kirchhoff current (KCL) and voltage laws (KVL). 3. The Lagrangian is degenerate. Based on a geometric setting, an appropriate variational formulation is presented to model the circuit from which the equations of motion are derived. A time-discrete variational formulation provides an iteration scheme for the simulation of the electric circuit. Dependent on the discretization, the intrinsic degeneracy of the system can be canceled for the discrete variational scheme. In this way, a variational integrator is constructed that gains several advantages compared to standard integration tools for circuits; in particular, a comparison to BDF methods (which are usually the method of choice for the simulation of electric circuits) shows that even for simple LCR circuits, a better energy behavior and frequency spectrum preservation can be observed using the developed variational integrator
Directory of Open Access Journals (Sweden)
Ibáñez Berta
2009-04-01
Full Text Available Abstract Background The importance of Small Area Variation Analysis for policy-making contrasts with the scarcity of work on the validity of the statistics used in these studies. Our study aims at 1 determining whether variation in utilization rates between health areas is higher than would be expected by chance, 2 estimating the statistical power of the variation statistics; and 3 evaluating the ability of different statistics to compare the variability among different procedures regardless of their rates. Methods Parametric bootstrap techniques were used to derive the empirical distribution for each statistic under the hypothesis of homogeneity across areas. Non-parametric procedures were used to analyze the empirical distribution for the observed statistics and compare the results in six situations (low/medium/high utilization rates and low/high variability. A small scale simulation study was conducted to assess the capacity of each statistic to discriminate between different scenarios with different degrees of variation. Results Bootstrap techniques proved to be good at quantifying the difference between the null hypothesis and the variation observed in each situation, and to construct reliable tests and confidence intervals for each of the variation statistics analyzed. Although the good performance of Systematic Component of Variation (SCV, Empirical Bayes (EB statistic shows better behaviour under the null hypothesis, it is able to detect variability if present, it is not influenced by the procedure rate and it is best able to discriminate between different degrees of heterogeneity. Conclusion The EB statistics seems to be a good alternative to more conventional statistics used in small-area variation analysis in health service research because of its robustness.
Existence of evolutionary variational solutions via the calculus of variations
Bögelein, Verena; Duzaar, Frank; Marcellini, Paolo
In this paper we introduce a purely variational approach to time dependent problems, yielding the existence of global parabolic minimizers, that is ∫0T ∫Ω [uṡ∂tφ+f(x,Du)] dx dt⩽∫0T ∫Ω f(x,Du+Dφ) dx dt, whenever T>0 and φ∈C0∞(Ω×(0,T),RN). For the integrand f:Ω×R→[0,∞] we merely assume convexity with respect to the gradient variable and coercivity. These evolutionary variational solutions are obtained as limits of maps depending on space and time minimizing certain convex variational functionals. In the simplest situation, with some growth conditions on f, the method provides the existence of global weak solutions to Cauchy-Dirichlet problems of parabolic systems of the type ∂tu-divDξf(x,Du)=0 in Ω×(0,∞).
Seasonal variation in sports participation.
Schüttoff, Ute; Pawlowski, Tim
2018-02-01
This study explores indicators describing socio-demographics, sports participation characteristics and motives which are associated with variation in sports participation across seasons. Data were drawn from the German Socio-Economic Panel which contains detailed information on the sports behaviour of adults in Germany. Overall, two different measures of seasonal variation are developed and used as dependent variables in our regression models. The first variable measures the coefficient of (seasonal) variation in sport-related energy expenditure per week. The second variable measures whether activity drops below the threshold as defined by the World Health Organization (WHO). Results suggest that the organisational setting, the intensity and number of sports practised, and the motive for participation are strongly correlated with the variation measures used. For example, both, participation in a sports club and a commercial facility, are associated with reduced seasonal variation and a significantly higher probability of participating at a volume above the WHO threshold across all seasons. These findings give some impetus for policymaking and the planning of sports programmes as well as future research directions.
Understanding human DNA sequence variation.
Kidd, K K; Pakstis, A J; Speed, W C; Kidd, J R
2004-01-01
Over the past century researchers have identified normal genetic variation and studied that variation in diverse human populations to determine the amounts and distributions of that variation. That information is being used to develop an understanding of the demographic histories of the different populations and the species as a whole, among other studies. With the advent of DNA-based markers in the last quarter century, these studies have accelerated. One of the challenges for the next century is to understand that variation. One component of that understanding will be population genetics. We present here examples of many of the ways these new data can be analyzed from a population perspective using results from our laboratory on multiple individual DNA-based polymorphisms, many clustered in haplotypes, studied in multiple populations representing all major geographic regions of the world. These data support an "out of Africa" hypothesis for human dispersal around the world and begin to refine the understanding of population structures and genetic relationships. We are also developing baseline information against which we can compare findings at different loci to aid in the identification of loci subject, now and in the past, to selection (directional or balancing). We do not yet have a comprehensive understanding of the extensive variation in the human genome, but some of that understanding is coming from population genetics.
Normal variation of hepatic artery
International Nuclear Information System (INIS)
Kim, Inn; Nam, Myung Hyun; Rhim, Hyun Chul; Koh, Byung Hee; Seo, Heung Suk; Kim, Soon Yong
1987-01-01
This study was an analyses of blood supply of the liver in 125 patients who received hepatic arteriography and abdominal aortography from Jan. 1984 to Dec. 1986 at the Department of Radiology of Hanyang University Hospital. A. Variations in extrahepatic arteries: 1. The normal extrahepatic artery pattern occurred in 106 of 125 cases (84.8%) ; Right hepatic and left hepatic arteries arising from the hepatic artery proper and hepatic artery proper arising from the common hepatic artery. 2. The most common type of variation of extrahepatic artery was replaced right hepatic artery from superior mesenteric artery: 6 of 125 cases (4.8%). B. Variations in intrahepatic arteries: 1. The normal intrahepatic artery pattern occurred in 83 of 125 cases (66.4%). Right hepatic and left hepatic arteries arising from the hepatic artery proper and middle hepatic artery arising from lower portion of the umbilical point of left hepatic artery. 2. The most common variation of intrahepatic arteries was middle hepatic artery. 3. Among the variation of middle hepatic artery; Right, middle and left hepatic arteries arising from the same location at the hepatic artery proper was the most common type; 17 of 125 cases (13.6%)
Variational principles for nonpotential operators
Filippov, V M
1989-01-01
This book develops a variational method for solving linear equations with B-symmetric and B-positive operators and generalizes the method to nonlinear equations with nonpotential operators. The author carries out a constructive extension of the variational method to "nonvariational" equations (including parabolic equations) in classes of functionals which differ from the Euler-Lagrange functionals. In this connection, some new functions spaces are considered. Intended for mathematicians working in the areas of functional analysis and differential equations, this book would also prove useful for researchers in other areas and students in advanced courses who use variational methods in solving linear and nonlinear boundary value problems in continuum mechanics and theoretical physics.
Solid mechanics a variational approach
Dym, Clive L
2013-01-01
Solid Mechanics: A Variational Approach, Augmented Edition presents a lucid and thoroughly developed approach to solid mechanics for students engaged in the study of elastic structures not seen in other texts currently on the market. This work offers a clear and carefully prepared exposition of variational techniques as they are applied to solid mechanics. Unlike other books in this field, Dym and Shames treat all the necessary theory needed for the study of solid mechanics and include extensive applications. Of particular note is the variational approach used in developing consistent structural theories and in obtaining exact and approximate solutions for many problems. Based on both semester and year-long courses taught to undergraduate seniors and graduate students, this text is geared for programs in aeronautical, civil, and mechanical engineering, and in engineering science. The authors’ objective is two-fold: first, to introduce the student to the theory of structures (one- and two-dimensional) as ...
Variational methods in molecular modeling
2017-01-01
This book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-consistent-field theories, phase-field methods, Ginzburg-Landau and Helfrich-type phenomenological models, dynamical density functional theory, and variational Monte Carlo methods. Illustrative examples are given to facilitate understanding of the basic concepts and quantitative prediction of the properties and rich behavior of diverse many-body systems ranging from inhomogeneous fluids, electrolytes and ionic liquids in micropores, colloidal dispersions, liquid crystals, polymer blends, lipid membranes, microemulsions, magnetic materials and high-temperature superconductors. All chapters are written by leading experts in the field and illustrated with tutorial examples for their practical applications to specific subjects. With emphasis placed on physical unders...
Structure variations of carbonizing lignin
International Nuclear Information System (INIS)
Otani, C.; Polidoro, H.A.; Otani, S.; Craievich, A.F.
1984-01-01
The studied lignin is a by-product of the process of ethanol production from eucaliptus. It was heat-treated under inert atmosphere conditions at increasing temperatures from 300C up to 2400C. The structural variations were studied by wide-angle X-ray diffraction, small-angle X-ray scattering and infrared absorption spectroscopy. The bulk and 'real' density of the compacted materials have also been determined as functions of the final temperature. These experimental results enabled us to establish a mechanism of structure variation based on the formation of a turbostratic graphite-like and porous structure within the initially amorphous lignin matrix. (Author) [pt
Biological variation of cystatin C
DEFF Research Database (Denmark)
Reinhard, Mark; Erlandsen, Erland; Randers, Else
2009-01-01
Introduction: Cystatin C has been investigated as a marker of the glomerular filtration rate. However, previous studies have reported conflicting results concerning the biological variation of cystatin C. The aim of the present study was to evaluate the biological variation of cystatin C...... in comparison to creatinine. Methods: Eight weekly morning blood samples were taken from twenty healthy volunteers (13 females, 7 males) aged 25-61 years. Mean creatinine clearance was 99.7 ml/min/1.73 m2 (range 61.8-139.5) and mean body mass index 23.9 kg/m2 (range 20.3-28.7). A total of 155 samples were...
Variational principle in quantum mechanics
International Nuclear Information System (INIS)
Popiez, L.
1986-01-01
The variational principle in a standard, path integral formulation of quantum mechanics (as proposed by Dirac and Feynman) appears only in the context of a classical limit n to 0 and manifests itself through the method of abstract stationary phase. Symbolically it means that a probability amplitude averaged over trajectories denotes a classical evolution operator for points in a configuration space. There exists, however, the formulation of quantum dynamics in which variational priniple is one of basic postulates. It is explained that the translation between stochastic and quantum mechanics in this case can be understood as in Nelson's stochastic mechanics
A survey of variational principles
International Nuclear Information System (INIS)
Lewins, J.D.
1993-01-01
The survey of variational principles has ranged widely from its starting point in the Lagrange multiplier to optimisation principles. In an age of digital computation, these classic methods can be adapted to improve such calculations. We emphasize particularly the advantage of basing finite element methods on variational principles, especially if, as maximum and minimum principles, these can provide bounds and hence estimates of accuracy. The non-symmetric (and hence stationary rather than extremum principles) are seen however to play a significant role in optimisation theory. (Orig./A.B.)
Variational linear algebraic equations method
International Nuclear Information System (INIS)
Moiseiwitsch, B.L.
1982-01-01
A modification of the linear algebraic equations method is described which ensures a variational bound on the phaseshifts for potentials having a definite sign at all points. The method is illustrated by the elastic scattering of s-wave electrons by the static field of atomic hydrogen. (author)
Visualization of Variation and Variability
Busking, S.
2014-01-01
As datasets grow in size and complexity, the importance of comparison as a tool for analysis is growing. We define comparison as the act of analyzing variation or variability based on two or more specific instances of the data. This thesis explores a number of cases spread across the range of
Regularization of Nonmonotone Variational Inequalities
International Nuclear Information System (INIS)
Konnov, Igor V.; Ali, M.S.S.; Mazurkevich, E.O.
2006-01-01
In this paper we extend the Tikhonov-Browder regularization scheme from monotone to rather a general class of nonmonotone multivalued variational inequalities. We show that their convergence conditions hold for some classes of perfectly and nonperfectly competitive economic equilibrium problems
Sea level and climate variations
Oerlemans, J.
1985-01-01
Review paper, ESA Symposium on Application of Satellite Data to Climate Modelling. Alpbach (Austria) Sea level is an essential component of the climate system, on which many human activities in the coastal zone depend. Climate variations leading to changes in relative sea level are
On quadratic variation of martingales
Indian Academy of Sciences (India)
On quadratic variation of martingales. 459. The proof relied on the theory of stochastic integration. Subsequently, in Karandikar. [4], the formula was derived using only Doob's maximal inequality. Thus this could be the starting point for the development of stochastic calculus for continuous semimartingales without bringing in ...
Evolutionary significance of epigenetic variation
Richards, C.L.; Verhoeven, K.J.F.; Bossdorf, O.; Wendel, J.F.; Greilhuber, J.; Dolezel, J.; Leitch, I.J.
2012-01-01
Several chapters in this volume demonstrate how epigenetic work at the molecular level over the last few decades has revolutionized our understanding of genome function and developmental biology. However, epigenetic processes not only further our understanding of variation and regulation at the
Genetisk variation og langt liv
DEFF Research Database (Denmark)
Sørensen, Mette
2013-01-01
andre ikke gør. I dette ph.d.-projekt undersøgte vi sammenhængen mellem levetid og variation i tre biologiske skadesprocesser. De tre er: antioxidanter, væksthormon/insulin-signalering og DNA-reparation. Vi fandt nye genvariationer, hvoraf nogle har positiv indflydelse på chancen for at blive meget...
Linking numbers and variational method
International Nuclear Information System (INIS)
Oda, I.; Yahikozawa, S.
1989-09-01
The ordinary and generalized linking numbers for two surfaces of dimension p and n-p-1 in an n dimensional manifold are derived. We use a variational method based on the properties of topological quantum field theory in order to derive them. (author). 13 refs, 2 figs
Spatial variation in messaging effects
Warshaw, Christopher
2018-05-01
There is large geographic variation in the public's views about climate change in the United States. Research now shows that climate messages can influence public beliefs about the scientific consensus on climate change, particularly in the places that are initially more skeptical.
Variational integrators in plasma physics
Energy Technology Data Exchange (ETDEWEB)
Kraus, Michael
2013-07-01
To a large extent, research in plasma physics is concerned with the description and analysis of energy and momentum transfer between different scales and different kinds of waves. In the numerical modelling of such phenomena it appears to be crucial to describe the transfer processes preserving the underlying conservation laws in order to prevent physically spurious solutions. In this work, special numerical methods, so called variational integrators, are developed for several models of plasma physics. Special attention is given to conservation properties like conservation of energy and momentum. By design, variational integrators are applicable to all systems that have a Lagrangian formulation. Usually, equations of motion are derived by Hamilton's action principle and then discretised. In the application of the variational integrator theory, the order of these steps is reversed. At first, the Lagrangian and the accompanying variational principle are discretised, such that discrete equations of motion can be obtained directly by applying the discrete variational principle to the discrete Lagrangian. The advantage of this approach is that the resulting discretisation automatically retains the conservation properties of the continuous system. Following an overview of the geometric formulation of classical mechanics and field theory, which forms the basis of the variational integrator theory, variational integrators are introduced in a framework adapted to problems from plasma physics. The applicability of variational integrators is explored for several important models of plasma physics: particle dynamics (guiding centre dynamics), kinetic theory (the Vlasov-Poisson system) and fluid theory (magnetohydrodynamics). These systems, with the exception of guiding centre dynamics, do not possess a Lagrangian formulation to which the variational integrator methodology is directly applicable. Therefore the theory is extended by linking it to Ibragimov's theory of
Variational integrators in plasma physics
International Nuclear Information System (INIS)
Kraus, Michael
2013-01-01
To a large extent, research in plasma physics is concerned with the description and analysis of energy and momentum transfer between different scales and different kinds of waves. In the numerical modelling of such phenomena it appears to be crucial to describe the transfer processes preserving the underlying conservation laws in order to prevent physically spurious solutions. In this work, special numerical methods, so called variational integrators, are developed for several models of plasma physics. Special attention is given to conservation properties like conservation of energy and momentum. By design, variational integrators are applicable to all systems that have a Lagrangian formulation. Usually, equations of motion are derived by Hamilton's action principle and then discretised. In the application of the variational integrator theory, the order of these steps is reversed. At first, the Lagrangian and the accompanying variational principle are discretised, such that discrete equations of motion can be obtained directly by applying the discrete variational principle to the discrete Lagrangian. The advantage of this approach is that the resulting discretisation automatically retains the conservation properties of the continuous system. Following an overview of the geometric formulation of classical mechanics and field theory, which forms the basis of the variational integrator theory, variational integrators are introduced in a framework adapted to problems from plasma physics. The applicability of variational integrators is explored for several important models of plasma physics: particle dynamics (guiding centre dynamics), kinetic theory (the Vlasov-Poisson system) and fluid theory (magnetohydrodynamics). These systems, with the exception of guiding centre dynamics, do not possess a Lagrangian formulation to which the variational integrator methodology is directly applicable. Therefore the theory is extended by linking it to Ibragimov's theory of
Directory of Open Access Journals (Sweden)
S. S. Ghosh
2004-01-01
Full Text Available The presence of dynamic, large amplitude solitary waves in the auroral regions of space is well known. Since their velocities are of the order of the ion acoustic speed, they may well be considered as being generated from the nonlinear evolution of ion acoustic waves. However, they do not show the expected width-amplitude correlation for K-dV solitons. Recent POLAR observations have actually revealed that the low altitude rarefactive ion acoustic solitary waves are associated with an increase in the width with increasing amplitude. This indicates that a weakly nonlinear theory is not appropriate to describe the solitary structures in the auroral regions. In the present work, a fully nonlinear analysis based on Sagdeev pseudopotential technique has been adopted for both parallel and oblique propagation of rarefactive solitary waves in a two electron temperature multi-ion plasma. The large amplitude solutions have consistently shown an increase in the width with increasing amplitude. The width-amplitude variation profile of obliquely propagating rarefactive solitary waves in a magnetized plasma have been compared with the recent POLAR observations. The width-amplitude variation pattern is found to fit well with the analytical results. It indicates that a fully nonlinear theory of ion acoustic solitary waves may well explain the observed anomalous width variations of large amplitude structures in the auroral region.
General inverse problems for regular variation
DEFF Research Database (Denmark)
Damek, Ewa; Mikosch, Thomas Valentin; Rosinski, Jan
2014-01-01
Regular variation of distributional tails is known to be preserved by various linear transformations of some random structures. An inverse problem for regular variation aims at understanding whether the regular variation of a transformed random object is caused by regular variation of components ...
Quinn, Terry; Rai, Sanjay
2012-01-01
The method of variation of parameters can be found in most undergraduate textbooks on differential equations. The method leads to solutions of the non-homogeneous equation of the form y = u[subscript 1]y[subscript 1] + u[subscript 2]y[subscript 2], a sum of function products using solutions to the homogeneous equation y[subscript 1] and…
Outdoor radon variation in Romania
International Nuclear Information System (INIS)
Simion, Elena; Simion, Florin
2008-01-01
Full text: The results of a long-term survey (1992 - 2006) of the variations of outdoor radon concentrations in semi-natural location from Romania are reported in the present paper. Measurements, covering between two and four sessions of the day (morning, afternoon, evening and night), were performed on a daily bases by 37 Environmental Radioactivity Monitoring Stations from National Environmental Radioactivity Survey Network. The method used was based on indirect determination of outdoor radon from aerosol samples collected on glass micro-fibre filters by drawing the air through the filters. The sampling was performed in a fixed place at a height of 2 m above the ground surface. Total beta counting of aerosol samples collected was performed immediately and after 20 hours. Values recorded during the years of continuous measurement indicated the presence of several patterns in the long-term variation of outdoor radon concentration: diurnal, seasonal and annual variation. For diurnal variation, outdoor radon concentration shows a maximum values in the night (early hours) and minimum values by day (in the afternoon). On average, this maximum is a factor of 2 higher than the minimum. Late autumn - beginning of winter maximum and an early spring minimum are characteristic for seasonal patterns. In the long term a seasonal pattern was observed for diurnal variation, with an average diurnal maximum to minimum ratio of 1.33 in winter compared with 3.0 in the summer months. The variations of outdoor radon levels showed little correlation with the uranium concentration of the ground and were attributed to changes in soil moisture content. In dry seasons, because of the low precipitation, the soil was drying out in the summer allowing fractures to develop and radon to migrate easily through the ground. Depending on micro-climatic and geological conditions, outdoor radon average concentrations in different regions of Romania are from 1200 mBq/mc to 13065 mBq/mc. The smallest
Energy Technology Data Exchange (ETDEWEB)
Bordenave-Montesquieu, A.; Benoit-Cattin, P.; Gleizes, A.; Marrakchi, A.I.; Dousson, S.; Hitz, D.
1984-04-14
Double electron transfer into autoionising states N/sup 4 +/(1snln'l'), with n = 2,3,4 and n' >= n has been observed in a collision between a one-electron highly charged N/sup 6 +/(1s) ion and a two-electron target (He or H/sub 2/), by electron spectrometry. The same configurations are excited in the two collisional systems but with very different probabilities. Electron capture mainly occurs into 1s2ln'l' in He-systems whereas transfer into 1s3ln'l' is stronger in H/sub 2/ systems.
Environmental variation partitioned into separate heritable components
DEFF Research Database (Denmark)
Ørsted, Michael; Rohde, Palle Duun; Hoffmann, Ary A
2018-01-01
Trait variation is normally separated into genetic and environmental components, yet genetic factors also control the expression of environmental variation, encompassing plasticity across environmental gradients and within-environment responses. We defined four components of environmental variation......: plasticity across environments, variability in plasticity, variation within environments, and differences in within-environment variation across environments. We assessed these components for cold tolerance across five rearing temperatures using the Drosophila melanogaster Genetic Reference Panel (DGRP...
Ethnic variations in lung cancer.
Groeger, A M; Mueller, M R; Odocha, O; Dekan, G; Salat, A; Röthy, W; Esposito, V; Caputi, M; Wolner, E; Kaiser, H E
1997-01-01
Cancer of the lung is the most frequent cancer in the world, but with wide geographical variation in risk. It is most spread among males of all races worldwide, the only exception being its incidence among Chinese women aged 70 years and older. When comparing the different ethnic groups we have to consider that besides inhaling cigarette smoke actively or as a passive smoker the exposure to occupational carcinogens varies considerably according to different work places. In our study we compared 10 years of data from African-Americans in Howard University Hospital, Washington D.C. with 20 years of data from the white population in the University Hospital of Vienna, Austria. Ethnic patterns are generally consistent within each group in terms of both incidence and mortality. The difference in susceptibility between the sexes, the three major racial groups and already proven differences in genetic variations indicate the difference between individuals concerning the initiation and progression of lung cancer.
Variational principles for dissipative waves
Dodin, I. Y.; Ruiz, D. E.
2016-10-01
Variational methods are a powerful tool in plasma theory. However, their applications are typically restricted to conservative systems or require doubling of variables, which often contradicts the purpose of the variational approach altogether. We show that these restrictions can be relaxed for some classes of dynamical systems that are of practical interest in plasma physics, particularly including dissipative plasma waves. Applications will be discussed to calculating dispersion relations and modulational dynamics of individual plasma waves and wave ensembles. The work was supported by the NNSA SSAA Program through DOE Research Grant No. DE-NA0002948, by the U.S. DOE through Contract No. DE-AC02-09CH11466, and by the U.S. DOD NDSEG Fellowship through Contract No. 32-CFR-168a.
Periodic weather and climate variations
International Nuclear Information System (INIS)
Ivanov, Vladimir V
2002-01-01
Variations in meteorological parameters are largely due to periodic processes and can be forecast for several years. Many such processes are related to astronomical factors such as the gravitational influences of the Moon and the Sun, and the modulation of solar irradiance by lunar and planetary motion. The Moon, Jupiter, and Venus have the strongest effect. These influences produce lines in the spectra of meteorological variations, which are combinations of the harmonics of the frequencies of revolution of the planets, the Earth, and the Moon around the Sun with the harmonics of the lunar revolution around the Earth. Due to frequency differences between the orbital and radial motions, fine spectral features of three types appear: line splitting, line-profile complications due to radial oscillations, and additional lines due to the combination of radial-oscillation frequencies with perturbation harmonics. (reviews of topical problems)
VARIATIONAL PRINCIPLE FOR PLANETARY INTERIORS
International Nuclear Information System (INIS)
Zeng, Li; Jacobsen, Stein B.
2016-01-01
In the past few years, the number of confirmed planets has grown above 2000. It is clear that they represent a diversity of structures not seen in our own solar system. In addition to very detailed interior modeling, it is valuable to have a simple analytical framework for describing planetary structures. The variational principle is a fundamental principle in physics, entailing that a physical system follows the trajectory, which minimizes its action. It is alternative to the differential equation formulation of a physical system. Applying the variational principle to the planetary interior can beautifully summarize the set of differential equations into one, which provides us some insight into the problem. From this principle, a universal mass–radius relation, an estimate of the error propagation from the equation of state to the mass–radius relation, and a form of the virial theorem applicable to planetary interiors are derived.
Variational approach in transport theory
International Nuclear Information System (INIS)
Panta Pazos, R.; Tullio de Vilhena, M.
2004-01-01
In this work we present a variational approach to some methods to solve transport problems of neutral particles. We consider a convex domain X (for example the geometry of a slab, or a convex set in the plane, or a convex bounded set in the space) and we use discrete ordinates quadrature to get a system of differential equations derived from the neutron transport equation. The boundary conditions are vacuum for a subset of the boundary, and of specular reflection for the complementary subset of the boundary. Recently some different approximation methods have been presented to solve these transport problems. We introduce in this work the adjoint equations and the conjugate functions obtained by means of the variational approach. First we consider the general formulation, and then some numerical methods such as spherical harmonics and spectral collocation method. (authors)
Variational approach in transport theory
Energy Technology Data Exchange (ETDEWEB)
Panta Pazos, R. [Nucler Engineering Department, UFRGS, Porto-Alegre (Brazil); Tullio de Vilhena, M. [Institute of Mathematics, UFRGS, Porto-Alegre (Brazil)
2004-07-01
In this work we present a variational approach to some methods to solve transport problems of neutral particles. We consider a convex domain X (for example the geometry of a slab, or a convex set in the plane, or a convex bounded set in the space) and we use discrete ordinates quadrature to get a system of differential equations derived from the neutron transport equation. The boundary conditions are vacuum for a subset of the boundary, and of specular reflection for the complementary subset of the boundary. Recently some different approximation methods have been presented to solve these transport problems. We introduce in this work the adjoint equations and the conjugate functions obtained by means of the variational approach. First we consider the general formulation, and then some numerical methods such as spherical harmonics and spectral collocation method. (authors)
Tidal variations of earth rotation
Yoder, C. F.; Williams, J. G.; Parke, M. E.
1981-01-01
The periodic variations of the earths' rotation resulting from the tidal deformation of the earth by the sun and moon were rederived including terms with amplitudes of 0.002 millisec and greater. The series applies to the mantle, crust, and oceans which rotate together for characteristic tidal periods; the scaling parameter is the ratio of the fraction of the Love number producing tidal variations in the moment of inertia of the coupled mantle and oceans (k) to the dimensionless polar moment of inertia of the coupled moments (C). The lunar laser ranging data shows that k/C at monthly and fortnightly frequencies equals 0.99 + or - 0.15 and 0.99 + or - 0.20 as compared to the theoretical value of 0.94 + or - 0.04.
Decadal variations in groundwater quality
DEFF Research Database (Denmark)
Jessen, Søren; Postma, Dieke; Thorling, Lærke
2017-01-01
Twenty-five years of groundwater quality monitoring in a sandy aquifer beneath agricultural fields showed large temporal and spatial variations in major ion groundwater chemistry, which were linked closely to the nitrate (NO3) content of agricultural recharge. Between 1988 and 2013, the NO3 content...... of water in the oxidized zone of the aquifer nearly halved, following implementation of action plans to reduce N leaching from agriculture. However, due to denitrification by pyrite oxidation in the aquifer, a plume of sulfate-rich water migrates through the aquifer as a legacy of the historical NO3...... loading. Agriculture thus is an important determinant of major ion groundwater chemistry. Temporal and spatial variations in the groundwater quality were simulated using a 2D reactive transport model, which combined effects of the historical NO3 leaching and denitrification, with dispersive mixing...
Quantitative variation in natural populations
International Nuclear Information System (INIS)
Parsons, P.A.
1975-01-01
Quantitative variation is considered in natural populations using Drosophila as the example. A knowledge of such variation enables its rapid exploitation in directional selection experiments as shown for scutellar chaeta number. Where evidence has been obtained, genetic architectures are in qualitative agreement with Mather's concept of balance for traits under stabilizing selection. Additive genetic control is found for acute environmental stresses, but not for less acute stresses as shown by exposure to 60 Co-γ rays. D. simulans probably has a narrower ecological niche than its sibling species D. melanogaster associated with lower genetic heterogeneity. One specific environmental stress to which D. simulans is sensitive in nature is ethyl alcohol as shown by winery data. (U.S.)
Bernoulli Variational Problem and Beyond
Lorz, Alexander
2013-12-17
The question of \\'cutting the tail\\' of the solution of an elliptic equation arises naturally in several contexts and leads to a singular perturbation problem under the form of a strong cut-off. We consider both the PDE with a drift and the symmetric case where a variational problem can be stated. It is known that, in both cases, the same critical scale arises for the size of the singular perturbation. More interesting is that in both cases another critical parameter (of order one) arises that decides when the limiting behaviour is non-degenerate. We study both theoretically and numerically the values of this critical parameter and, in the symmetric case, ask if the variational solution leads to the same value as for the maximal solution of the PDE. Finally we propose a weak formulation of the limiting Bernoulli problem which incorporates both Dirichlet and Neumann boundary condition. © 2013 Springer-Verlag Berlin Heidelberg.
Coarse Grained Exponential Variational Autoencoders
Sun, Ke
2017-02-25
Variational autoencoders (VAE) often use Gaussian or category distribution to model the inference process. This puts a limit on variational learning because this simplified assumption does not match the true posterior distribution, which is usually much more sophisticated. To break this limitation and apply arbitrary parametric distribution during inference, this paper derives a \\\\emph{semi-continuous} latent representation, which approximates a continuous density up to a prescribed precision, and is much easier to analyze than its continuous counterpart because it is fundamentally discrete. We showcase the proposition by applying polynomial exponential family distributions as the posterior, which are universal probability density function generators. Our experimental results show consistent improvements over commonly used VAE models.
On Quadratic Variation of Martingales
Indian Academy of Sciences (India)
where D ( [ 0 , ∞ ) , R ) denotes the class of real valued r.c.l.l. functions on [ 0 , ∞ ) such that for a locally square integrable martingale ( M t ) with r.c.l.l. paths,. Ψ ( M . ( ) ) = A . ( ). gives the quadratic variation process (written usually as [ M , M ] t ) of ( M t ) . We also show that this process ( A t ) is the unique increasing ...
Fractional variational principles in action
Energy Technology Data Exchange (ETDEWEB)
Baleanu, Dumitru [Department of Mathematics and Computer Science, Faculty of Art and Sciences, Cankaya University, 06530 Ankara (Turkey); Institute of Space Sciences, PO Box MG-23, R 76900, Magurele-Bucharest (Romania)], E-mail: dumitru@cankaya.edu.tr
2009-10-15
The fractional calculus has gained considerable importance in various fields of science and engineering, especially during the last few decades. An open issue in this emerging field is represented by the fractional variational principles area. Therefore, the fractional Euler-Lagrange and Hamilton equations started to be examined intensely during the last decade. In this paper, we review some new trends in this field and we discuss some of their potential applications.
Variations of posterior vitreous detachment
Kakehashi, A.; Kado, M.; Akiba, J.; Hirokawa, H.
1997-01-01
AIMS—To identify variations in posterior vitreous detachment (PVD) and establish a clinical classification system for PVD. METHODS—400 consecutive eyes were examined using biomicroscopy and vitreous photography and classified the PVD variations—complete PVD with collapse, complete PVD without collapse, partial PVD with thickened posterior vitreous cortex (TPVC), or partial PVD without TPVC. RESULTS—In each PVD type, the most frequently seen ocular pathologies were as follows: in complete PVD ...
Deep Feature Consistent Variational Autoencoder
Hou, Xianxu; Shen, Linlin; Sun, Ke; Qiu, Guoping
2016-01-01
We present a novel method for constructing Variational Autoencoder (VAE). Instead of using pixel-by-pixel loss, we enforce deep feature consistency between the input and the output of a VAE, which ensures the VAE's output to preserve the spatial correlation characteristics of the input, thus leading the output to have a more natural visual appearance and better perceptual quality. Based on recent deep learning works such as style transfer, we employ a pre-trained deep convolutional neural net...
Variational integrators for reduced magnetohydrodynamics
Energy Technology Data Exchange (ETDEWEB)
Kraus, Michael, E-mail: michael.kraus@ipp.mpg.de [Max-Planck-Institut für Plasmaphysik, Boltzmannstraße 2, 85748 Garching (Germany); Technische Universität München, Zentrum Mathematik, Boltzmannstraße 3, 85748 Garching (Germany); Tassi, Emanuele, E-mail: tassi@cpt.univ-mrs.fr [Aix-Marseille Université, Université de Toulon, CNRS, CPT, UMR 7332, 163 avenue de Luminy, case 907, 13288 cedex 9 Marseille (France); Grasso, Daniela, E-mail: daniela.grasso@infm.polito.it [ISC-CNR and Politecnico di Torino, Dipartimento Energia, C.so Duca degli Abruzzi 24, 10129 Torino (Italy)
2016-09-15
Reduced magnetohydrodynamics is a simplified set of magnetohydrodynamics equations with applications to both fusion and astrophysical plasmas, possessing a noncanonical Hamiltonian structure and consequently a number of conserved functionals. We propose a new discretisation strategy for these equations based on a discrete variational principle applied to a formal Lagrangian. The resulting integrator preserves important quantities like the total energy, magnetic helicity and cross helicity exactly (up to machine precision). As the integrator is free of numerical resistivity, spurious reconnection along current sheets is absent in the ideal case. If effects of electron inertia are added, reconnection of magnetic field lines is allowed, although the resulting model still possesses a noncanonical Hamiltonian structure. After reviewing the conservation laws of the model equations, the adopted variational principle with the related conservation laws is described both at the continuous and discrete level. We verify the favourable properties of the variational integrator in particular with respect to the preservation of the invariants of the models under consideration and compare with results from the literature and those of a pseudo-spectral code.
Diurnal variations of Titan's ionosphere
Cui, J.; Galand, M.; Yelle, R. V.; Vuitton, V.; Wahlund, J.-E.; Lavvas, P. P.; Müller-Wodarg, I. C. F.; Cravens, T. E.; Kasprzak, W. T.; Waite, J. H.
2009-06-01
We present our analysis of the diurnal variations of Titan's ionosphere (between 1000 and 1300 km) based on a sample of Ion Neutral Mass Spectrometer (INMS) measurements in the Open Source Ion (OSI) mode obtained from eight close encounters of the Cassini spacecraft with Titan. Although there is an overall ion depletion well beyond the terminator, the ion content on Titan's nightside is still appreciable, with a density plateau of ˜700 cm-3 below ˜1300 km. Such a plateau is a combined result of significant depletion of light ions and modest depletion of heavy ones on Titan's nightside. We propose that the distinctions between the diurnal variations of light and heavy ions are associated with their different chemical loss pathways, with the former primarily through “fast” ion-neutral chemistry and the latter through “slow” electron dissociative recombination. The strong correlation between the observed night-to-day ion density ratios and the associated ion lifetimes suggests a scenario in which the ions created on Titan's dayside may survive well to the nightside. The observed asymmetry between the dawn and dusk ion density profiles also supports such an interpretation. We construct a time-dependent ion chemistry model to investigate the effect of ion survival associated with solid body rotation alone as well as superrotating horizontal winds. For long-lived ions, the predicted diurnal variations have similar general characteristics to those observed. However, for short-lived ions, the model densities on the nightside are significantly lower than the observed values. This implies that electron precipitation from Saturn's magnetosphere may be an additional and important contributor to the densities of the short-lived ions observed on Titan's nightside.
Genetic variation in dieback resistance
DEFF Research Database (Denmark)
Lobo, Albin; Hansen, Jon Kehlet; McKinney, Lea Vig
2014-01-01
-eastern Zealand, Denmark, and confirmed the presence of substantial genetic variation in ash dieback susceptibility. The average crown damage increased in the trial from 61% in 2009 to 66% in 2012 and 72% in 2014, while the estimated heritability was 0.42 in both 2009 and 2012 but increased to 0.53 in 2014....... Genetic correlation between assessments was 0.88 between 2009 and 2012 and 0.91 between 2009 and 2014, suggesting fairly good possibilities for early selection of superior genotypes in the presence of high infection levels in the trial. The level of crown damage had strong negative effect on growth...
Quadratic Variation by Markov Chains
DEFF Research Database (Denmark)
Hansen, Peter Reinhard; Horel, Guillaume
We introduce a novel estimator of the quadratic variation that is based on the the- ory of Markov chains. The estimator is motivated by some general results concerning filtering contaminated semimartingales. Specifically, we show that filtering can in prin- ciple remove the effects of market...... microstructure noise in a general framework where little is assumed about the noise. For the practical implementation, we adopt the dis- crete Markov chain model that is well suited for the analysis of financial high-frequency prices. The Markov chain framework facilitates simple expressions and elegant analyti...
Variational collocation on finite intervals
International Nuclear Information System (INIS)
Amore, Paolo; Cervantes, Mayra; Fernandez, Francisco M
2007-01-01
In this paper, we study a set of functions, defined on an interval of finite width, which are orthogonal and which reduce to the sinc functions when the appropriate limit is taken. We show that these functions can be used within a variational approach to obtain accurate results for a variety of problems. We have applied them to the interpolation of functions on finite domains and to the solution of the Schroedinger equation, and we have compared the performance of the present approach with others
Neodymium isotopic variations in seawater
Piepgras, D. J.; Wasserburg, G. J.
1980-01-01
Direct measurement of the isotopic composition of Nd in the Atlantic agree with the Nd content in ferromanganese sediments and differ from the observed amounts in the Pacific samples. These data indicate the existence of distinctive differences in the isotopic composition of Nd in the waters of major oceans; the average values determined from seawater and ferromanganese sediments are considerably lower than in sources with oceanic mantle affinities showing that the REE in the oceans is dominated by continental sources. The Nd isotopic variations in seawater are applied to relate the residence time of Nd and mixing rates between the oceans.
Solar cycles and climate variations
International Nuclear Information System (INIS)
Chistyakov, V.F.
1990-01-01
Climate oscillations with 100-, 200- and 300-year periods are positively correlated with solar activity oscillations: the higher is solar activity the warmer is climate. According to geological data (varved clays) it is determined, that length of cycles has decreased from 23.4 up to 11 years during latter 2.5 billion years. 12-year cycles occurred during the great glaciation periods, while 10-year cycles occurred during interglaciation periods. It is suggested, that these oscillations are related with variations of the solar activity and luminescence
Vascular Variations Associated with Intracranial Aneurysms.
Orakdogen, Metin; Emon, Selin Tural; Somay, Hakan; Engin, Taner; Is, Merih; Hakan, Tayfun
2017-01-01
To investigate the vascular variations in patients with intracranial aneurysm in circle of Willis. We used the data on 128 consecutive intracranial aneurysm cases. Cerebral angiography images were analyzed retrospectively. Arteries were grouped as anterior cerebral arterial system (ACS), posterior cerebral arterial system (PCS) and middle cerebral arterial system (MCS) for grouping vascular variations. Lateralization, being single/multiple, gender; and also any connection with accompanying aneurysms" number, localization, dimension, whether bleeding/incidental aneurysm has been inspected. Variations were demonstrated in 57.8% of the cases. The most common variation was A1 variation (34.4%). The rate of variations was 36.7%, 24.2% and 10.2% respectively in ACS, PCS and MCS. MCS variations were significantly higher in males. Anterior communicating artery (ACoA) aneurysm observance rates were significantly higher and posterior communicating artery (PCoA) aneurysm and middle cerebral artery (MCA) aneurysm observance rates were significantly lower when compared to "no ACS variation detected" cases. In "PCS variation detected" cases, PCoA aneurysm observance rates and coexistence of multiple variations were significantly higher. The rate of vascular variations in patients with aneurysms was 57.8%. Arterial hypoplasia and aplasia were the most common variations. ACS was the most common region that variations were located in; they were mostly detected on the right side. Coexistence of ACoA aneurysm was higher than PCoA and MCA aneurysms. In the PCS variations group, PCoA aneurysms were the most common aneurysms that accompanying the variation and multiple variations were more common than in the other two groups. The variations in MCS were most common in males.
Measurements of Neutral Kaon Decays to Two Electron Positron Pairs
Energy Technology Data Exchange (ETDEWEB)
Halkiadakis, Eva [Rutgers U., Piscataway
2001-01-01
We observed 441 $K_L \\to e^+ e^- e^+ e^-$ events with a background of 4.2 events in the KTeV/E799II experiment at Fermilab. We present here a measurement of the $K_L \\to e^+ e^- e^+ e^-$ branching ratio (B), a study of CP symmetry and the first detailed study of the $e^+ e^-$ invariant mass spectrum in this decay mode....
The First Two Electron Linear Accelerators in South Mrica
African Journals Online (AJOL)
gap oscillator and transmission lines to accelerate particles in a straight line. In 1928, Wideroe in Germany success- fully applied the resonance principle to accelerate potas- sium ions to 50 kV with an applied voltage of 25 kV. Technical advances resulting from the development of radar during World War II made possible ...
Atomic-batched tensor decomposed two-electron repulsion integrals
Schmitz, Gunnar; Madsen, Niels Kristian; Christiansen, Ove
2017-04-01
We present a new integral format for 4-index electron repulsion integrals, in which several strategies like the Resolution-of-the-Identity (RI) approximation and other more general tensor-decomposition techniques are combined with an atomic batching scheme. The 3-index RI integral tensor is divided into sub-tensors defined by atom pairs on which we perform an accelerated decomposition to the canonical product (CP) format. In a first step, the RI integrals are decomposed to a high-rank CP-like format by repeated singular value decompositions followed by a rank reduction, which uses a Tucker decomposition as an intermediate step to lower the prefactor of the algorithm. After decomposing the RI sub-tensors (within the Coulomb metric), they can be reassembled to the full decomposed tensor (RC approach) or the atomic batched format can be maintained (ABC approach). In the first case, the integrals are very similar to the well-known tensor hypercontraction integral format, which gained some attraction in recent years since it allows for quartic scaling implementations of MP2 and some coupled cluster methods. On the MP2 level, the RC and ABC approaches are compared concerning efficiency and storage requirements. Furthermore, the overall accuracy of this approach is assessed. Initial test calculations show a good accuracy and that it is not limited to small systems.
A comparison and benchmark of two electron cloud packages
Energy Technology Data Exchange (ETDEWEB)
Lebrun, Paul L.G.; Amundson, James F; Spentzouris, Panagiotis G; Veitzer, Seth A
2012-01-01
We present results from precision simulations of the electron cloud (EC) problem in the Fermilab Main Injector using two distinct codes. These two codes are (i)POSINST, a F90 2D+ code, and (ii)VORPAL, a 2D/3D electrostatic and electromagnetic code used for self-consistent simulations of plasma and particle beam problems. A specific benchmark has been designed to demonstrate the strengths of both codes that are relevant to the EC problem in the Main Injector. As differences between results obtained from these two codes were bigger than the anticipated model uncertainties, a set of changes to the POSINST code were implemented. These changes are documented in this note. This new version of POSINST now gives EC densities that agree with those predicted by VORPAL, within {approx}20%, in the beam region. The root cause of remaining differences are most likely due to differences in the electrostatic Poisson solvers. From a software engineering perspective, these two codes are very different. We comment on the pros and cons of both approaches. The design(s) for a new EC package are briefly discussed.
Attosecond-correlated dynamics of two electrons in argon
Indian Academy of Sciences (India)
2014-01-11
Jan 11, 2014 ... 2Max-Planck-Institut für Kernphysik, 69117 Heidelberg, Germany ... involving a highly correlated electronic transition state. ... laser is low, the recolliding electron can have a maximum energy of about 15 eV which.
The First Two Electron Linear Accelerators in South Africa | Minnaar ...
African Journals Online (AJOL)
The electron linear accelerator is considered by many leading radiotherapy centres throughout the world as the most suitable equipment for the treatment of cancer. There are good reasons for this opinion, and some physical aspects are summarised here. S. Afr. Med. J., 48, 1004 (1974) ...
Variational inference & deep learning : A new synthesis
Kingma, D.P.
2017-01-01
In this thesis, Variational Inference and Deep Learning: A New Synthesis, we propose novel solutions to the problems of variational (Bayesian) inference, generative modeling, representation learning, semi-supervised learning, and stochastic optimization.
Variational inference & deep learning: A new synthesis
Kingma, D.P.
2017-01-01
In this thesis, Variational Inference and Deep Learning: A New Synthesis, we propose novel solutions to the problems of variational (Bayesian) inference, generative modeling, representation learning, semi-supervised learning, and stochastic optimization.
Amazing variational approach to chemical reactions
Fernández, Francisco M.
2009-01-01
In this letter we analyse an amazing variational approach to chemical reactions. Our results clearly show that the variational expressions are unsuitable for the analysis of empirical data obtained from chemical reactions.
Nonlinear variational inequalities of semilinear parabolic type
Directory of Open Access Journals (Sweden)
Park Jong-Yeoul
2001-01-01
Full Text Available The existence of solutions for the nonlinear functional differential equation governed by the variational inequality is studied. The regularity and a variation of solutions of the equation are also given.
On polar daily geomagnetic variation
Directory of Open Access Journals (Sweden)
Paola De Michelis
2015-11-01
Full Text Available The aim of this work is to investigate the nature of the daily magnetic field perturbations produced by ionospheric and magnetospheric currents at high latitudes. We analyse the hourly means of the X and Y geomagnetic field components recorded by a meridian chain of permanent geomagnetic observatories in the polar region of the Northern Hemisphere during a period of four years (1995-1998 around the solar minimum. We apply a mathematical method, known as natural orthogonal component (NOC, which is capable of characterizing the dominant modes of the geomagnetic field daily variability through a set of empirical orthogonal functions (EOFs. Using the first two modes we reconstruct a two-dimensional equivalent current representation of the ionospheric electric currents, which contribute substantially to the geomagnetic daily variations. The obtained current structures resemble the equivalent current patterns of DP2 and DP1. We characterize these currents by studying their evolution with the geomagnetic activity level and by analysing their dependence on the interplanetary magnetic field. The obtained results support the idea of a coexistence of two main processes during all analysed period although one of them, the directly driven process, represents the dominant component of the geomagnetic daily variation.
Homogenization of variational inequalities for obstacle problems
International Nuclear Information System (INIS)
Sandrakov, G V
2005-01-01
Results on the convergence of solutions of variational inequalities for obstacle problems are proved. The variational inequalities are defined by a non-linear monotone operator of the second order with periodic rapidly oscillating coefficients and a sequence of functions characterizing the obstacles. Two-scale and macroscale (homogenized) limiting variational inequalities are obtained. Derivation methods for such inequalities are presented. Connections between the limiting variational inequalities and two-scale and macroscale minimization problems are established in the case of potential operators.
Importance of Local Structural Variations on Recrystallization
DEFF Research Database (Denmark)
Juul Jensen, Dorte; Lin, Fengxiang; Zhang, Yubin
2013-01-01
Effects of local variations in the deformation microstructure on subsequent recrystallization are discussed and illustrated by three examples. The three examples consider local variations on different length scales and are: 1. Effects of local variations in the deformation microstructure on the f...
Optimally stopped variational quantum algorithms
Vinci, Walter; Shabani, Alireza
2018-04-01
Quantum processors promise a paradigm shift in high-performance computing which needs to be assessed by accurate benchmarking measures. In this article, we introduce a benchmark for the variational quantum algorithm (VQA), recently proposed as a heuristic algorithm for small-scale quantum processors. In VQA, a classical optimization algorithm guides the processor's quantum dynamics to yield the best solution for a given problem. A complete assessment of the scalability and competitiveness of VQA should take into account both the quality and the time of dynamics optimization. The method of optimal stopping, employed here, provides such an assessment by explicitly including time as a cost factor. Here, we showcase this measure for benchmarking VQA as a solver for some quadratic unconstrained binary optimization. Moreover, we show that a better choice for the cost function of the classical routine can significantly improve the performance of the VQA algorithm and even improve its scaling properties.
Variational identities and Hamiltonian structures
International Nuclear Information System (INIS)
Ma Wenxiu
2010-01-01
This report is concerned with Hamiltonian structures of classical and super soliton hierarchies. In the classical case, basic tools are variational identities associated with continuous and discrete matrix spectral problems, targeted to soliton equations derived from zero curvature equations over general Lie algebras, both semisimple and non-semisimple. In the super case, a supertrace identity is presented for constructing Hamiltonian structures of super soliton equations associated with Lie superalgebras. We illustrate the general theories by the KdV hierarchy, the Volterra lattice hierarchy, the super AKNS hierarchy, and two hierarchies of dark KdV equations and dark Volterra lattices. The resulting Hamiltonian structures show the commutativity of each hierarchy discussed and thus the existence of infinitely many commuting symmetries and conservation laws.
Circadian Variation Of Stroke Onset
Directory of Open Access Journals (Sweden)
Kamath vasantha
2003-01-01
Full Text Available Diurnal variations in various physiological and biochemical functions and certain pathological events like myocardial infarction and stroke have been documented. We studied prospectively one hundred and seven patients of acute onset stroke confirmed by computed tomography for the exact time of onset, risk factors and type of stroke. Patients who were unclear of time of onset and with a diagnosis of cerebral venous thrombosis or sub-arachnoid hemorrhage were excluded. Infarction was detected in 71 patients and hemorrhage in 33 patients. Men out numbered women (1:6:1. Hypertension was more frequent in hemorrhage in the morning time (5 AM-12 noon and more infarction between 12-6 pm. However there was no relation between the time of onset of stroke and various risk-factors of stroke.
Generalized Multiparameters Fractional Variational Calculus
Directory of Open Access Journals (Sweden)
Om Prakash Agrawal
2012-01-01
Full Text Available This paper builds upon our recent paper on generalized fractional variational calculus (FVC. Here, we briefly review some of the fractional derivatives (FDs that we considered in the past to develop FVC. We first introduce new one parameter generalized fractional derivatives (GFDs which depend on two functions, and show that many of the one-parameter FDs considered in the past are special cases of the proposed GFDs. We develop several parts of FVC in terms of one parameter GFDs. We point out how many other parts could be developed using the properties of the one-parameter GFDs. Subsequently, we introduce two new two- and three-parameter GFDs. We introduce some of their properties, and discuss how they can be used to develop FVC. In addition, we indicate how these formulations could be used in various fields, and how the generalizations presented here can be further extended.
Equilibrium models and variational inequalities
Konnov, Igor
2007-01-01
The concept of equilibrium plays a central role in various applied sciences, such as physics (especially, mechanics), economics, engineering, transportation, sociology, chemistry, biology and other fields. If one can formulate the equilibrium problem in the form of a mathematical model, solutions of the corresponding problem can be used for forecasting the future behavior of very complex systems and, also, for correcting the the current state of the system under control. This book presents a unifying look on different equilibrium concepts in economics, including several models from related sciences.- Presents a unifying look on different equilibrium concepts and also the present state of investigations in this field- Describes static and dynamic input-output models, Walras, Cassel-Wald, spatial price, auction market, oligopolistic equilibrium models, transportation and migration equilibrium models- Covers the basics of theory and solution methods both for the complementarity and variational inequality probl...
Variation of the latissimus dorsi
Directory of Open Access Journals (Sweden)
Ishani P Shah
2014-01-01
Full Text Available A typical muscle variation of latissimus dorsi - the axillary arch is represented by the muscular or fibromuscular slip detached from the anteroinferior border of the musculus latissimus dorsi passing over the axilla under the axillary fascia crossing the medial side of the brachial plexus to continue as a septum intermusculare mediale brachii distally to the medial epicondyle of humerus. The full extent of the muscle is rarely present. Slips of muscle extend from the latissimus dorsi at the inferior angle of scapula to insert into pectoralis major (Langer, coracobrachilis, biceps or coracoid process forming what is described as a common variant - the muscular axillary arch. We report three cases of variants of latissimus dorsi, one of which has not been reported in the literature before.
Variational transition-state theory
International Nuclear Information System (INIS)
Truhlar, D.G.; Garrett, B.C.
1980-01-01
A general introduction to and some results from studies of a procedure called variational transition-state theory are presented. A fundamental assumption of this theory is that the net rate of forward reaction at equilibrium equals the equilibrium flux in the product direction through the transition state where the transition state is a surface in phase space dividing reactants from products. Classical generalized-transition-state-theory calculations for nine collinear systems are compared to classical trajectory calculations. This new technique should provide useful insight into the successes and failures of the conventional theory and useful quantitative estimates of possible errors on the predictions of conventional transition-state theory. This should also contribute to a more accurate theory now available for the practical calculations of chemical reaction rates and thermochemical and structural interpretations of rate processes
Variational methods for field theories
Energy Technology Data Exchange (ETDEWEB)
Ben-Menahem, S.
1986-09-01
Four field theory models are studied: Periodic Quantum Electrodynamics (PQED) in (2 + 1) dimensions, free scalar field theory in (1 + 1) dimensions, the Quantum XY model in (1 + 1) dimensions, and the (1 + 1) dimensional Ising model in a transverse magnetic field. The last three parts deal exclusively with variational methods; the PQED part involves mainly the path-integral approach. The PQED calculation results in a better understanding of the connection between electric confinement through monopole screening, and confinement through tunneling between degenerate vacua. This includes a better quantitative agreement for the string tensions in the two approaches. Free field theory is used as a laboratory for a new variational blocking-truncation approximation, in which the high-frequency modes in a block are truncated to wave functions that depend on the slower background modes (Boron-Oppenheimer approximation). This ''adiabatic truncation'' method gives very accurate results for ground-state energy density and correlation functions. Various adiabatic schemes, with one variable kept per site and then two variables per site, are used. For the XY model, several trial wave functions for the ground state are explored, with an emphasis on the periodic Gaussian. A connection is established with the vortex Coulomb gas of the Euclidean path integral approach. The approximations used are taken from the realms of statistical mechanics (mean field approximation, transfer-matrix methods) and of quantum mechanics (iterative blocking schemes). In developing blocking schemes based on continuous variables, problems due to the periodicity of the model were solved. Our results exhibit an order-disorder phase transition. The transfer-matrix method is used to find a good (non-blocking) trial ground state for the Ising model in a transverse magnetic field in (1 + 1) dimensions.
MDCT evaluation of sternal variations: Pictorial essay
International Nuclear Information System (INIS)
Duraikannu, Chary; Noronha, Olma V; Sundarrajan, Pushparajan
2016-01-01
Sternal variations and anomalies have been identified in the past during autopsy or cadaveric studies. Recently, an increasing number of minor sternal variations have been reported with the advent of multidetector computed tomography (CT). Although there are many sternal variations that occur with varying appearance and prevalence, most of them are not recognized or are underreported during routine imaging of thorax. Identification of sternal variations is important to differentiate from pathological conditions and to prevent fatal complications prior to sternal interventions like marrow aspiration or acupuncture. This article aims to describe the minor and asymptomatic sternal variations by multidetector CT and their clinical significance
Accommodating variation: dialects, idiolects, and speech processing.
Kraljic, Tanya; Brennan, Susan E; Samuel, Arthur G
2008-04-01
Listeners are faced with enormous variation in pronunciation, yet they rarely have difficulty understanding speech. Although much research has been devoted to figuring out how listeners deal with variability, virtually none (outside of sociolinguistics) has focused on the source of the variation itself. The current experiments explore whether different kinds of variation lead to different cognitive and behavioral adjustments. Specifically, we compare adjustments to the same acoustic consequence when it is due to context-independent variation (resulting from articulatory properties unique to a speaker) versus context-conditioned variation (resulting from common articulatory properties of speakers who share a dialect). The contrasting results for these two cases show that the source of a particular acoustic-phonetic variation affects how that variation is handled by the perceptual system. We also show that changes in perceptual representations do not necessarily lead to changes in production.
Matter tensor from the Hilbert variational principle
International Nuclear Information System (INIS)
Pandres, D. Jr.
1976-01-01
We consider the Hilbert variational principle which is conventionally used to derive Einstein's equations for the source-free gravitational field. We show that at least one version of the equivalence principle suggests an alternative way of performing the variation, resulting in a different set of Einstein equations with sources automatically present. This illustrates a technique which may be applied to any theory that is derived from a variational principle and that admits a gauge group. The essential point is that, if one first imposes a gauge condition and then performs the variation, one obtains field equations with source terms which do not appear if one first performs the variation and then imposes the gauge condition. A second illustration is provided by the variational principle conventionally used to derive Maxwell's equations for the source-free electromagnetic field. If one first imposes the Lorentz gauge condition and then performs the variation, one obtains Maxwell's equations with sources present
Joubert-Doriol, Loïc; Izmaylov, Artur F.
2018-03-01
A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new approach is the elimination of any global or local model representation of electronic potential energy surfaces; instead, the electron-nuclear interaction is treated explicitly using the Gaussian integration. As a result, the new scheme does not introduce any uncontrolled approximations. The employed variational principle ensures the energy conservation and leaves the number of electronic and nuclear basis functions as the only parameter determining the accuracy. To assess performance of the approach, a model with two electronic and two nuclear spacial degrees of freedom containing conical intersections between potential energy surfaces has been considered. Dynamical features associated with nonadiabatic transitions and nontrivial geometric (or Berry) phases were successfully reproduced within a limited basis expansion.
Time variations in geomagnetic intensity
Valet, Jean-Pierre
2003-03-01
After many years spent by paleomagnetists studying the directional behavior of the Earth's magnetic field at all possible timescales, detailed measurements of field intensity are now needed to document the variations of the entire vector and to analyze the time evolution of the field components. A significant step has been achieved by combining intensity records derived from archeological materials and from lava flows in order to extract the global field changes over the past 12 kyr. A second significant step was due to the emergence of coherent records of relative paleointensity using the remanent magnetization of sediments to retrace the evolution of the dipole field. A third step was the juxtaposition of these signals with those derived from cosmogenic isotopes. Contemporaneous with the acquisition of records, new techniques have been developed to constrain the geomagnetic origin of the signals. Much activity has also been devoted to improving the quality of determinations of absolute paleointensity from volcanic rocks with new materials, proper selection of samples, and investigations of complex changes in magnetization during laboratory experiments. Altogether these developments brought us from a situation where the field changes were restricted to the past 40 kyr to the emergence of a coherent picture of the changes in the geomagnetic dipole moment for at least the past 1 Myr. On longer timescales the field variability and its average behavior is relatively well documented for the past 400 Myr. Section 3 gives a summary of most methods and techniques that are presently used to track the field intensity changes in the past. In each case, current limits and potential promises are discussed. The section 4 describes the field variations measured so far over various timescales covered by the archeomagnetic and the paleomagnetic records. Preference has always been given to composite records and databases in order to extract and discuss major and global geomagnetic
PLURILINGUAL COMPETENCE, STYLES AND VARIATION
Directory of Open Access Journals (Sweden)
Jyrki Kalliokoski
2011-01-01
Full Text Available The paper explores plurilingual competence in respect to language proficiency, language education and pluri- and multilingualism. The notion of communicative competence was introduced by Hymes (1972 as a reaction to chomskyan view of language as an autonomous system. Hymes’ notion of communicative competence originally included plurilingualism. The concept of communicative competence was quickly adopted to applied linguistics but the idea of a linguistic repertoire consisting of the competencies of linguistic varieties was not imported to SLA or language testing. The Hymesian perspective to plurilingualism as an essential dimension of communicative competence was revived in the Common European Framework (CEFR. However,the practice of applying the CEFR has mostly neglected the dimension on plurilingualism and plurilingual competence. The focus in the use of the CEFR has been on the different areas of language skills within one single language at a time, while the application of plurilingual practices has gained very little attention. The Hymesian notion of communicative competence has lived on in the sociolinguistic research tradition, especially within interactional sociolinguistics. The present paper relates the notion of plurilingual competence to its hymesian origin, to recent trends in plurilingual and pluricultural education, and to the sociolinguistic study of style and linguistic variation in multilingual communities. The article uses Finnish L2 data to show how plurilingual competence is used as an interactional resource.From the perspective of language learning, plurilingual competence enables speakers with different linguistic backgrounds to use their shared linguistic repertoire in order to ensure smooth interaction and achieve mutual understanding.
Isotopic variations in primitive meteorites
International Nuclear Information System (INIS)
Clayton, R.N.; Chicago Univ., IL; Chicago Univ., IL
1981-01-01
The presence of large internal 16 O variability in ordinary chondrites greatly extends the range of meteorite types in which this phenomenon has been observed. These results may lead to identification of major gas and dust reservoirs in the cloud from which the Solar System formed. The demonstration that live 107 Pd was present in the differentiated parent bodies of some iron meteorites supports the million year time scale between a major nucleosynthetic event and Solar System formation, as implied by the presence of live 26 Al in carbonaceous chondrites. However, the variability of radiogenic 26 Mg abundances in these meteorites makes it clear that the data cannot be interpreted simply in terms of time variations. Models of nucleosynthesis for elements from calcium to the iron peak should be aided by the new observations of abundances of titanium isotopes. Progress has been made in establishing the carrier phases of isotopically anomalous xenon and krypton. The apparent location of anomalous xenon and 14 N-rich nitrogen in identical carriers supports the notion that nucleosynthetic anomalies in nitrogen are also present in Allende. (author)
Procedural facade variations from a single layout
Bao, Fan
2013-02-19
We introduce a framework to generate many variations of a facade design that look similar to a given facade layout. Starting from an input image, the facade is hierarchically segmented and labeled with a collection of manual and automatic tools. The user can then model constraints that should be maintained in any variation of the input facade design. Subsequently, facade variations are generated for different facade sizes, where multiple variations can be produced for a certain size. Computing such new facade variations has many unique challenges, and we propose a new algorithm based on interleaving heuristic search and quadratic programming. In contrast to most previous work, we focus on the generation of new design variations and not on the automatic analysis of the input\\'s structure. Adding a modeling step with the user in the loop ensures that our results routinely are of high quality. © 2013 ACM.
Procedural facade variations from a single layout
Bao, Fan; Schwarz, Michael; Wonka, Peter
2013-01-01
We introduce a framework to generate many variations of a facade design that look similar to a given facade layout. Starting from an input image, the facade is hierarchically segmented and labeled with a collection of manual and automatic tools. The user can then model constraints that should be maintained in any variation of the input facade design. Subsequently, facade variations are generated for different facade sizes, where multiple variations can be produced for a certain size. Computing such new facade variations has many unique challenges, and we propose a new algorithm based on interleaving heuristic search and quadratic programming. In contrast to most previous work, we focus on the generation of new design variations and not on the automatic analysis of the input's structure. Adding a modeling step with the user in the loop ensures that our results routinely are of high quality. © 2013 ACM.
Influence of Design Variations on Systems Performance
Tumer, Irem Y.; Stone, Robert B.; Huff, Edward M.; Norvig, Peter (Technical Monitor)
2000-01-01
High-risk aerospace components have to meet very stringent quality, performance, and safety requirements. Any source of variation is a concern, as it may result in scrap or rework. poor performance, and potentially unsafe flying conditions. The sources of variation during product development, including design, manufacturing, and assembly, and during operation are shown. Sources of static and dynamic variation during development need to be detected accurately in order to prevent failure when the components are placed in operation. The Systems' Health and Safety (SHAS) research at the NASA Ames Research Center addresses the problem of detecting and evaluating the statistical variation in helicopter transmissions. In this work, we focus on the variations caused by design, manufacturing, and assembly of these components, prior to being placed in operation (DMV). In particular, we aim to understand and represent the failure and variation information, and their correlation to performance and safety and feed this information back into the development cycle at an early stage. The feedback of such critical information will assure the development of more reliable components with less rework and scrap. Variations during design and manufacturing are a common source of concern in the development and production of such components. Accounting for these variations, especially those that have the potential to affect performance, is accomplished in a variety ways, including Taguchi methods, FMEA, quality control, statistical process control, and variation risk management. In this work, we start with the assumption that any of these variations can be represented mathematically, and accounted for by using analytical tools incorporating these mathematical representations. In this paper, we concentrate on variations that are introduced during design. Variations introduced during manufacturing are investigated in parallel work.
HGVA: the Human Genome Variation Archive
Lopez, Javier; Coll, Jacobo; Haimel, Matthias; Kandasamy, Swaathi; Tarraga, Joaquin; Furio-Tari, Pedro; Bari, Wasim; Bleda, Marta; Rueda, Antonio; Gr?f, Stefan; Rendon, Augusto; Dopazo, Joaquin; Medina, Ignacio
2017-01-01
Abstract High-profile genomic variation projects like the 1000 Genomes project or the Exome Aggregation Consortium, are generating a wealth of human genomic variation knowledge which can be used as an essential reference for identifying disease-causing genotypes. However, accessing these data, contrasting the various studies and integrating those data in downstream analyses remains cumbersome. The Human Genome Variation Archive (HGVA) tackles these challenges and facilitates access to genomic...
Temporal correlation in the Goldberg variations
Chestopal, Victor
2010-01-01
An interpreter of the Goldberg Variations is almost completely deprived of such utterly important guidance as the composer's tempo markings, which are as rare in the Goldberg Variations as they are in the other works of Bach. The final goal of my study is to suggest a logical foundation, upon which an interpreter of the Goldberg Variations can make his/her choice of tempi. Upon the analysis of opus's structure, which reveals an impressive panorama of symmetries, I suggest a multilevel system ...
Regional variation in short distance homogamy
Haandrikman, Karen; van Wissen, Leo
2011-01-01
A third of all Dutch cohabiters choose a partner from the same municipality, so-called short distance homogamy. This article analyses the regional variation in this phenomenon, and it explains this variation in terms of geographical, socioeconomic, demographic and cultural determinants. Population register data on all new cohabiters in 2004 were used. Regression methods were employed to explain spatial patterns. Regional variation in short distance homogamy is largely explained by geographica...
International Nuclear Information System (INIS)
Petrovici, A.; Schmid, K.W.; Faessler, A.; Baktash, C.; Shashi, P.
1999-01-01
For a unified description of the structure of medium mass proton-rich nuclei at low as well as high angular momenta we used the complex version of the Excited Vampir approach. We employed chains of variational calculations based on symmetry-projected essentially complex Hartree-Fock-Bogoliubov (HFB) vacua which include neutron-proton pairing and unnatural-parity correlations. Since the Vampir approaches allow the use of rather large model spaces and of general two-body interactions, large-scale nuclear structure studies going far beyond the abilities of the conventional shell-model configuration-mixing approach are possible. Furthermore, since these approaches provide detailed spectroscopic information for the lowest few states for each spin and parity, they also have considerable advantages with respect to the shell-model Monte Carlo method in which only expectation values of operators in the thermodynamic ensembles or the ground state can be calculated. Our previous investigations on microscopic aspects of shape coexistence in N∼Z nuclei in the A∼70 mass region indicated the presence of a strong competition between particular configurations based on large and small oblate and prolate quadrupole deformations. Furthermore, since in N = Z nuclei neutrons and protons fill the same single particle orbits, the isovector neutron-proton and the like-nucleon pairing correlations were found to be strongly competitive in even-even systems. In addition, the neutron and proton alignments with increasing angular momentum occur simultaneously in these nuclei. On the other hand the theoretical results suggest that certain properties of these nuclei are extremely sensitive to small variations of particular parts of the effective Hamiltonian. Thus, our results indicate that the oblate-prolate coexistence and mixing at low spins depend on the strengths of the neutron-proton T = 0 matrix elements involving nucleons occupying f 5/2 (f 7/2 ) and g 9/2 single particle orbits
Extensive Variation in Chromatin States Across Humans
Kasowski, M.
2013-10-17
The majority of disease-associated variants lie outside protein-coding regions, suggesting a link between variation in regulatory regions and disease predisposition. We studied differences in chromatin states using five histone modifications, cohesin, and CTCF in lymphoblastoid lines from 19 individuals of diverse ancestry. We found extensive signal variation in regulatory regions, which often switch between active and repressed states across individuals. Enhancer activity is particularly diverse among individuals, whereas gene expression remains relatively stable. Chromatin variability shows genetic inheritance in trios, correlates with genetic variation and population divergence, and is associated with disruptions of transcription factor binding motifs. Overall, our results provide insights into chromatin variation among humans.
The circadian variation of premature atrial contractions
DEFF Research Database (Denmark)
Larsen, Bjørn Strøier; Kumarathurai, Preman; Nielsen, Olav W
2016-01-01
AIMS: The aim of the study was to assess a possible circadian variation of premature atrial contractions (PACs) in a community-based population and to determine if the daily variation could be used to assess a more vulnerable period of PACs in predicting later incidence of atrial fibrillation (AF...... variation in heart rate. After adjusting for relevant risk factors, the risk of AF was equal in all time intervals throughout the day. CONCLUSION: Premature atrial contractions showed a circadian variation in subjects with frequent PACs. No specific time interval of the day was more predictive of AF than...
Extensive Variation in Chromatin States Across Humans
Kasowski, M.; Kyriazopoulou-Panagiotopoulou, S.; Grubert, F.; Zaugg, J. B.; Kundaje, A.; Liu, Y.; Boyle, A. P.; Zhang, Q. C.; Zakharia, F.; Spacek, D. V.; Li, J.; Xie, D.; Olarerin-George, A.; Steinmetz, L. M.; Hogenesch, J. B.; Kellis, M.; Batzoglou, S.; Snyder, M.
2013-01-01
The majority of disease-associated variants lie outside protein-coding regions, suggesting a link between variation in regulatory regions and disease predisposition. We studied differences in chromatin states using five histone modifications, cohesin, and CTCF in lymphoblastoid lines from 19 individuals of diverse ancestry. We found extensive signal variation in regulatory regions, which often switch between active and repressed states across individuals. Enhancer activity is particularly diverse among individuals, whereas gene expression remains relatively stable. Chromatin variability shows genetic inheritance in trios, correlates with genetic variation and population divergence, and is associated with disruptions of transcription factor binding motifs. Overall, our results provide insights into chromatin variation among humans.
Factors influencing variation in dentist service rates.
Grembowski, D; Milgrom, P; Fiset, L
1990-01-01
In the previous article, we calculated dentist service rates for 200 general dentists based on a homogeneous, well-educated, upper-middle-class population of patients. Wide variations in the rates were detected. In this analysis, factors influencing variation in the rates were identified. Variation in rates for categories of dental services was explained by practice characteristics, patient exposure to fluoridated water supplies, and non-price competition in the dental market. Rates were greatest in large, busy practices in markets with high fees. Older practices consistently had lower rates across services. As a whole, these variables explained between 5 and 30 percent of the variation in the rates.
Stochastic variational approach to minimum uncertainty states
Energy Technology Data Exchange (ETDEWEB)
Illuminati, F.; Viola, L. [Dipartimento di Fisica, Padova Univ. (Italy)
1995-05-21
We introduce a new variational characterization of Gaussian diffusion processes as minimum uncertainty states. We then define a variational method constrained by kinematics of diffusions and Schroedinger dynamics to seek states of local minimum uncertainty for general non-harmonic potentials. (author)
Exploring Duopoly Markets with Conjectural Variations
Julien, Ludovic A.; Musy, Olivier; Saïdi, Aurélien W.
2014-01-01
In this article, the authors investigate competitive firm behaviors in a two-firm environment assuming linear cost and demand functions. By introducing conjectural variations, they capture the different market structures as specific configurations of a more general model. Conjectural variations are based on the assumption that each firm believes…
Macroinvertebrate variation in endorheic depression wetlands in ...
African Journals Online (AJOL)
Aquatic macroinvertebrates are rarely used in wetland assessments due to their variation. However, in terms of biodiversity, these invertebrates form an important component of wetland fauna. Spatial and temporal variation of macroinvertebrate assemblages in endorheic depressions (locally referred to as 'pans') in ...
Size variation in Middle Pleistocene humans.
Arsuaga, J L; Carretero, J M; Lorenzo, C; Gracia, A; Martínez, I; Bermúdez de Castro, J M; Carbonell, E
1997-08-22
It has been suggested that European Middle Pleistocene humans, Neandertals, and prehistoric modern humans had a greater sexual dimorphism than modern humans. Analysis of body size variation and cranial capacity variation in the large sample from the Sima de los Huesos site in Spain showed instead that the sexual dimorphism is comparable in Middle Pleistocene and modern populations.
Variation principle for nonlinear wave propagation
International Nuclear Information System (INIS)
Watanabe, T.; Lee, Y.C.; Nishikawa, Kyoji; Hojo, H.; Yoshida, Y.
1976-01-01
Variation principle is derived which determines stationary nonlinear propagation of electrostatic waves in the self-consistent density profile. Example is given for lower-hybrid waves and the relation to the variation principle for the Lagrangian density of electromagnetic fluids is discussed
Genetic variation in bovine milk fat composition
Stoop, W.M.
2009-01-01
In her thesis, Stoop shows that there is considerable genetic variation in milk fat composition, which opens opportunities to improve milk fat composition by selective breeding. Short and medium chain fatty acids had high heritabilities, whereas variation due to herd (mainly feed effects) was
Variation as a main feature of norm
Directory of Open Access Journals (Sweden)
S. Poladova
2017-09-01
Full Text Available The past half-century has witnessed remarkable growth in the study of language variation, and it has now become a highly productive subfield of research in sociolinguistics. Variability is everywhere in language, from the unique details in each production of a sound or sign to the auditory or visual processing of the linguistic signal. All languages that we can observe today show variation; what is more, they vary in identical ways, namely geographically and socially. It’s no secret that languages like English are full of variation. So, the aim of the article is to detect the reasons of variation and to uncover rates of usage of different free variations for a given set of lexical items. The research work is carried out by using the descriptive, comparative methods by subjecting to analysis the specific language materials. The discovery of law of variation became a starting point for the evolution of linguistics. The problem of search of variation facts and its role in the functioning of language system concerns many specialists from the outset. The scope of the investigation was to set up a system out of chaos of phenomena. Currently, the fact of conditionality of variation by system relations existing in the language is considered to be established.
Parkinson's disease and mitochondrial gene variations
DEFF Research Database (Denmark)
Andalib, Sasan; Vafaee, Manouchehr Seyedi; Gjedde, Albert
2014-01-01
Parkinson's disease (PD) is a common disorder of the central nervous system in the elderly. The pathogenesis of PD is a complex process, with genetics as an important contributing factor. This factor may stem from mitochondrial gene variations and mutations as well as from nuclear gene variations...
Isozyme variation in wild and cultivated pineapple
Isozyme variation was studied in 161 accessions of pineapple including four species of Ananas and one of Pseudananas. Six enzyme systems (ADH, GPI, PGM, SKDH, TPI, UGPP) involving seven putative loci revealed 35 electromorphs . Considerable variation exists within and between species of Ananas. Sixt...
Anatomy, Medical Education, and Human Ancestral Variation
Strkalj, Goran; Spocter, Muhammad A.; Wilkinson, A. Tracey
2011-01-01
It is argued in this article that the human body both in health and disease cannot be fully understood without adequately accounting for the different levels of human variation. The article focuses on variation due to ancestry, arguing that the inclusion of information pertaining to ancestry in human anatomy teaching materials and courses should…
Ranking of Unwarranted Variations in Healthcare Treatments
Moes, Herry; Brekelmans, Ruud; Hamers, Herbert; Hasaart, F.
2017-01-01
In this paper, we introduce a framework designed to identify and rank possible unwarranted variation of treatments in healthcare. The innovative aspect of this framework is a ranking procedure that aims to identify healthcare institutions where unwarranted variation is most severe, and diagnosis
Genetic variation between ecotypic populations of Chloris ...
African Journals Online (AJOL)
Genetic variation between ecotypic populations of Chloris roxburghiana grass detected through RAPD analysis. ... frequency indicated that the four populations of C. roxburghiana were genetically distinct, probably as a result of variation in soil fertility, geographical isolation and socio-ecological history of the study sites.
Genetic Variation in Cardiomyopathy and Cardiovascular Disorders.
McNally, Elizabeth M; Puckelwartz, Megan J
2015-01-01
With the wider deployment of massively-parallel, next-generation sequencing, it is now possible to survey human genome data for research and clinical purposes. The reduced cost of producing short-read sequencing has now shifted the burden to data analysis. Analysis of genome sequencing remains challenged by the complexity of the human genome, including redundancy and the repetitive nature of genome elements and the large amount of variation in individual genomes. Public databases of human genome sequences greatly facilitate interpretation of common and rare genetic variation, although linking database sequence information to detailed clinical information is limited by privacy and practical issues. Genetic variation is a rich source of knowledge for cardiovascular disease because many, if not all, cardiovascular disorders are highly heritable. The role of rare genetic variation in predicting risk and complications of cardiovascular diseases has been well established for hypertrophic and dilated cardiomyopathy, where the number of genes that are linked to these disorders is growing. Bolstered by family data, where genetic variants segregate with disease, rare variation can be linked to specific genetic variation that offers profound diagnostic information. Understanding genetic variation in cardiomyopathy is likely to help stratify forms of heart failure and guide therapy. Ultimately, genetic variation may be amenable to gene correction and gene editing strategies.
A min-max variational principle
International Nuclear Information System (INIS)
Georgiev, P.G.
1995-11-01
In this paper a variational principle for min-max problems is proved that is of the same spirit as Deville-Godefroy-Zizler's variational principle for minimization problems. A localization theorem in which the mini-max points for the perturbed function with respect top a given ε-min-max point are localized is presented. 3 refs
Regional variation in short distance homogamy
Haandrikman, K.; van Wissen, L.J.G.
2011-01-01
A third of all Dutch cohabiters choose a partner from the same municipality, so-called short distance homogamy. This article analyses the regional variation in this phenomenon, and it explains this variation in terms of geographical, socioeconomic, demographic and cultural determinants. Population
Variation Tolerant On-Chip Interconnects
Nigussie, Ethiopia Enideg
2012-01-01
This book presents design techniques, analysis and implementation of high performance and power efficient, variation tolerant on-chip interconnects. Given the design paradigm shift to multi-core, interconnect-centric designs and the increase in sources of variability and their impact in sub-100nm technologies, this book will be an invaluable reference for anyone concerned with the design of next generation, high-performance electronics systems. Provides comprehensive, circuit-level explanation of high-performance, energy-efficient, variation-tolerant on-chip interconnect; Describes design techniques to mitigate problems caused by variation; Includes techniques for design and implementation of self-timed on-chip interconnect, delay variation insensitive communication protocols, high speed signaling techniques and circuits, bit-width independent completion detection and process, voltage and temperature variation tolerance.
Variational theory of nuclear and neutron matter
International Nuclear Information System (INIS)
Pandharipande, V.R.; Wiringa, R.B.
1989-06-01
In these lectures we will discuss attempts to solve the A = 3 to ∞ nuclear many-body problems with the variational method. We choose the form of a variational wave function Χ v (1, 2 hor-ellipsis A) to describe the ground state. The Χ v and the ground-state energy E v are obtained by minimizing E v = left-angle Χ v |H|Χ v right-angle/left-angle Χ v |Χ v right-angle with respect to variations in Χ v . If the form of the variational wave function is chosen properly we can expect Χ v ∼ Χ 0 and E v ∼ E 0 where Χ 0 and E 0 are the exact ground-state wave function and energy. In general E v ≥ E 0 in variational calculations. 63 refs., 11 figs
Kozhikkottu, Vivek J.
The scaling of integrated circuits into the nanometer regime has led to variations emerging as a primary concern for designers of integrated circuits. Variations are an inevitable consequence of the semiconductor manufacturing process, and also arise due to the side-effects of operation of integrated circuits (voltage, temperature, and aging). Conventional design approaches, which are based on design corners or worst-case scenarios, leave designers with an undesirable choice between the considerable overheads associated with over-design and significantly reduced manufacturing yield. Techniques for variation-tolerant design at the logic, circuit and layout levels of the design process have been developed and are in commercial use. However, with the incessant increase in variations due to technology scaling and design trends such as near-threshold computing, these techniques are no longer sufficient to contain the effects of variations, and there is a need to address variations at all stages of design. This thesis addresses the problem of variation-tolerant design at the earliest stages of the design process, where the system-level design decisions that are made can have a very significant impact. There are two key aspects to making system-level design variation-aware. First, analysis techniques must be developed to project the impact of variations on system-level metrics such as application performance and energy. Second, variation-tolerant design techniques need to be developed to absorb the residual impact of variations (that cannot be contained through lower-level techniques). In this thesis, we address both these facets by developing robust and scalable variation-aware analysis and variation mitigation techniques at the system level. The first contribution of this thesis is a variation-aware system-level performance analysis framework. We address the key challenge of translating the per-component clock frequency distributions into a system-level application
Techniques to assess biological variation in destructive data
Tijskens, L.M.M.; Schouten, R.E.; Jongbloed, G.; Konopacki, P.J.
2018-01-01
Variation is present in all measured data, due to variation between individuals (biological variation) and variation induced by the measuring system (technical variation). Biological variation present in experimental data is not the result of a random process but strictly subject to deterministic
Genome Variation Map: a data repository of genome variations in BIG Data Center
Song, Shuhui; Tian, Dongmei; Li, Cuiping; Tang, Bixia; Dong, Lili; Xiao, Jingfa; Bao, Yiming; Zhao, Wenming; He, Hang; Zhang, Zhang
2017-01-01
Abstract The Genome Variation Map (GVM; http://bigd.big.ac.cn/gvm/) is a public data repository of genome variations. As a core resource in the BIG Data Center, Beijing Institute of Genomics, Chinese Academy of Sciences, GVM dedicates to collect, integrate and visualize genome variations for a wide range of species, accepts submissions of different types of genome variations from all over the world and provides free open access to all publicly available data in support of worldwide research a...
Circadian variation in sports performance.
Atkinson, G; Reilly, T
1996-04-01
Chronobiology is the science concerned with investigations of time-dependent changes in physiological variables. Circadian rhythms refer to variations that recur every 24 hours. Many physiological circadian rhythms at rest are endogenously controlled, and persist when an individual is isolated from environmental fluctuations. Unlike physiological variables, human performance cannot be monitored continuously in order to describe circadian rhythmicity. Experimental studies of the effect of circadian rhythms on performance need to be carefully designed in order to control for serial fatigue effects and to minimise disturbances in sleep. The detection of rhythmicity in performance variables is also highly influenced by the degree of test-retest repeatability of the measuring equipment. The majority of components of sports performance, e.g. flexibility, muscle strength, short term high power output, vary with time of day in a sinusoidal manner and peak in the early evening close to the daily maximum in body temperature. Psychological tests of short term memory, heart rate-based tests of physical fitness, and prolonged submaximal exercise performance carried out in hot conditions show peak times in the morning. Heart rate-based tests of work capacity appear to peak in the morning because the heart rate responses to exercise are minimal at this time of day. Post-lunch declines are evident with performance variables such as muscle strength, especially if measured frequently enough and sequentially within a 24-hour period to cause fatigue in individuals. More research work is needed to ascertain whether performance in tasks demanding fine motor control varies with time of day. Metabolic and respiratory rhythms are flattened when exercise becomes strenuous whilst the body temperature rhythm persists during maximal exercise. Higher work-rates are selected spontaneously in the early evening. At present, it is not known whether time of day influences the responses of a set
Some remarks on variational and quasi-variational inequalities of monotone operators
International Nuclear Information System (INIS)
Siddiqi, A.H.
1990-08-01
In this paper we study a fairly general class of variational and quasi-variational inequalities problem which represent some important physical phenomena. Several well-known results concerning variational inequalities are special cases of our results. Existence, uniqueness and numerical analysis of this problem have been studied. (author). 39 refs
Fast Variations In Spectrum of Comet Halley
Borysenko, S. A.
The goal of this work is to research fast variations of spectral lines intensities in spectra of comet Halley. The present research was made on the basis of more then 500 high- resolution spectrogram obtained by L.M. Shulman and H.K. Nazarchuk in November- December, 1985 at the 6-m telescope (SAO, Russia). Some fast variations with different quasiperiods were detected in all the spectrograms. Quasiperiods of these variations were from 15 - 40 min to 1.5 - 2 hours. As data from spacecraft "Vega-2" show, more fast variations with quasiperiods 5 - 10 min are obviously present in cometary time variations. Only the most important lines so as C2, C3, CN, CH and NH2 were analyzed. False periods were checked by comparison of the power spectra of the variations with the computed spectral window of the data. Only false periods about 400 sec (the avarage period of exposition) were detected. An algorithm for analysis of locally Poisson's time series was proposed. Two types of fast variations are detected: 1)high amplitude variations with more long quasiperiods (1.5 - 2 hours) and the coefficient of crosscorrelations between line intensities about 0.9 - 0.95; 2)low amplitude variations with short periods (15 - 40 min), which look like white noise and have the coefficient of crosscorrelations about 0.1 - 0.3. This difference may be caused by nature of variations. The first type variations may be an effect of both active processes in cometary nucleus and streams of solar protons. Analysis of solar proton flux variation with energies >1 MeV in November - Decem- ber 1985 confirms the above-mentioned version. In the second case it may by only inner processes in the nucleus that generate the observed variations. For determination of general parameters of cometary atmosphere, such as the produc- tion rates of radicals C2, C3, CN, CH, and NH2 it was necessary to estimate the contri- bution of dust grains luminiscence into the continuum of the comet. Space and wave- length distribution
Solar ultraviolet irradiance variations: a review
International Nuclear Information System (INIS)
Lean, J.
1987-01-01
Despite the geophysical importance of solar ultraviolet radiation, specific aspects of its temporal variations have not yet been adequately determined experimentally, nor are the mechanisms for the variability completely understood. Satellite observations have verified the reality of solar ultraviolet irradiance variations over time scales of days and months, and model calculations have confirmed the association of these short-term variations with the evolution and rotation of regions of enhanced magnetic activity on the solar disc. However, neither rocket nor satellite measurements have yet been made with sufficient accuracy and regularity to establish unequivocally the nature of the variability over the longer time of the 11-year solar cycle. The comparative importance for the long-term variations of local regions of enhanced magnetic activity and global scale activity perturbations is still being investigated. Solar ultraviolet irradiance variations over both short and long time scales are reviewed, with emphasis on their connection to solar magnetic activity. Correlations with ground-based measures of solar variability are examined because of the importance of the ground-based observations as historical proxies of ultraviolet irradiance variations. Current problems in understanding solar ultraviolet irradiance variations are discussed, and the measurements planned for solar cycle 22, which may resolve these problems, are briefly described. copyright American Geophysical Union 1987
Unambiguous results from variational matrix Pade approximants
International Nuclear Information System (INIS)
Pindor, Maciej.
1979-10-01
Variational Matrix Pade Approximants are studied as a nonlinear variational problem. It is shown that although a stationary value of the Schwinger functional is a stationary value of VMPA, the latter has also another stationary value. It is therefore proposed that instead of looking for a stationary point of VMPA, one minimizes some non-negative functional and then one calculates VMPA at the point where the former has the absolute minimum. This approach, which we call the Method of the Variational Gradient (MVG) gives unambiguous results and is also shown to minimize a distance between the approximate and the exact stationary values of the Schwinger functional
Solar cycle variations in IMF intensity
International Nuclear Information System (INIS)
King, J.H.
1979-01-01
Annual averages of logarithms of hourly interplanetary magnetic field (IMF) intensities, obtained from geocentric spacecraft between November 1963 and December 1977, reveal the following solar cycle variation. For 2--3 years at each solar minimum period, the IMF intensity is depressed by 10--15% relative to its mean value realized during a broad 9-year period contered at solar maximum. No systematic variations occur during this 9-year period. The solar minimum decrease, although small in relation to variations in some other solar wind parameters, is both statistically and physically significant
Variational calculus with constraints on general algebroids
Energy Technology Data Exchange (ETDEWEB)
Grabowska, Katarzyna [Physics Department, Division of Mathematical Methods in Physics, University of Warsaw, Hoza 69, 00-681 Warszawa (Poland); Grabowski, Janusz [Institute of Mathematics, Polish Academy of Sciences, Sniadeckich 8, PO Box 21, 00-956 Warszawa (Poland)], E-mail: konieczn@fuw.edu.pl, E-mail: jagrab@impan.gov.pl
2008-05-02
Variational calculus on a vector bundle E equipped with a structure of a general algebroid is developed, together with the corresponding analogs of Euler-Lagrange equations. Constrained systems are introduced in the variational and geometrical settings. The constrained Euler-Lagrange equations are derived for analogs of holonomic, vakonomic and nonholonomic constraints. This general model covers the majority of first-order Lagrangian systems which are present in the literature and reduces to the standard variational calculus and the Euler-Lagrange equations in classical mechanics for E = TM.
Variational form for a viscous plasma
International Nuclear Information System (INIS)
Ishida, A.; Steinhauer, L.C.; Berk, H.L.
1991-01-01
The variational formulation for a fluid plasma including the parallel and gyroviscosities is developed using the basic approach of Berk et al. [Phys. Fluids 24, 2245 (1981)]. The equivalence of the variational problem to the original viscous fluid equations of motion is shown. The theory is developed for an axisymmetric plasma with no magnetic field in the azimuthal direction and therefore applies to field-reversed configurations and axisymmetric mirrors. This theory offers the advantage of describing both parallel and transverse ion kinetic effects within the simplicity afforded by a variational fluid model
Variational calculus with constraints on general algebroids
International Nuclear Information System (INIS)
Grabowska, Katarzyna; Grabowski, Janusz
2008-01-01
Variational calculus on a vector bundle E equipped with a structure of a general algebroid is developed, together with the corresponding analogs of Euler-Lagrange equations. Constrained systems are introduced in the variational and geometrical settings. The constrained Euler-Lagrange equations are derived for analogs of holonomic, vakonomic and nonholonomic constraints. This general model covers the majority of first-order Lagrangian systems which are present in the literature and reduces to the standard variational calculus and the Euler-Lagrange equations in classical mechanics for E = TM
Conical differentiability for evolution variational inequalities
Jarušek, Jiří; Krbec, Miroslav; Rao, Murali; Sokołowski, Jan
The conical differentiability of solutions to the parabolic variational inequality with respect to the right-hand side is proved in the paper. From one side the result is based on the Lipschitz continuity in H {1}/{2},1 (Q) of solutions to the variational inequality with respect to the right-hand side. On the other side, in view of the polyhedricity of the convex cone K={v∈ H;v |Σ c⩾0,v |Σ d=0}, we prove new results on sensitivity analysis of parabolic variational inequalities. Therefore, we have a positive answer to the question raised by Fulbert Mignot (J. Funct. Anal. 22 (1976) 25-32).
Variational inequalities and flow in porous media
International Nuclear Information System (INIS)
Chipot, M.
1984-01-01
This book is concerned with regularity theory for obstacle problems, and with the dam problem, which, in the rectangular case, is one of the most interesting applications of variational inequalities with an obstacle
Variational principles of continuum mechanics I fundamentals
Berdichevskii, V L
2009-01-01
This is a concise and understandable book about variational principles of continuum mechanics. The book is accessible to applied mathematicians, physicists and engineers who have an interest in continuum mechanics.
A variational approach to niche construction.
Constant, Axel; Ramstead, Maxwell J D; Veissière, Samuel P L; Campbell, John O; Friston, Karl J
2018-04-01
In evolutionary biology, niche construction is sometimes described as a genuine evolutionary process whereby organisms, through their activities and regulatory mechanisms, modify their environment such as to steer their own evolutionary trajectory, and that of other species. There is ongoing debate, however, on the extent to which niche construction ought to be considered a bona fide evolutionary force, on a par with natural selection. Recent formulations of the variational free-energy principle as applied to the life sciences describe the properties of living systems, and their selection in evolution, in terms of variational inference. We argue that niche construction can be described using a variational approach. We propose new arguments to support the niche construction perspective, and to extend the variational approach to niche construction to current perspectives in various scientific fields. © 2018 The Authors.
Applications of Pharmacogenetics in Revealing Variations in ...
African Journals Online (AJOL)
acer
taking place in molecular biology techniques. Drug action is now more ... the latest findings of genetic variations in pharmacological targets related to disorders of major .... Similarly, Gly 9 allele. (Ser9Gly) of the dopamine D3 receptor gene.
Variational principles of continuum mechanics II applications
Berdichevsky, Victor L
2009-01-01
This concise and understandable book about variational principles of continuum mechanics presents the classical models. The book is accessible to applied mathematicians, physicists and engineers who have an interest in continuum mechanics.
Epigenetic variation, phenotypic heritability, and evolution
DEFF Research Database (Denmark)
Furrow, Robert E.; Christiansen, Freddy Bugge; Feldman, Marcus W.
2014-01-01
families. The potential importance of this interaction, recognized in classical studies of the genetic epidemiology of complex diseases and other quantitative characters, has reemerged in studies of the effects of epigenetic modifications, their variation, and their transmission between generations....
Microenvironmental variation in preassay rearing conditions can ...
Indian Academy of Sciences (India)
alternatively in the presence of some random environmen- tal noise affecting the ... variation leading to a systematic increase or decrease in the fecundity of all pairs of flies that ... can potentially arise due to nonrandom sampling across the.
Schroedinger's variational method of quantization revisited
International Nuclear Information System (INIS)
Yasue, K.
1980-01-01
Schroedinger's original quantization procedure is revisited in the light of Nelson's stochastic framework of quantum mechanics. It is clarified why Schroedinger's proposal of a variational problem led us to a true description of quantum mechanics. (orig.)
Medicare Geographic Variation - Public Use File
U.S. Department of Health & Human Services — The Medicare Geographic Variation Public Use File provides the ability to view demographic, utilization and quality indicators at the state level (including...
Concentration variation of radon in the room
International Nuclear Information System (INIS)
Komaruzaman Mohd Noor; Haziman Hassan; Rosli Mahat; Yusof Md Amin
1995-01-01
The study was carried out to determine the variation of radon concentration in the room. Radon detector used was solid nuclear tracks detector (SSNTD) LR-115. From this result, suitable points to make radon measurement was determined
seasonal variation in chromium hexavalent and copper
African Journals Online (AJOL)
Admin
Seasonal variation in heavy metal contamination of groundwater in the Jimeta- Yola area ... animal feedlots, industrial waste and food processing ...... and conservation of groundwater quality; a) ... significant role of hydrous Mn and Fe oxides.
Contingent negative variation of mood disorder patients
Institute of Scientific and Technical Information of China (English)
Yingzhi Lu; Wenbin Zong; Qingtao Ren; Jinyu Pu; Jun Chen; Juan Li; Xingshi Chen; Yong Wang
2011-01-01
Studies on brain-evoked potential and contingent negative variation (CNV) in mood disorder remain controversial. To date, no CNV difference between unipolar and bipolar depression has been reported. Brain-evoked potentials were measured in the present study to analyze CNV in three subtypes of mood disorder (mania, unipolar depression, and bipolar depression), and these results were compared with normal controls. In the mania group, CNV amplitude B was greater than in controls, and the depression group exhibited lower CNV amplitude B and smaller A-S'2 area, and prolonged post-imperative negative variation latency. The CNV comparison between unipolar and bipolar depression found that the prolonged post-imperative negative variation latency was only in unipolar depression. These results suggest that prolonged post-imperative negative variation latency is a characteristic of unipolar depression, and CNV amplitude change is a state characteristic of mood disorder patients.
Diurnal variation of zooplankton off Versova (Bombay)
Digital Repository Service at National Institute of Oceanography (India)
Gajbhiye, S.N.; Nair, V.R.; Desai, B.N.
Physicochemical parameters and diurnal variaion of zooplankton were studied off Versova on 17/18 February 1981. Salinity and dissolved oxygen showed limited variation during the period of study. Nutrient values followed the tidal rhythm and high...
Variational Dropout and the Local Reparameterization Trick
Kingma, D.P.; Salimans, T.; Welling, M.; Cortes, C.; Lawrence, N.D.; Lee, D.D.; Sugiyama, M.; Garnett, R.
2015-01-01
We investigate a local reparameterizaton technique for greatly reducing the variance of stochastic gradients for variational Bayesian inference (SGVB) of a posterior over model parameters, while retaining parallelizability. This local reparameterization translates uncertainty about global parameters
Monolingual Lexicography and Linguistic Variation in Shona
African Journals Online (AJOL)
R.B. Ruthven
when working on monolingual Shona dictionaries. ... ciplines often refer to the term variation. ... phers of monolingual dictionaries encounter in their work. 2. ..... used or the literal sense first and the rarely used or the metaphorical sense(s).
680 SPATIAL VARIATION IN GROUNDWATER POLLUTION BY ...
African Journals Online (AJOL)
Osondu
higher in Group A water samples, and reduced slightly in the Group B and then the Group C samples, ... Keywords: Spatial variation, Groundwater, Pollution, Abattoir, Effluents, Water quality. ... situation which may likely pose a threat to the.
On convexity and Schoenberg's variation diminishing splines
International Nuclear Information System (INIS)
Feng, Yuyu; Kozak, J.
1992-11-01
In the paper we characterize a convex function by the monotonicity of a particular variation diminishing spline sequence. The result extends the property known for the Bernstein polynomial sequence. (author). 4 refs
Fixed point theory, variational analysis, and optimization
Al-Mezel, Saleh Abdullah R; Ansari, Qamrul Hasan
2015-01-01
""There is a real need for this book. It is useful for people who work in areas of nonlinear analysis, optimization theory, variational inequalities, and mathematical economics.""-Nan-Jing Huang, Sichuan University, Chengdu, People's Republic of China
Modeling Per Capita State Health Expenditure Variat...
U.S. Department of Health & Human Services — Modeling Per Capita State Health Expenditure Variation State-Level Characteristics Matter, published in Volume 3, Issue 4, of the Medicare and Medicaid Research...
Smart variations: Functional substructures for part compatibility
Zheng, Youyi; Cohen-Or, Daniel; Mitra, Niloy J.
2013-01-01
As collections of 3D models continue to grow, reusing model parts allows generation of novel model variations. Naïvely swapping parts across models, however, leads to implausible results, especially when mixing parts across different model families
Explaining mutualism variation: a new evolutionary paradox?
Heath, Katy D; Stinchcombe, John R
2014-02-01
The paradox of mutualism is typically framed as the persistence of interspecific cooperation, despite the potential advantages of cheating. Thus, mutualism research has tended to focus on stabilizing mechanisms that prevent the invasion of low-quality partners. These mechanisms alone cannot explain the persistence of variation for partner quality observed in nature, leaving a large gap in our understanding of how mutualisms evolve. Studying partner quality variation is necessary for applying genetically explicit models to predict evolution in natural populations, a necessary step for understanding the origins of mutualisms as well as their ongoing dynamics. An evolutionary genetic approach, which is focused on naturally occurring mutualist variation, can potentially synthesize the currently disconnected fields of mutualism evolution and coevolutionary genetics. We outline explanations for the maintenance of genetic variation for mutualism and suggest approaches necessary to address them. © 2013 The Author(s). Evolution © 2013 The Society for the Study of Evolution.
Variational continuum multiphase poroelasticity theory and applications
Serpieri, Roberto
2017-01-01
This book collects the theoretical derivation of a recently presented general variational macroscopic continuum theory of multiphase poroelasticity (VMTPM), together with its applications to consolidation and stress partitioning problems of interest in several applicative engineering contexts, such as in geomechanics and biomechanics. The theory is derived based on a purely-variational deduction, rooted in the least-Action principle, by considering a minimal set of kinematic descriptors. The treatment herein considered keeps a specific focus on the derivation of most general medium-independent governing equations. It is shown that VMTPM recovers paradigms of consolidated use in multiphase poroelasticity such as Terzaghi's stress partitioning principle and Biot's equations for wave propagation. In particular, the variational treatment permits the derivation of a general medium-independent stress partitioning law, and the proposed variational theory predicts that the external stress, the fluid pressure, and the...
Geographic Variation in Medicare Spending Dashboard
U.S. Department of Health & Human Services — The Geographic Variation Dashboards present Medicare fee-for-service per-capita spending at the state and county level in an interactive format. We calculated the...
Body composition variation following diaphragmatic breathing ...
African Journals Online (AJOL)
Body composition variation following diaphragmatic breathing. ... effect of commonly prescribed diaphragmatic breathing training on the body composition ... a non-exercising control (NE) group (n = 22) or diaphragmatic breathing (DB) group.
From genomic variation to personalized medicine
DEFF Research Database (Denmark)
Wesolowska, Agata; Schmiegelow, Kjeld
Genomic variation is the basis of interindividual differences in observable traits and disease susceptibility. Genetic studies are the driving force of personalized medicine, as many of the differences in treatment efficacy can be attributed to our genomic background. The rapid development...... a considerable amount of the phenotype variability, hence the major difficulty of interpretation lies in the complexity of molecular interactions. This PhD thesis describes the state-of-art of the functional human variation research (Chapter 1) and introduces childhood acute lymphoblastic leukaemia (ALL...... the thesis and includes some final remarks on the perspectives of genomic variation research and personalized medicine. In summary, this thesis demonstrates the feasibility of integrative analyses of genomic variations and introduces large-scale hypothesis-driven SNP exploration studies as an emerging...
[Variation im heutigen Deutsch...] / Laura Tidrike
Tidrike, Laura
2008-01-01
Arvustus: Variation im heutigen Deutsch : Perspektiven für den Sprachunterricht / hrsg. v. Eva Neuland. Frankfurt am Main : Lang, 2006. (Sprache - Kommunikation - Kultur. Soziolinguistische Beiträge ; Vol. 4)
Solutions to variational inequalities of parabolic type
Zhu, Yuanguo
2006-09-01
The existence of strong solutions to a kind of variational inequality of parabolic type is investigated by the theory of semigroups of linear operators. As an application, an abstract semi permeable media problem is studied.
Blood lipid measurements. Variations and practical utility.
Cooper, G R; Myers, G L; Smith, S J; Schlant, R C
1992-03-25
To describe the magnitude and impact of the major biological and analytical sources of variation in serum lipid and lipoprotein levels on risk of coronary heart disease; to present a way to qualitatively estimate the total intraindividual variation; and to demonstrate how to determine the number of specimens required to estimate, with 95% confidence, the "true" underlying total cholesterol value in the serum of a patient. Representative references on each source of variation were selected from more than 300 reviewed publications, most published within the past 5 years, to document current findings and concepts. Most articles reviewed were in English. Studies on biological sources of variation were selected using the following criteria: representative of published findings, clear statement of either significant or insignificant results, and acquisition of clinical and laboratory data under standardized conditions. Representative results for special populations such as women and children are reported when results differ from those of adult men. References were selected based on acceptable experimental design and use of standardized laboratory lipid measurements. The lipid levels considered representative for a selected source of variation arose from quantitative measurements by a suitably standardized laboratory. Statistical analysis of data was examined to assure reliability. The proposed method of estimating the biological coefficient of variation must be considered to give qualitative results, because only two or three serial specimens are collected in most cases for the estimation. Concern has arisen about the magnitude, impact, and interpretation of preanalytical as well as analytical sources of variation on reported results of lipid measurements of an individual. Preanalytical sources of variation from behavioral, clinical, and sampling sources constitute about 60% of the total variation in a reported lipid measurement of an individual. A technique is presented
On a class of general variational inequalities
International Nuclear Information System (INIS)
Siddiqi, A.H.
1990-06-01
The study of variational inequalities was initiated by the Italian Mathematician, Guido Stampacchia in the early 60's. Besides several other important problems of Physics and Engineering this theory has been applied to solve the problem of Elasticity with unilateral constraints. In this paper we introduce a new class of variational inequalities and study the existence and uniqueness of its solution. Error estimates, convergence of approximate solution and the penalty method are also discussed. (author). 25 refs
Managing Cultural Variation in Software Process Improvement
DEFF Research Database (Denmark)
Müller, Sune Dueholm; Kræmmergaard, Pernille; Mathiassen, Lars
The scale and complexity of change in software process improvement (SPI) are considerable and managerial attention to organizational culture during SPI can therefore potentially contribute to successful outcomes. However, we know little about the impact of variations in organizational subculture...... CMMI level 2 as planned, ASY struggled to implement even modest improvements. To explain these differences, we analyzed the underlying organizational culture within ISY and ASY using two different methods for subculture assessment. The study demonstrates how variations in culture across software...
Variational method for integrating radial gradient field
Legarda-Saenz, Ricardo; Brito-Loeza, Carlos; Rivera, Mariano; Espinosa-Romero, Arturo
2014-12-01
We propose a variational method for integrating information obtained from circular fringe pattern. The proposed method is a suitable choice for objects with radial symmetry. First, we analyze the information contained in the fringe pattern captured by the experimental setup and then move to formulate the problem of recovering the wavefront using techniques from calculus of variations. The performance of the method is demonstrated by numerical experiments with both synthetic and real data.
Variations in government contract in Malaysia
Directory of Open Access Journals (Sweden)
Jaspal Singh Nachatar
2010-12-01
Full Text Available The complexity of construction works means that it is hardly possible to complete a project without changes to the plans or the construction process itself. There can only be a minority of contracts of any size in which the subject matter when completed is identical in every respect with what was contemplated at the outset. As such, variations are inevitable in even the best-planned contracts. This study is attempted to examine the ways a variation was formed in law and project, in finding out whether the Standard Form of Contract used in Malaysia particularly the government Public Works Department (PWD form has been utilized to the best level in variation cases. Additionally, this study examined the benefits of variations to parties in contract and also provides suggestions and assumptions in an effort to contribute solutions to issues and problem detected. The research methodology used in this study was an extensive review of relevant literature, case study, empirical questionnaires and structured interviews and general observations based on experience and surroundings. The academic study approach incorporated stages such as initial understanding, data and information gathering, analysis of data, findings and conclusion and general suggestions in the study. The major findings of this study, among others, revealed that the existences of variations are common in projects. The main cause of variations was due to client request because of inadequate project objectives for the designer to develop comprehensive design. Besides, the analysis pointed out that the government form of contract the Public Works Department (PWD 203/203A can help in overcoming projects with variation because of the clear defined procedure. This study also found that proper planning and coordination at tender stage can minimize the risk of ‘unwanted’ variations. In conclusion, this study recommended that future research should be done in design and build based contract
Origins of variation in conducted vasomotor responses
DEFF Research Database (Denmark)
Hald, Bjørn Olav; Welsh, Donald G.; Holstein-Rathlou, Niels-Henrik
2015-01-01
, the efficacy of conducted responses varies significantly between different initiating stimuli within the same vascular bed as well as between different vascular beds following the same stimulus. The differences have stimulated proposals of different mechanisms to account for the experimentally observed...... variation. Using a computational approach that allows for introduction of structural and electrophysiological heterogeneity, we systematically tested variations in both arteriolar electrophysiology and modes of stimuli. Within the same vessel, our simulations show that conduction efficacy is influenced...
Introduction to the calculus of variations
Sagan, Hans
1992-01-01
Excellent text provides basis for thorough understanding of the problems, methods and techniques of the calculus of variations and prepares readers for the study of modern optimal control theory. Treatment limited to extensive coverage of single integral problems in one and more unknown functions. Carefully chosen variational problems and over 400 exercises. ""Should find wide acceptance as a text and reference.""-American Mathematical Monthly. 1969 edition. Bibliography.
Sex reduces genetic variation: a multidisciplinary review.
Gorelick, Root; Heng, Henry H Q
2011-04-01
For over a century, the paradigm has been that sex invariably increases genetic variation, despite many renowned biologists asserting that sex decreases most genetic variation. Sex is usually perceived as the source of additive genetic variance that drives eukaryotic evolution vis-à-vis adaptation and Fisher's fundamental theorem. However, evidence for sex decreasing genetic variation appears in ecology, paleontology, population genetics, and cancer biology. The common thread among many of these disciplines is that sex acts like a coarse filter, weeding out major changes, such as chromosomal rearrangements (that are almost always deleterious), but letting minor variation, such as changes at the nucleotide or gene level (that are often neutral), flow through the sexual sieve. Sex acts as a constraint on genomic and epigenetic variation, thereby limiting adaptive evolution. The diverse reasons for sex reducing genetic variation (especially at the genome level) and slowing down evolution may provide a sufficient benefit to offset the famed costs of sex. © 2010 The Author(s). Evolution© 2010 The Society for the Study of Evolution.
The four variational principles of mechanics
International Nuclear Information System (INIS)
Gray, C.G.; Karl, G.; Novikov, V.A.
1996-01-01
We argue that there are four basic forms of the variational principles of mechanics: Hamilton close-quote s least action principle (HP), the generalized Maupertuis principle (MP), and their two reciprocal principles, RHP and RMP. This set is invariant under reciprocity and Legendre transformations. One of these forms (HP) is in the literature: only special cases of the other three are known. The generalized MP has a weaker constraint compared to the traditional formulation, only the mean energy bar E is kept fixed between virtual paths. This reformulation of MP alleviates several weaknesses of the old version. The reciprocal Maupertuis principle (RMP) is the classical limit of Schroedinger close-quote s variational principle of quantum mechanics, and this connection emphasizes the importance of the reciprocity transformation for variational principles. Two unconstrained formulations (UHP and UMP) of these four principles are also proposed, with completely specified Lagrange multipliers Percival close-quote s variational principle for invariant tori and variational principles for scattering orbits are derived from the RMP. The RMP is very convenient for approximate variational solutions to problems in mechanics using Ritz type methods Examples are provided. Copyright copyright 1996 Academic Press, Inc
Exploring subdomain variation in biomedical language
Directory of Open Access Journals (Sweden)
Séaghdha Diarmuid Ó
2011-05-01
Full Text Available Abstract Background Applications of Natural Language Processing (NLP technology to biomedical texts have generated significant interest in recent years. In this paper we identify and investigate the phenomenon of linguistic subdomain variation within the biomedical domain, i.e., the extent to which different subject areas of biomedicine are characterised by different linguistic behaviour. While variation at a coarser domain level such as between newswire and biomedical text is well-studied and known to affect the portability of NLP systems, we are the first to conduct an extensive investigation into more fine-grained levels of variation. Results Using the large OpenPMC text corpus, which spans the many subdomains of biomedicine, we investigate variation across a number of lexical, syntactic, semantic and discourse-related dimensions. These dimensions are chosen for their relevance to the performance of NLP systems. We use clustering techniques to analyse commonalities and distinctions among the subdomains. Conclusions We find that while patterns of inter-subdomain variation differ somewhat from one feature set to another, robust clusters can be identified that correspond to intuitive distinctions such as that between clinical and laboratory subjects. In particular, subdomains relating to genetics and molecular biology, which are the most common sources of material for training and evaluating biomedical NLP tools, are not representative of all biomedical subdomains. We conclude that an awareness of subdomain variation is important when considering the practical use of language processing applications by biomedical researchers.
A rare variation of the digastric muscle
KALNIEV, MANOL; KRASTEV, DIMO; KRASTEV, NIKOLAY; VIDINOV, KALIN; VELTCHEV, LUDMIL; APOSTOLOV, ALEXANDER; MILEVA, MILKA
2013-01-01
The digastric muscle is composed by two muscle bellies: an anterior and a posterior, joined by an intermediate tendon. This muscle is situated in the anterior region of the neck. The region between the hyoid bone and the mandible is divided by an anterior belly into two triangles: the submandibular situated laterally and the submental triangle which is located medially. We found that the anatomical variations described in the literature relate mainly to the anterior belly and consist of differences in shape and attachment of the muscle. During routine dissection in February 2013 in the section hall of the Department of Anatomy and Histology in Medical University – Sofia we came across a very interesting variation of the digastric muscle. The digastric muscles that presented anatomical variations were photographed using a Sony Cyber-shot DSC-T1 camera, with a Carl Zeiss Vario-Tessar lens. We found out bilateral variation of the digastric muscle in one cadaver. The anterior bellies were very thin and insert to the hyoid bone. Two anterior bellies connect each other and thus they formed a loop. The anatomical variations observed of our study related only to the anterior belly, as previously described by other authors. It is very important to consider the occurrence of the above mentioned variations in the digastric muscle when surgical procedures are performed on the anterior region of the neck. PMID:26527971
Variational lower bound on the scattering length
International Nuclear Information System (INIS)
Rosenberg, L.; Spruch, L.
1975-01-01
The scattering length A characterizes the zero-energy scattering of one system by another. It was shown some time ago that a variational upper bound on A could be obtained using methods, of the Rayleigh-Ritz type, which are commonly employed to obtain upper bounds on energy eigenvalues. Here we formulate a method for obtaining a variational lower bound on A. Once again the essential idea is to express the scattering length as a variational estimate plus an error term and then to reduce the problem of bounding the error term to one involving bounds on energy eigenvalues. In particular, the variational lower bound on A is rigorously established provided a certin modified Hamiltonian can be shown to have no discrete states lying below the level of the continuum threshold. It is unfortunately true that necessary conditions for the existence of bound states are not available for multiparticle systems in general. However, in the case of positron-atom scattering the adiabatic approximation can be introduced as an (essentially) solvable comparison problem to rigorously establish the nonexistence of bound states of the modified Hamiltonian. It has recently been shown how the validity of the variational upper bound on A can be maintained when the target ground-state wave function is imprecisely known. Similar methods can be used to maintain the variational lower bound on A. Since the bound is variational, the error in the calculated scattering length will be of second order in the error in the wave function. The use of the adiabatic approximation in the present context places no limitation in principle on the accuracy achievable
Luminosity Variations in Post-AGB Stars
Mesler, Robert; Henson, G.
2007-12-01
Although much is known about AGB stars and planetary nebulae, relatively little is known about the phase of a star's life in which it transitions between those two states. We have measured the variations in luminosity of a sample of known Post-AGB stars (as well as several candidates) relative to nearby, non-variable stars in order to compare them with theoretical models. The typical behavior of the observed variations is described and an attempt is made to discern whether any periodicity might be present. Luminosity variations were found to be on the order of a few hundredths to a few tenths of a magnitude for the stars that were surveyed, with occasional fluctuations of up to a magnitude. This agrees with current models of Post-AGB stars. Each star fell into one of three categories, which were termed groups 1, 2, and 3. Group 1 stars showed long term, non-periodic luminosity variations on the scale of weeks or longer and were most likely to display some sort of short term, coherent luminosity oscillation (each of which lasted for only a few cycles). Group 2 stars showed erratic, short-term magnitude variations occurring on scales of several days. Group 3 stars showed little or no variation in magnitude. Of the 27 Post-AGB stars that were sampled, five fell into group 1, fifteen fell into group 2, and seven fell into group 3. The luminosity variations tended to be color-independent, and occurred on timescales ranging nearly continuously from a few days to more than a year. No clear periodic behavior was found in any star in our sample. This project was funded by a partnership between the National Science Foundation (NSF AST-0552798), Research Experiences for Undergraduates (REU), and the Department of Defense (DoD) ASSURE (Awards to Stimulate and Support Undergraduate Research Experiences) programs.
DEFF Research Database (Denmark)
Joseph, Bindu; Corwin, Jason A.; Li, Baohua
2013-01-01
Understanding genome to phenotype linkages has been greatly enabled by genomic sequencing. However, most genome analysis is typically confined to the nuclear genome. We conducted a metabolomic QTL analysis on a reciprocal RIL population structured to examine how variation in the organelle genomes...... was a central hub in the epistatic network controlling the plant metabolome. This epistatic influence manifested such that the cytoplasmic background could alter or hide pairwise epistasis between nuclear loci. Thus, cytoplasmic genetic variation plays a central role in controlling natural variation...... in metabolomic networks. This suggests that cytoplasmic genomes must be included in any future analysis of natural variation....
Directory of Open Access Journals (Sweden)
Lisa L Ellis
2014-07-01
Full Text Available We determined female genome sizes using flow cytometry for 211 Drosophila melanogaster sequenced inbred strains from the Drosophila Genetic Reference Panel, and found significant conspecific and intrapopulation variation in genome size. We also compared several life history traits for 25 lines with large and 25 lines with small genomes in three thermal environments, and found that genome size as well as genome size by temperature interactions significantly correlated with survival to pupation and adulthood, time to pupation, female pupal mass, and female eclosion rates. Genome size accounted for up to 23% of the variation in developmental phenotypes, but the contribution of genome size to variation in life history traits was plastic and varied according to the thermal environment. Expression data implicate differences in metabolism that correspond to genome size variation. These results indicate that significant genome size variation exists within D. melanogaster and this variation may impact the evolutionary ecology of the species. Genome size variation accounts for a significant portion of life history variation in an environmentally dependent manner, suggesting that potential fitness effects associated with genome size variation also depend on environmental conditions.
Ellis, Lisa L.; Huang, Wen; Quinn, Andrew M.; Ahuja, Astha; Alfrejd, Ben; Gomez, Francisco E.; Hjelmen, Carl E.; Moore, Kristi L.; Mackay, Trudy F. C.; Johnston, J. Spencer; Tarone, Aaron M.
2014-01-01
We determined female genome sizes using flow cytometry for 211 Drosophila melanogaster sequenced inbred strains from the Drosophila Genetic Reference Panel, and found significant conspecific and intrapopulation variation in genome size. We also compared several life history traits for 25 lines with large and 25 lines with small genomes in three thermal environments, and found that genome size as well as genome size by temperature interactions significantly correlated with survival to pupation and adulthood, time to pupation, female pupal mass, and female eclosion rates. Genome size accounted for up to 23% of the variation in developmental phenotypes, but the contribution of genome size to variation in life history traits was plastic and varied according to the thermal environment. Expression data implicate differences in metabolism that correspond to genome size variation. These results indicate that significant genome size variation exists within D. melanogaster and this variation may impact the evolutionary ecology of the species. Genome size variation accounts for a significant portion of life history variation in an environmentally dependent manner, suggesting that potential fitness effects associated with genome size variation also depend on environmental conditions. PMID:25057905
Genomic Sequence Variation Markup Language (GSVML).
Nakaya, Jun; Kimura, Michio; Hiroi, Kaei; Ido, Keisuke; Yang, Woosung; Tanaka, Hiroshi
2010-02-01
With the aim of making good use of internationally accumulated genomic sequence variation data, which is increasing rapidly due to the explosive amount of genomic research at present, the development of an interoperable data exchange format and its international standardization are necessary. Genomic Sequence Variation Markup Language (GSVML) will focus on genomic sequence variation data and human health applications, such as gene based medicine or pharmacogenomics. We developed GSVML through eight steps, based on case analysis and domain investigations. By focusing on the design scope to human health applications and genomic sequence variation, we attempted to eliminate ambiguity and to ensure practicability. We intended to satisfy the requirements derived from the use case analysis of human-based clinical genomic applications. Based on database investigations, we attempted to minimize the redundancy of the data format, while maximizing the data covering range. We also attempted to ensure communication and interface ability with other Markup Languages, for exchange of omics data among various omics researchers or facilities. The interface ability with developing clinical standards, such as the Health Level Seven Genotype Information model, was analyzed. We developed the human health-oriented GSVML comprising variation data, direct annotation, and indirect annotation categories; the variation data category is required, while the direct and indirect annotation categories are optional. The annotation categories contain omics and clinical information, and have internal relationships. For designing, we examined 6 cases for three criteria as human health application and 15 data elements for three criteria as data formats for genomic sequence variation data exchange. The data format of five international SNP databases and six Markup Languages and the interface ability to the Health Level Seven Genotype Model in terms of 317 items were investigated. GSVML was developed as
Seismic noise level variation in South Korea
Sheen, D.; Shin, J.
2008-12-01
The variations of seismic background noise in South Korea have been investigated by means of power spectral analysis. The Korea Institute of Geoscience and Mineral Resources (KIGAM) and the Korea Meteorological Administation (KMA) have national wide seismic networks in South Korea, and, in the end of 2007, there are 30 broadband stations which have been operating for more than a year. In this study, we have estimated the power spectral density of seismic noise for 30 broadband stations from 2005 to 2007. Since we estimate PSDs from a large dataset of continuous waveform in this study, a robust PSD estimate of McNamara and Buland (2004) is used. In the frequency range 1-5 Hz, the diurnal variations of noise are observed at most of stations, which are especially larger at coastal stations and at insular than at inland. Some stations shows daily difference of diurnal variations, which represents that cultural activities contribute to the noise level of a station. The variation of number of triggered stations, however, shows that cultural noise has little influence on the detection capability of seismic network in South Korea. Seasonal variations are observed well in the range 0.1-0.5 Hz, while much less found in the frequency range 1-5 Hz. We observed that strong peaks in the range 0.1-0.5 Hz occur at the summer when Pacific typhoons are close to the Korean Peninsula.
The ecological importance of intraspecific variation.
Des Roches, Simone; Post, David M; Turley, Nash E; Bailey, Joseph K; Hendry, Andrew P; Kinnison, Michael T; Schweitzer, Jennifer A; Palkovacs, Eric P
2018-01-01
Human activity is causing wild populations to experience rapid trait change and local extirpation. The resulting effects on intraspecific variation could have substantial consequences for ecological processes and ecosystem services. Although researchers have long acknowledged that variation among species influences the surrounding environment, only recently has evidence accumulated for the ecological importance of variation within species. We conducted a meta-analysis comparing the ecological effects of variation within a species (intraspecific effects) with the effects of replacement or removal of that species (species effects). We evaluated direct and indirect ecological responses, including changes in abundance (or biomass), rates of ecological processes and changes in community composition. Our results show that intraspecific effects are often comparable to, and sometimes stronger than, species effects. Species effects tend to be larger for direct ecological responses (for example, through consumption), whereas intraspecific effects and species effects tend to be similar for indirect responses (for example, through trophic cascades). Intraspecific effects are especially strong when indirect interactions alter community composition. Our results summarize data from the first generation of studies examining the relative ecological effects of intraspecific variation. Our conclusions can help inform the design of future experiments and the formulation of strategies to quantify and conserve biodiversity.
Variational theory of nuclear and neutron matter
Energy Technology Data Exchange (ETDEWEB)
Pandharipande, V.R.; Wiringa, R.B. (Illinois Univ., Urbana, IL (USA). Dept. of Physics; Argonne National Lab., IL (USA))
1989-06-01
In these lectures we will discuss attempts to solve the A = 3 to {infinity} nuclear many-body problems with the variational method. We choose the form of a variational wave function {Chi}{sub v}(1, 2{hor ellipsis}A) to describe the ground state. The {Chi}{sub v} and the ground-state energy E{sub v} are obtained by minimizing E{sub v} = {l angle}{Chi}{sub v}{vert bar}H{vert bar}{Chi}{sub v}{r angle}/{l angle}{Chi}{sub v}{vert bar}{Chi}{sub v}{r angle} with respect to variations in {Chi}{sub v}. If the form of the variational wave function is chosen properly we can expect {Chi}{sub v} {approx} {Chi}{sub 0} and E{sub v} {approx} E{sub 0} where {Chi}{sub 0} and E{sub 0} are the exact ground-state wave function and energy. In general E{sub v} {ge} E{sub 0} in variational calculations. 63 refs., 11 figs.
Variational estimates of point-kinetics parameters
International Nuclear Information System (INIS)
Favorite, J.A.; Stacey, W.M. Jr.
1995-01-01
Variational estimates of the effect of flux shifts on the integral reactivity parameter of the point-kinetics equations and on regional power fractions were calculated for a variety of localized perturbations in two light water reactor (LWR) model problems representing a small, tightly coupled core and a large, loosely coupled core. For the small core, the flux shifts resulting from even relatively large localized reactivity changes (∼600 pcm) were small, and the standard point-kinetics approximation estimates of reactivity were in error by only ∼10% or less, while the variational estimates were accurate to within ∼1%. For the larger core, significant (>50%) flux shifts occurred in response to local perturbations, leading to errors of the same magnitude in the standard point-kinetics approximation of the reactivity worth. For positive reactivity, the error in the variational estimate of reactivity was only a few percent in the larger core, and the resulting transient power prediction was 1 to 2 orders of magnitude more accurate than with the standard point-kinetics approximation. For a large, local negative reactivity insertion resulting in a large flux shift, the accuracy of the variational estimate broke down. The variational estimate of the effect of flux shifts on reactivity in point-kinetics calculations of transients in LWR cores was found to generally result in greatly improved accuracy, relative to the standard point-kinetics approximation, the exception being for large negative reactivity insertions with large flux shifts in large, loosely coupled cores
Prostate Contouring Variation: Can It Be Fixed?
International Nuclear Information System (INIS)
Khoo, Eric L.H.; Schick, Karlissa; Plank, Ashley W.; Poulsen, Michael; Wong, Winnie W.G.; Middleton, Mark; Martin, Jarad M.
2012-01-01
Purpose: To assess whether an education program on CT and MRI prostate anatomy would reduce inter- and intraobserver prostate contouring variation among experienced radiation oncologists. Methods and Materials: Three patient CT and MRI datasets were selected. Five radiation oncologists contoured the prostate for each patient on CT first, then MRI, and again between 2 and 4 weeks later. Three education sessions were then conducted. The same contouring process was then repeated with the same datasets and oncologists. The observer variation was assessed according to changes in the ratio of the encompassing volume to intersecting volume (volume ratio [VR]), across sets of target volumes. Results: For interobserver variation, there was a 15% reduction in mean VR with CT, from 2.74 to 2.33, and a 40% reduction in mean VR with MRI, from 2.38 to 1.41 after education. A similar trend was found for intraobserver variation, with a mean VR reduction for CT and MRI of 9% (from 1.51 to 1.38) and 16% (from 1.37 to 1.15), respectively. Conclusion: A well-structured education program has reduced both inter- and intraobserver prostate contouring variations. The impact was greater on MRI than on CT. With the ongoing incorporation of new technologies into routine practice, education programs for target contouring should be incorporated as part of the continuing medical education of radiation oncologists.
Genetic Variations Involved in Vitamin E Status
Directory of Open Access Journals (Sweden)
Patrick Borel
2016-12-01
Full Text Available Vitamin E (VE is the generic term for four tocopherols and four tocotrienols that exhibit the biological activity of α-tocopherol. VE status, which is usually estimated by measuring fasting blood VE concentration, is affected by numerous factors, such as dietary VE intake, VE absorption efficiency, and VE catabolism. Several of these factors are in turn modulated by genetic variations in genes encoding proteins involved in these factors. To identify these genetic variations, two strategies have been used: genome-wide association studies and candidate gene association studies. Each of these strategies has its advantages and its drawbacks, nevertheless they have allowed us to identify a list of single nucleotide polymorphisms associated with fasting blood VE concentration and α-tocopherol bioavailability. However, much work remains to be done to identify, and to replicate in different populations, all the single nucleotide polymorphisms involved, to assess the possible involvement of other kind of genetic variations, e.g., copy number variants and epigenetic modifications, in order to establish a reliable list of genetic variations that will allow us to predict the VE status of an individual by knowing their genotype in these genetic variations. Yet, the potential usefulness of this area of research is exciting with regard to personalized nutrition and for future clinical trials dedicated to assessing the biological effects of the various isoforms of VE.
Period Variations for the Cepheid VZ Cyg
Sirorattanakul, Krittanon; Engle, Scott; Pepper, Joshua; Wells, Mark; Laney, Clifton D.; Rodriguez, Joseph E.; Stassun, Keivan G.
2017-12-01
The Cepheid Period-Luminosity law is a key rung on the extragalactic distance ladder. However, numerous Cepheids are known to undergo period variations. Monitoring, refining, and understanding these period variations allows us to better determine the parameters of the Cepheids themselves and of the instability strip in which they reside, and to test models of stellar evolution. VZ Cyg, a classical Cepheid pulsating at ˜4.864 days, has been observed for over 100 years. Combining data from literature observations, the Kilodegree Extremely Little Telescope (KELT) transit survey, and new targeted observations with the Robotically Controlled Telescope (RCT) at Kitt Peak, we find a period change rate of dP/dt = -0.0642 ± 0.0018 s yr-1. However, when only the recent observations are examined, we find a much higher period change rate of dP/dt = -0.0923 ± 0.0110 s yr-1. This higher rate could be due to an apparent long-term (P ≈ 26.5 years) cyclic period variation. The possible interpretations of this single Cepheid’s complex period variations underscore both the need to regularly monitor pulsating variables and the important benefits that photometric surveys such as KELT can have on the field. Further monitoring of this interesting example of Cepheid variability is recommended to confirm and better understand the possible cyclic period variations. Further, Cepheid timing analyses are necessary to fully understand their current behaviors and parameters, as well as their evolutionary histories.
Variational approach to nuclear fluid dynamics
International Nuclear Information System (INIS)
Da Providencia, J.P.; Holzwarth, G.
1983-01-01
A variational derivation of a fluid-dynamical formalism for finite Fermi systems is presented which is based on a single determinant as variational function and does not exclude the possibility of transverse flow. Therefore the explicit specification of the time-odd part has to go beyond the local chi-approximation, while the time-even part is taken in the generalized scaling form. The necessary boundary conditions are derived from the variation of the lagrangian. The results confirm previous simplified approaches to a remarkable degree for quadrupole modes; for other multipolarities the deviations are much less than might be expected according to a sizeable change in the transverse sound speed. (orig.)
Chambolle's Projection Algorithm for Total Variation Denoising
Directory of Open Access Journals (Sweden)
Joan Duran
2013-12-01
Full Text Available Denoising is the problem of removing the inherent noise from an image. The standard noise model is additive white Gaussian noise, where the observed image f is related to the underlying true image u by the degradation model f=u+n, and n is supposed to be at each pixel independently and identically distributed as a zero-mean Gaussian random variable. Since this is an ill-posed problem, Rudin, Osher and Fatemi introduced the total variation as a regularizing term. It has proved to be quite efficient for regularizing images without smoothing the boundaries of the objects. This paper focuses on the simple description of the theory and on the implementation of Chambolle's projection algorithm for minimizing the total variation of a grayscale image. Furthermore, we adapt the algorithm to the vectorial total variation for color images. The implementation is described in detail and its parameters are analyzed and varied to come up with a reliable implementation.
Lunar nitrogen: Secular variation or mixing?
International Nuclear Information System (INIS)
Norris, S.J.; Wright, I.P.; Pillinger, C.T.
1986-01-01
The two current models to explain the nearly 40% variation of the lunar nitrogen isotopic composition are: (1) secular variation of solar wind nitrogen; and (2) a two component mixing model having a constant, heavy solar wind admixed with varying amounts of indigenous light lunar N (LLN). Both models are needed to explain the step pyrolysis extraction profile. The secular variation model proposes that the low temperature release is modern day solar wind implanted into grain surfaces, the 900 C to 1100 C release is from grain surfaces which were once exposed to the ancient solar wind but which are now trapped inside agglutinates, and the >1100 C release as spallogenic N produced by cosmic rays. The mixing model ascribes the components to solar wind, indigenous lunar N and spallogenic N respectively. An extension of either interpretation is that the light N seen in lunar breccias or deep drill cores represent conditions when more N-14 was available to the lunar surface
Smart variations: Functional substructures for part compatibility
Zheng, Youyi
2013-05-01
As collections of 3D models continue to grow, reusing model parts allows generation of novel model variations. Naïvely swapping parts across models, however, leads to implausible results, especially when mixing parts across different model families. Hence, the user has to manually ensure that the final model remains functionally valid. We claim that certain symmetric functional arrangements (sFarr-s), which are special arrangements among symmetrically related substructures, bear close relation to object functions. Hence, we propose a purely geometric approach based on such substructures to match, replace, and position triplets of parts to create non-trivial, yet functionally plausible, model variations. We demonstrate that starting even from a small set of models such a simple geometric approach can produce a diverse set of non-trivial and plausible model variations. © 2013 The Author(s) Computer Graphics Forum © 2013 The Eurographics Association and Blackwell Publishing Ltd.
Variational principles for the projected breakup amplitude
International Nuclear Information System (INIS)
Hahn, Y.
1976-01-01
Two alternate forms of variational principles for the breakup amplitude describing the two- to three-cluster transition are derived such that all the integrals involved in the intermediate stages are well defined. The first form contains a trial Green's function with which both the initial and final state trial wave functions are constructed. The earlier form of the Kohn-type variational principle derived by Lieber, Rosenberg, and Spruch is recovered, however, when this connection between the trial functions is removed. The second form of the variational principle is derived by projecting out from the trial functions all the open channel components which correspond to the two-cluster structures including the rearrangement channels. The remaining part of the wave functions describes the channels with three-cluster structures, and the integrals involving this part are then mathematically well defined
Practice Variation in Public Sector Internal Auditing
DEFF Research Database (Denmark)
Arena, Marika; Jeppesen, Kim Klarskov
2016-01-01
This article aims to analyze the rise of practice variations in public sector internal auditing (IA), giving special attention to the role of agents’ embeddedness in multiple institutional arrangements. IA's trends of development and the characteristics of the public sector context, in fact, make...... types of IA developed in three case settings, shaped by the agents’ embeddedness in different institutional fields. This article provides a more comprehensive approach to the study of IA adoption and development in public sector organizations than previous literature, and it highlights the relevance...... of the interplay between actors’ contemporary embeddedness in professional systems and the focal social system as a relevant source of practice variation. In this respect, the case of IA can contribute to previous studies of practice variation in the field of management accounting, shedding some light on the types...
Decomposing Firm-level Sales Variation
DEFF Research Database (Denmark)
Munch, Jakob Roland; Nguyen, Daniel Xuyen
, and that for the median product it drives 31% of the sales variation. When we remove first-time exports from our sample, the median value increases to 40%, implying that firm-destination-specific effects are most important the first year. We conclude that while firm-specific productivity can account for some......We measure the contribution of firm-specific effects to overall sales variation within a destination and find it remarkably low. Our empirical decomposition is structurally motivated by a heterogeneity model of exporting involving destination-specific, firm-specific, and firm......-destination-specific latent effects with incidental truncation. We use a highly detailed dataset with exports by products and destinations for all Danish manufacturing fi…rms. We fi…nd the contribution of firm-specific heterogeneity to within-destination sales variation varies greatly across HS6 products...
Total variation-based neutron computed tomography
Barnard, Richard C.; Bilheux, Hassina; Toops, Todd; Nafziger, Eric; Finney, Charles; Splitter, Derek; Archibald, Rick
2018-05-01
We perform the neutron computed tomography reconstruction problem via an inverse problem formulation with a total variation penalty. In the case of highly under-resolved angular measurements, the total variation penalty suppresses high-frequency artifacts which appear in filtered back projections. In order to efficiently compute solutions for this problem, we implement a variation of the split Bregman algorithm; due to the error-forgetting nature of the algorithm, the computational cost of updating can be significantly reduced via very inexact approximate linear solvers. We present the effectiveness of the algorithm in the significantly low-angular sampling case using synthetic test problems as well as data obtained from a high flux neutron source. The algorithm removes artifacts and can even roughly capture small features when an extremely low number of angles are used.
Process Variations and Probabilistic Integrated Circuit Design
Haase, Joachim
2012-01-01
Uncertainty in key parameters within a chip and between different chips in the deep sub micron era plays a more and more important role. As a result, manufacturing process spreads need to be considered during the design process. Quantitative methodology is needed to ensure faultless functionality, despite existing process variations within given bounds, during product development. This book presents the technological, physical, and mathematical fundamentals for a design paradigm shift, from a deterministic process to a probability-orientated design process for microelectronic circuits. Readers will learn to evaluate the different sources of variations in the design flow in order to establish different design variants, while applying appropriate methods and tools to evaluate and optimize their design. Trains IC designers to recognize problems caused by parameter variations during manufacturing and to choose the best methods available to mitigate these issues during the design process; Offers both qual...
Solar wind velocity and geomagnetic moment variations
International Nuclear Information System (INIS)
Kalinin, Yu.D.; Rozanova, T.S.
1982-01-01
The mean year values of the solar wind velocity have been calculated from the mean-year values of a geomagnetic activity index am according to the Svalgard equation of regression for the pe-- riod from 1930 to 1960. For the same years the values of the geomagnetic moment M and separately of its ''inner'' (causes of which'' are inside the Earth) and ''external'' (causes of which are outside the Earth) parts have been calculated from the mean year data of 12 magnetic observatories. The proof of the presence of the 11-year variation in the moment M has been obtained. It is concluded that the 11-year variations in M result from the variations of the solar wind velocity
Heterogeneous treatment in the variational nodal method
International Nuclear Information System (INIS)
Fanning, T.H.
1995-01-01
The variational nodal transport method is reduced to its diffusion form and generalized for the treatment of heterogeneous nodes while maintaining nodal balances. Adapting variational methods to heterogeneous nodes requires the ability to integrate over a node with discontinuous cross sections. In this work, integrals are evaluated using composite gaussian quadrature rules, which permit accurate integration while minimizing computing time. Allowing structure within a nodal solution scheme avoids some of the necessity of cross section homogenization, and more accurately defines the intra-nodal flux shape. Ideally, any desired heterogeneity can be constructed within the node; but in reality, the finite set of basis functions limits the practical resolution to which fine detail can be defined within the node. Preliminary comparison tests show that the heterogeneous variational nodal method provides satisfactory results even if some improvements are needed for very difficult, configurations
A variational principle for the plasma centrifuge
International Nuclear Information System (INIS)
Ludwig, G.O.
1986-09-01
A variational principle is derived which describes the stationary state of the plasma column in a plasma centrifuge. Starting with the fluid equations in a rotating frame the theory is developed using the method of irreversible thermodynamics. This formulation easily leads to an expression for the density distribution of the l-species at sedimentation equilibrium, taking into account the effect of the electric and magnetic forces. Assuming stationary boundary conditions and rigid rotation nonequilibrium states the condition for thermodynamic stability integrated over the volume of the system reduces, under certain restrictions, to the principle of minimum entropy production in the stationary state. This principle yields a variational problem which is equivalent to the original problem posed by the stationary fluid equations. The variational method is useful in achieving approximate solutions that give the electric potential and current distributions in the rotating plasma column consistent with an assumed plasma density profile. (Author) [pt
COELIAC TRUNK BRANCHING PATTERN AND VARIATION
Directory of Open Access Journals (Sweden)
Jude Jose Thomson
2017-01-01
Full Text Available BACKGROUND Anatomical variations involving the visceral arteries are common. However, variations in coeliac trunk are usually asymptomatic, they may become important in patients undergoing diagnostic angiography for gastrointestinal bleeding or prior to an operative procedure. This study was useful for knowing the possible morphological variations before an upper abdominal surgery. MATERIALS AND METHODS This was a descriptive study done by cadaveric dissection, conducted on thirty cadavers. The coeliac trunk being examined for its origin, branching pattern, distribution, and variations. Results were statistically analysed and compared with the previous studies. RESULTS In our study, 60% of the coeliac trunk shows variations and 40% have normal branching pattern. A complete absence of coeliac trunk was observed in one case. In the present study the Right inferior phrenic artery arising from coeliac trunk in 2 cases (6.6% and left inferior phrenic artery arising from coeliac trunk in 3 cases (9.9%. Both inferior phrenic arteries are arising from coeliac trunk in 2 cases (6.6%. The common hepatomesenteric trunk and gastro splenic trunk was found in 1 case (3.3%. Hepatosplenic trunk was found in 2 cases (6.6%. In another 2 cases (6.6% gastric and hepatic artery originate from coeliac trunk but splenic artery has a separate origin from abdominal aorta. An absent trunk was also found in 1 case (3.3%. In 5 cases (16.7% showed trifurcation with variation in the branching pattern. CONCLUSION The branching pattern and extreme degree variability in coeliac trunk as brought out in the observations of the present study make it obvious that the present study almost falls in description with previous studies.
On the Limitations of Variational Bias Correction
Moradi, Isaac; Mccarty, Will; Gelaro, Ronald
2018-01-01
Satellite radiances are the largest dataset assimilated into Numerical Weather Prediction (NWP) models, however the data are subject to errors and uncertainties that need to be accounted for before assimilating into the NWP models. Variational bias correction uses the time series of observation minus background to estimate the observations bias. This technique does not distinguish between the background error, forward operator error, and observations error so that all these errors are summed up together and counted as observation error. We identify some sources of observations errors (e.g., antenna emissivity, non-linearity in the calibration, and antenna pattern) and show the limitations of variational bias corrections on estimating these errors.
Copernicus observations of Iota Herculis velocity variations
Rogerson, J. B., Jr.
1984-01-01
Observations of Iota Her at 109.61-109.67 nm obtained with the U1 channel of the Copernicus spectrophotometer at resolution 5 pm during 3.6 days in May, 1979, are reported. Radial-velocity variations are detected and analyzed as the sum of two sinusoids with frequencies 0.660 and 0.618 cycles/day and amplitudes 9.18 and 8.11 km/s, respectively. Weak evidence supporting the 13.9-h periodicity seen in line-profile variations by Smith (1978) is found.
Managing Cultural Variation in Software Process Improvement
DEFF Research Database (Denmark)
Kræmmergaard, Pernille; Müller, Sune Dueholm; Mathiassen, Lars
The scale and complexity of change in software process improvement (SPI) are considerable and managerial attention to organizational culture during SPI can therefore potentially contribute to successful outcomes. However, we know little about the impact of variations in organizational subculture ...... organizations can have important implications for SPI outcomes. Furthermore, it provides insights into how software managers can practically assess subcultures to inform decisions about and help prepare plans for SPI initiatives.......The scale and complexity of change in software process improvement (SPI) are considerable and managerial attention to organizational culture during SPI can therefore potentially contribute to successful outcomes. However, we know little about the impact of variations in organizational subculture...
A probabilistic Hu-Washizu variational principle
Liu, W. K.; Belytschko, T.; Besterfield, G. H.
1987-01-01
A Probabilistic Hu-Washizu Variational Principle (PHWVP) for the Probabilistic Finite Element Method (PFEM) is presented. This formulation is developed for both linear and nonlinear elasticity. The PHWVP allows incorporation of the probabilistic distributions for the constitutive law, compatibility condition, equilibrium, domain and boundary conditions into the PFEM. Thus, a complete probabilistic analysis can be performed where all aspects of the problem are treated as random variables and/or fields. The Hu-Washizu variational formulation is available in many conventional finite element codes thereby enabling the straightforward inclusion of the probabilistic features into present codes.
Variational constraints for electrical-impedance tomography
International Nuclear Information System (INIS)
Berryman, J.G.; Kohn, R.V.
1990-01-01
The task of electrical-impedance tomography is to invert boundary measurements for the conductivity distribution of a body. This inverse problem can be formulated so the primary data are the measured powers dissipated across injection electrodes. Then, since these powers are minima of the pertinent (dual) variational principles, feasibility constraints can be found for the nonlinear inversion problem. When power may be measured accurately, the existence of these dual variational principles implies that any exact solution must lie at a point of intersection of the two feasibility boundaries
Overlapping constraint for variational surface reconstruction
DEFF Research Database (Denmark)
Aanæs, Henrik; Solem, J.E.
2005-01-01
In this paper a counter example, illustrating a shortcoming in most variational formulations for 3D surface estimation, is presented. The nature of this shortcoming is a lack of an overlapping constraint. A remedy for this shortcoming is presented in the form of a penalty function with an analysi...... of the effects of this function on surface motion. For practical purposes, this will only have minor influence on current methods. However, the insight provided in the analysis is likely to influence future developments in the field of variational surface reconstruction....
Genetic variations in multiple myeloma I
DEFF Research Database (Denmark)
Vangsted, A.; Klausen, T.W.; Vogel, Ulla Birgitte
2012-01-01
Few risk factors have been established for the plasma cell disorder multiple myeloma, but some of these like African American ethnicity and a family history of B-cell lymphoproliferative diseases suggest a genetic component for the disease. Genetic variation represents the genetic basis of variab......Few risk factors have been established for the plasma cell disorder multiple myeloma, but some of these like African American ethnicity and a family history of B-cell lymphoproliferative diseases suggest a genetic component for the disease. Genetic variation represents the genetic basis...
Delay Variation Model with Two Service Queues
Directory of Open Access Journals (Sweden)
Filip Rezac
2010-01-01
Full Text Available Delay in VoIP technology is very unpleasant issue and therefore a voice packets prioritization must be ensured. To maintain the high call quality a maximum information delivery time from the sender to the recipient is set to 150 ms. This paper focuses on the design of a mathematical model of end-to-end delay of a VoIP connection, in particular on a delay variation. It describes all partial delay components and mechanisms, their generation, facilities and mathematical formulations. A new approach to the delay variation model is presented and its validation has been done by experimention.
Geometric Total Variation for Texture Deformation
DEFF Research Database (Denmark)
Bespalov, Dmitriy; Dahl, Anders Lindbjerg; Shokoufandeh, Ali
2010-01-01
In this work we propose a novel variational method that we intend to use for estimating non-rigid texture deformation. The method is able to capture variation in grayscale images with respect to the geometry of its features. Our experimental evaluations demonstrate that accounting for geometry...... of features in texture images leads to significant improvements in localization of these features, when textures undergo geometrical transformations. Accurate localization of features in the presense of unkown deformations is a crucial property for texture characterization methods, and we intend to expoit...
Dochtermann, Ned A; Schwab, Tori; Sih, Andrew
2015-01-07
Individual animals frequently exhibit repeatable differences from other members of their population, differences now commonly referred to as 'animal personality'. Personality differences can arise, for example, from differences in permanent environmental effects--including parental and epigenetic contributors--and the effect of additive genetic variation. Although several studies have evaluated the heritability of behaviour, less is known about general patterns of heritability and additive genetic variation in animal personality. As overall variation in behaviour includes both the among-individual differences that reflect different personalities and temporary environmental effects, it is possible for personality to be largely genetically influenced even when heritability of behaviour per se is quite low. The relative contribution of additive genetic variation to personality variation can be estimated whenever both repeatability and heritability are estimated for the same data. Using published estimates to address this issue, we found that approximately 52% of animal personality variation was attributable to additive genetic variation. Thus, while the heritability of behaviour is often moderate or low, the heritability of personality is much higher. Our results therefore (i) demonstrate that genetic differences are likely to be a major contributor to variation in animal personality and (ii) support the phenotypic gambit: that evolutionary inferences drawn from repeatability estimates may often be justified. © 2014 The Author(s) Published by the Royal Society. All rights reserved.
1. Plant functional traits provide a mechanistic basis for understanding ecological variation among plant species and the implications of this variation for species distribution, community assembly and restoration. 2. The bulk of our functional trait understanding, however, is centered on traits rel...
DEFF Research Database (Denmark)
Eifler, Tobias; Boorla, Srinivasa Murthy; Howard, Thomas J.
2016-01-01
The need to mitigate the effects of manufacturing variation already in design is nowadays commonly acknowledged and has led to a wide use of predictive modeling techniques, tolerancing approaches, etc. in industry. The trustworthiness of corresponding variation analyses is, however, not ensured...... by the availability of sophisticated methods and tools alone, but does evidently also depend on the accuracy of the input information used. As existing approaches for the description of manufacturing variation focus however, almost exclusively, on monitoring and controlling production processes, there is frequently...... a lack of objective variation data in design. As a result, variation analyses and tolerancing activities rely on numerous assumptions made to fill the gaps of missing or incomplete data. To overcome this hidden subjectivity, a schema for a consistent and standardised description of manufacturing...
Ethnic variations in acute coronary syndromes
Lanza, G A
2004-01-01
Although it is very likely that ethnic variations in the incidence and, possibly, clinical outcome of acute coronary artery disease events exist, the causes for such differences are many and difficult to address fully, given the complex interplay of contributing factors
Bilateral Variations of the Testicular Vessels: Embryological ...
African Journals Online (AJOL)
[4] The variations in the number, unusual course and atypical drainage of testicular veins are attributed to their embryologic origin.[1,3,5] The embryogenesis of IVC involves the development, regression, anastomosis and replacement of three pairs of venous channels: Posterior cardinal, subcardinal and supracardinal.[6].
Climate variations and the enhanced greenhouse effect
Energy Technology Data Exchange (ETDEWEB)
Karlen, W. [Stockholm Univ. (Sweden). Dept. of Physical Geography
1998-06-01
Changes in the size of glaciers, in the altitude of the alpine tree-limit, and variation in the width of tree-rings during the Holocene clearly indicate that the average Scandinavian summer temperature has fluctuated. During warm periods it has been about 2 deg C warmer than at present; during cold periods it has been almost as cold as it was during the coldest decades of the previous centuries. Superimposed on these long-term variations, which have lasted from 100 to 200 years, are short fluctuations in temperature. The Scandinavian chronology, which is based on glacier and alpine tree-limit fluctuations as well as on dendrochronology, is well correlated with the changes in climate, which studies of ice cores from central Greenland have revealed. It is therefore believed that the Scandinavian climate chronology depicts conditions typical of a large area. The Scandinavian record is compared with data concerning solar irradiation variations estimated as {sup 14}C anomalies obtained from tree-rings. A correlation between major changes in climate and variations in solar irradiation points to a solar forcing of the climate. This means that there is no evidence of a human influence on climate so far Special issue. Research for mountain area development: Europe. 64 refs, 3 figs
Cultural Variation in Implicit Mental Illness Stigma.
Cheon, Bobby K; Chiao, Joan Y
2012-10-01
Culture shapes how individuals perceive and respond to others with mental illness. Prior studies have suggested that Asians and Asian Americans typically endorse greater stigma of mental illness compared to Westerners (White Europeans and Americans). However, whether these differences in stigma arise from cultural variations in automatic affective reactions or deliberative concerns of the appropriateness of one's reactions to mental illness remains unknown. Here we compared implicit and explicit attitudes toward mental illness among Asian and Caucasian Americans. Asian Americans showed stronger negative implicit attitudes toward mental illness relative to Caucasian Americans, suggesting that cultural variation in stigma of mental illness can be observed even when concerns regarding the validity and appropriateness of one's attitudes toward mental illness are minimized. Asian Americans also explicitly endorsed greater desire for social distance from mental illness relative to Caucasian Americans. These findings suggest that cultural variations in mental illness stigma may arise from cultural differences in automatic reactions to mental illness, though cultural variations in deliberative processing may further shape differences in these immediate reactions to mental illness.
Schwartz distributions in the Lagrange variational problem
International Nuclear Information System (INIS)
Anton, H.; Bahar, L.Y.
1978-01-01
Schwartz distributions are used to eliminate the necessity of imposing a priori conditions on the class of admissible functions in the Lagrange fixed end-point variational problem. This makes it possible to defer the imposition of conditions on the extremals until such conditions become apparent from physical considerations
Causal Genetic Variation Underlying Metabolome Differences.
Swain-Lenz, Devjanee; Nikolskiy, Igor; Cheng, Jiye; Sudarsanam, Priya; Nayler, Darcy; Staller, Max V; Cohen, Barak A
2017-08-01
An ongoing challenge in biology is to predict the phenotypes of individuals from their genotypes. Genetic variants that cause disease often change an individual's total metabolite profile, or metabolome. In light of our extensive knowledge of metabolic pathways, genetic variants that alter the metabolome may help predict novel phenotypes. To link genetic variants to changes in the metabolome, we studied natural variation in the yeast Saccharomyces cerevisiae We used an untargeted mass spectrometry method to identify dozens of metabolite Quantitative Trait Loci (mQTL), genomic regions containing genetic variation that control differences in metabolite levels between individuals. We mapped differences in urea cycle metabolites to genetic variation in specific genes known to regulate amino acid biosynthesis. Our functional assays reveal that genetic variation in two genes, AUA1 and ARG81 , cause the differences in the abundance of several urea cycle metabolites. Based on knowledge of the urea cycle, we predicted and then validated a new phenotype: sensitivity to a particular class of amino acid isomers. Our results are a proof-of-concept that untargeted mass spectrometry can reveal links between natural genetic variants and metabolome diversity. The interpretability of our results demonstrates the promise of using genetic variants underlying natural differences in the metabolome to predict novel phenotypes from genotype. Copyright © 2017 by the Genetics Society of America.
Variational functionals which admit discontinuous trial functions
International Nuclear Information System (INIS)
Nelson, P. Jr.
1975-01-01
It is argued that variational synthesis with discontinuous trial functions requires variational principles applicable to equations involving operators acting between distinct Hilbert spaces. A description is given of a Roussopoulos-type variational principle generalized to cover this situation. This principle is suggested as the basis for a unified approach to the derivation of variational functionals. In addition to esthetics, this approach has the advantage that the mathematical details increase the understanding of the derived functional, particularly the sense in which a synthesized solution should be regarded as an approximation to the true solution. By way of illustration, the generalized Roussopoulos principle is applied to derive a class of first-order diffusion functionals which admit trial functions containing approximations at an interface. These ''asymptotic'' interface quantities are independent of the limiting approximations from either side and permit use of different trial spectra at and on either side of an interface. The class of functionals derived contains as special cases both the Lagrange multiplier method of Buslik and two functionals of Lambropoulos and Luco. Some numerical results for a simple two-group model confirm that the ''multipliers'' can closely approximate the appropriate quantity in the region near an interface. (U.S.)
Detection of somaclonal variation in micropropagated Hibiscus ...
African Journals Online (AJOL)
The main objective of micropropagation is to produce clones i.e. plants which are phenotypically and genetically identical to the mother plants. The culture of organized meristems usually guarantees the production of true-to-type plants but variations in the progenies have been widely reported. Hibiscus sabdariffa L. plants ...
Applications of Pharmacogenetics in Revealing Variations in ...
African Journals Online (AJOL)
This review article presents the latest findings of genetic variations in pharmacological targets related to disorders of major systems such as central nervous system, cardiovascular system, and the respiratory system especially in relation to asthma and the HLA antigen genotype in hypersensitivity reactions. East and Central ...
Massless quantum electrodynamics: a variational study
International Nuclear Information System (INIS)
Piquini, P.C.
1990-01-01
The variational method was used to study the probable existence of a compound vacuum in quantum electrodynamics. An Ansatz containing a condensate of electron-positron pairs was investigated and an optimization equation for the condensate wave function found. (L.C.J.A.)
Variational Algorithms for Test Particle Trajectories
Ellison, C. Leland; Finn, John M.; Qin, Hong; Tang, William M.
2015-11-01
The theory of variational integration provides a novel framework for constructing conservative numerical methods for magnetized test particle dynamics. The retention of conservation laws in the numerical time advance captures the correct qualitative behavior of the long time dynamics. For modeling the Lorentz force system, new variational integrators have been developed that are both symplectic and electromagnetically gauge invariant. For guiding center test particle dynamics, discretization of the phase-space action principle yields multistep variational algorithms, in general. Obtaining the desired long-term numerical fidelity requires mitigation of the multistep method's parasitic modes or applying a discretization scheme that possesses a discrete degeneracy to yield a one-step method. Dissipative effects may be modeled using Lagrange-D'Alembert variational principles. Numerical results will be presented using a new numerical platform that interfaces with popular equilibrium codes and utilizes parallel hardware to achieve reduced times to solution. This work was supported by DOE Contract DE-AC02-09CH11466.
Monolingual Lexicography and Linguistic Variation in Shona
African Journals Online (AJOL)
R.B. Ruthven
Abstract: This article focuses on the problems lexicographers of monolingual dictionaries face when dealing with a language characterised by differences associated with geographical variation. The article specifically seeks to explore problems with which Shona lexicographers are confronted when working on monolingual ...
Equivariance, Variational Principles, and the Feynman Integral
Directory of Open Access Journals (Sweden)
George Svetlichny
2008-03-01
Full Text Available We argue that the variational calculus leading to Euler's equations and Noether's theorem can be replaced by equivariance and invariance conditions avoiding the action integral. We also speculate about the origin of Lagrangian theories in physics and their connection to Feynman's integral.
On inverse problem of calculus of variations
Energy Technology Data Exchange (ETDEWEB)
Tao, Z-L [College of Mathematics and Physics, Nanjing University of Information Science and Technology, Nanjing 210044 (China)], E-mail: zaolingt@nuist.edu.cn
2008-02-15
Using the semi-inverse method proposed by Ji-Huan He, variational principles are established for some nonlinear equations arising in physics, including the (p, 2p)-mZK equation, Klein-Gordon equation, sine-Gordon equation, Liouville equation, Dodd- Bullough-Mikhailov equation, and Tzitzeica-Dodd-Bullough equation.
Neighborhood Disadvantage and Variations in Blood Pressure
Cathorall, Michelle L.; Xin, Huaibo; Peachey, Andrew; Bibeau, Daniel L.; Schulz, Mark; Aronson, Robert
2015-01-01
Purpose: To examine the extent to which neighborhood disadvantage accounts for variation in blood pressure. Methods: Demographic, biometric, and self-reported data from 19,261 health screenings were used. Addresses of participants were geocoded and located within census block groups (n = 14,510, 75.3%). Three hierarchical linear models were…
Causes for variation in pork quality
Wal, van der P.; Engel, B.; Hulsegge, B.
1997-01-01
Research was carried out on 260 pigs that were slaughtered in 12 batches in the slaughter facilities of ID-DLO at Zeist. The practical circumstances were highly standardized. The 'animals' meat quality was good with only little variation; 46 animals showed a 'slightly' aberrant quality and 6
Seasonal variation of heat consumption in greenhouses
DEFF Research Database (Denmark)
Nielsen, O.F.; Amsen, M.G.; Strøm, J.S.
The concept of dynamic variation is introduced as a method to visualize the dynamic fluctuations of heat consumption and thermal climate in greenhouses. The feasibility of the concept is illustrated by describing effects of different greenhouse designs. Engineering data on design heat consumption...
Landscape runoff, precipitation variation and reservoir limnology
Geraldes, Ana Maria
2010-01-01
Landscape runoff potential impact on reservoir limnology was indirectly evaluated by assessing the effect of precipitation variation on several water quality parameters, on Anabaena (Cyanophyta) and crustacean zooplankton abundances. The obtained results showed that total phosphorus increased with strong precipitation events whereas water transparency presented an opposite trend. Wet periods followed by long dry periods favored Anabaena dominance, which induced a...
A global reference for human genetic variation
DEFF Research Database (Denmark)
Auton, Adam; Abecasis, Goncalo R.; M. Altshuler, David
2015-01-01
The 1000 Genomes Project set out to provide a comprehensive description of common human genetic variation by applying whole-genome sequencing to a diverse set of individuals from multiple populations. Here we report completion of the project, having reconstructed the genomes of 2,504 individuals ...
Periodic and recurrent variations of cosmic rays
International Nuclear Information System (INIS)
Somogyi, A.J.
1981-12-01
The new results achieved in the field of periodic and recurrent variations of the intensity of 10 9 to 10 13 eV cosmic rays are reviewed. Particular emphasis is given to developments in understanding the fluctuations of corotation-type anisotropies as well as to the structure of the heliosphere and its temporal changes. (author)
Biological variation of thyroid autoantibodies and thyroglobulin
DEFF Research Database (Denmark)
Jensen, Esther; Petersen, Per Hyltoft; Blaabjerg, Ole
2007-01-01
BACKGROUND: It has been shown that the level of serum thyroid antibodies affects serum thyrotropin (TSH) concentrations in men and women, and that these autoantibodies in combination with serum TSH are predictive of future thyroid disease. As the biological variation of these autoantibodies.......5-258 kIU/L), the CV biological was 11.3%, while the CV analytical was 10.6%. For TgAb (5.6 to 148 kIU/L) CV biological was 8.5% and CV analytical was 9.0%. The woman with TRAb had a CV biological of 4.8%, while the analytical variation in duplicates was 3.9% at a level of 2.8 IU/L. CONCLUSIONS......: It is possible to measure TPOAb and TgAb in all samples with the AutoDELFIA. There is no systematic variation in autoantibodies during the menstrual cycle. The biological coefficient of variation for TPOAb and TgAb was 11.3% and 8.5%, respectively...
Geomagnetic Core Field Secular Variation Models
DEFF Research Database (Denmark)
Gillet, N.; Lesur, V.; Olsen, Nils
2010-01-01
highlight the difficulty of resolving the time variability of the high degree secular variation coefficients (i.e. the secular acceleration), arising for instance from the challenge to properly separate sources of internal and of external origin. In addition, the regularisation process may also result...
Genetic variations in multiple myeloma II
DEFF Research Database (Denmark)
Vangsted, A.; Klausen, T.W.; Vogel, U.
2012-01-01
Association studies on genetic variation to treatment effect may serve as a predictive marker for effect of treatment and can also uncover biological pathways behind drug effect. Single-nucleotide polymorphisms (SNPs) have been studied in relation to high-dose treatment (HDT), thalidomide- and bo...
On minimizers of causal variational principles
International Nuclear Information System (INIS)
Schiefeneder, Daniela
2011-01-01
Causal variational principles are a class of nonlinear minimization problems which arise in a formulation of relativistic quantum theory referred to as the fermionic projector approach. This thesis is devoted to a numerical and analytic study of the minimizers of a general class of causal variational principles. We begin with a numerical investigation of variational principles for the fermionic projector in discrete space-time. It is shown that for sufficiently many space-time points, the minimizing fermionic projector induces non-trivial causal relations on the space-time points. We then generalize the setting by introducing a class of causal variational principles for measures on a compact manifold. In our main result we prove under general assumptions that the support of a minimizing measure is either completely timelike, or it is singular in the sense that its interior is empty. In the examples of the circle, the sphere and certain flag manifolds, the general results are supplemented by a more detailed analysis of the minimizers. (orig.)
Quadrature representation of finite element variational forms
DEFF Research Database (Denmark)
Ølgaard, Kristian Breum; Wells, Garth N.
2012-01-01
This chapter addresses the conventional run-time quadrature approach for the numerical integration of local element tensors associated with finite element variational forms, and in particular automated optimizations that can be performed to reduce the number of floating point operations...
Cultural variations in emotion: A review.
Mesquita, B.; Frijda, N.H.
1992-01-01
The psychological and anthropological literature on cultural variations in emotions is reviewed. The literature has been interpreted within the framework of a cognitive-process model of emotions. Both cross-cultural differences and similarities were identified in each phase of the emotion process;
Variation and Commonality in Phenomenographic Research Methods
Akerlind, Gerlese S.
2012-01-01
This paper focuses on the data analysis stage of phenomenographic research, elucidating what is involved in terms of both commonality and variation in accepted practice. The analysis stage of phenomenographic research is often not well understood. This paper helps to clarify the process, initially by collecting together in one location the more…
Seasonal variations of indoor radon concentrations
International Nuclear Information System (INIS)
Majborn, B.
1990-01-01
Seasonal variations of indoor radon concentrations have been studied in a cluster of 10 single-family houses. Eight of the houses are of a similar construction with slab-on-grade foundations. The remaining two houses have different substructures, one of them having a crawl space, and the other having partly a basement and partly a crawl space. A 'normal' seasonal variation of the radon concentration with a maximum in winter and a minimum in summer was observed in most of the houses. In these houses the variation showed a strong correlation with the indoor-outdoor temperature difference on a 2-month basis. However, deviating seasonal variations were observed in some of the houses, notably in the two houses having different substructures. This paper reports that a re-examination of the data obtained in a previous study indicates that winter/summer ratios of indoor radon concentrations in Danish houses depend on the house substructure. The mean winter/summer ratios were about 2.1 for houses with slab-on-grade foundations, 1.5 for houses having a basement, and 1.0 for houses with a crawl space (geometric mean values). However, a study with more houses in each substructure category will be needed to show whether or not the indicated differences are generally valid for Danish houses
Partial differential equations and calculus of variations
Leis, Rolf
1988-01-01
This volume contains 18 invited papers by members and guests of the former Sonderforschungsbereich in Bonn (SFB 72) who, over the years, collaborated on the research group "Solution of PDE's and Calculus of Variations". The emphasis is on existence and regularity results, on special equations of mathematical physics and on scattering theory.
Characterization of Genetic Variation in Icelandic Cattle
DEFF Research Database (Denmark)
Holm, Lars-Erik; Das, Ashutosh; Momeni, Jamal
Identification of genetic variation in cattle breeds using next-generation sequencing technology has focused on the modern production cattle breeds. We focused on one of the oldest indigenous breeds, the Icelandic cattle breed. Sequencing of two individuals enabled identification of more than 8...
Regional variation in electroconvulsive therapy use.
LENUS (Irish Health Repository)
Dunne, R
2011-03-01
Although electroconvulsive therapy (ECT) is the most powerful treatment for depression, substantial variability in use has been described in Ireland. The Mental Health Commission collects usage data from approved centres but does not include home addresses or independent sector patients. Therefore, estimates of regional variation cannot be accurate, e.g. 145 (35% of total) independent sector patients were omitted from their 2008 analysis. When public and independent sector patients are combined inter-regional variation for 2008 is more than halved (chi-squared decreased from 83 to 30), with Western region contributing most to variation (chi-squared = 43). Ratio of ECT programmes to depressed admissions correlated negatively with rate for depressed admissions (r = -0.53, p = 0.01), while depressed admission numbers correlated with acute beds per area (r = 0.68, p = 0.001). Regional variation in ECT is less than previously reported; service factors probably account for much of this with smaller centres admitting severely ill patients more likely to require ECT.
Genetic variation of contact dermatitis in broilers
DEFF Research Database (Denmark)
Ask, Birgitte
2010-01-01
This study aimed to investigate the presence of genetic variation in footpad dermatitis (FPD) and hock burns (HB) and the possibility to genetically select against these. A field trial including 10 commercial broiler lines (n = 102 to 265) was carried out at 2 Dutch farms. Footpad dermatitis and HB...
Eliminating Unpredictable Variation through Iterated Learning
Smith, Kenny; Wonnacott, Elizabeth
2010-01-01
Human languages may be shaped not only by the (individual psychological) processes of language acquisition, but also by population-level processes arising from repeated language learning and use. One prevalent feature of natural languages is that they avoid unpredictable variation. The current work explores whether linguistic predictability might…
The variational celular method - the code implantation
International Nuclear Information System (INIS)
Rosato, A.; Lima, M.A.P.
1980-12-01
The process to determine the potential energy curve for diatomic molecules by the Variational Cellular Method is discussed. An analysis of the determination of the electronic eigenenergies and the electrostatic energy of these molecules is made. An explanation of the input data and their meaning is also presented. (Author) [pt
Characterization and intraspecific variation of Fusarium semitectum ...
African Journals Online (AJOL)
A total of 79 isolates of Fusarium semitectum were characterized by morphological and IGS-RFLP analysis to assess its intraspecific variation. Based on morphological characteristics, the isolates of F. semitectum were classified into 2 distinct groups, morphotypes I and II. Morphotype I was characterized by longer ...
Optimal control and the calculus of variations
Pinch, Enid R
1993-01-01
This introduction to optimal control theory is intended for undergraduate mathematicians and for engineers and scientists with some knowledge of classical analysis. It includes sections on classical optimization and the calculus of variations. All the important theorems are carefully proved. There are many worked examples and exercises for the reader to attempt.
Fundamental quadratic variational principle underlying general relativity
International Nuclear Information System (INIS)
Atkins, W.K.
1983-01-01
The fundamental result of Lanczos is used in a new type of quadratic variational principle whose field equations are the Einstein field equations together with the Yang-Mills type equations for the Riemann curvature. Additionally, a spin-2 theory of gravity for the special case of the Einstein vacuum is discussed
Variational approach to chiral quark models
Energy Technology Data Exchange (ETDEWEB)
Futami, Yasuhiko; Odajima, Yasuhiko; Suzuki, Akira
1987-03-01
A variational approach is applied to a chiral quark model to test the validity of the perturbative treatment of the pion-quark interaction based on the chiral symmetry principle. It is indispensably related to the chiral symmetry breaking radius if the pion-quark interaction can be regarded as a perturbation.
A variational approach to chiral quark models
International Nuclear Information System (INIS)
Futami, Yasuhiko; Odajima, Yasuhiko; Suzuki, Akira.
1987-01-01
A variational approach is applied to a chiral quark model to test the validity of the perturbative treatment of the pion-quark interaction based on the chiral symmetry principle. It is indispensably related to the chiral symmetry breaking radius if the pion-quark interaction can be regarded as a perturbation. (author)
Variational method for lattice spectroscopy with ghosts
International Nuclear Information System (INIS)
Burch, Tommy; Hagen, Christian; Gattringer, Christof; Glozman, Leonid Ya.; Lang, C.B.
2006-01-01
We discuss the variational method used in lattice spectroscopy calculations. In particular we address the role of ghost contributions which appear in quenched or partially quenched simulations and have a nonstandard euclidean time dependence. We show that the ghosts can be separated from the physical states. Our result is illustrated with numerical data for the scalar meson
Variational principles for nonlinear piezoelectric materials
Energy Technology Data Exchange (ETDEWEB)
Rodriguez-Ramos, R.; Guinovart-Diaz, R. [Universidad de la Habana, Facultad de Matematica y Computacion, Vedado, Habana (Cuba); Pobedria, B.E. [Moscow State University M. V. Lomonosov, Composites Department, Moscow (Russian Federation); Padilla, P. [Universidad Nacional Autonoma de Mexico, Instituto de Investigaciones en Matematicas Aplicadas y en Sistemas (IIMAS), Cd. Universitaria, Mexico D.F. (Mexico); Bravo-Castillero, J. [Universidad de la Habana, Facultad de Matematica y Computacion, Vedado, Habana (Cuba); Campus Estado de Mexico. Division de Arquitectura e Ingenieria, Instituto Tecnologico de Estudios Superiores de Monterrey, Atizapan de Zaragoza, Estado de Mexico (Mexico); Maugin, G.A. [Universite Pierre et Marie Curie. Case 162, UMR 7607 CNRS, Laboratoire de Modelisation en Mecanique, Paris Cedex 05 (France)
2004-12-01
In the present paper, we consider the behavior of nonlinear piezoelectric materials by generalization for this case of the Hashin-Shtrikman variational principles. The new general formulation used here differs from others, because, it gives the possibility to evaluate the upper and lower Hashin-Shtrikman bounds for specific physical nonlinearities of piezoelectric materials. Geometrical nonlinearities are not considered. (orig.)
from synchronic variation to a grammaticalization path
African Journals Online (AJOL)
Kate H
Abstract. The authors argue that the synchronic variation of cognate objects of weather verbs exhibited in six African languages of South Africa (Sepedi, Sesotho, Tshivenda, isiXhosa, Xitsonga, and. isiZulu) has a diachronic explanation, and may be represented as a grammaticalization path. This path gradually leads from ...
Tensors, differential forms, and variational principles
Lovelock, David
1989-01-01
Incisive, self-contained account of tensor analysis and the calculus of exterior differential forms, interaction between the concept of invariance and the calculus of variations. Emphasis is on analytical techniques, with large number of problems, from routine manipulative exercises to technically difficult assignments.
Sources of Variation in Creep Testing
Loewenthal, William S.; Ellis, David L.
2011-01-01
Creep rupture is an important material characteristic for the design of rocket engines. It was observed during the characterization of GRCop-84 that the complete data set had nearly 4 orders of magnitude of scatter. This scatter likely confounded attempts to determine how creep performance was influenced by manufacturing. It was unclear if this variation was from the testing, the material, or both. Sources of variation were examined by conducting tests on identically processed specimens at the same specified stresses and temperatures. Significant differences existed between the five constant-load creep frames. The specimen temperature was higher than the desired temperature by as much as 43 C. It was also observed that the temperature gradient was up to 44 C. Improved specimen temperature control minimized temperature variations. The data from additional tests demonstrated that the results from all five frames were comparable. The variation decreased to 1/2 order of magnitude from 2 orders of magnitude for the baseline data set. Independent determination of creep rates in a reference load frame closely matched the creep rates determined after the modifications. Testing in helium tended to decrease the sample temperature gradient, but helium was not a significant improvement over vacuum.
Solar cycle variations in mesospheric carbon monoxide
Lee, Jae N.; Wu, Dong L.; Ruzmaikin, Alexander; Fontenla, Juan
2018-05-01
As an extension of Lee et al. (2013), solar cycle variation of carbon monoxide (CO) is analyzed with MLS observation, which covers more than thirteen years (2004-2017) including maximum of solar cycle 24. Being produced primarily by the carbon dioxide (CO2) photolysis in the lower thermosphere, the variations of the mesospheric CO concentration are largely driven by the solar cycle modulated ultraviolet (UV) variation. This solar signal extends down to the lower altitudes by the dynamical descent in the winter polar vortex, showing a time lag that is consistent with the average descent velocity. To characterize a global distribution of the solar impact, MLS CO is correlated with the SORCE measured total solar irradiance (TSI) and UV. As high as 0.8 in most of the polar mesosphere, the linear correlation coefficients between CO and UV/TSI are more robust than those found in the previous work. The photochemical contribution explains most (68%) of the total variance of CO while the dynamical contribution accounts for 21% of the total variance at upper mesosphere. The photochemistry driven CO anomaly signal is extended in the tropics by vertical mixing. The solar cycle signal in CO is further examined with the Whole Atmosphere Community Climate Model (WACCM) 3.5 simulation by implementing two different modeled Spectral Solar Irradiances (SSIs): SRPM 2012 and NRLSSI. The model simulations underestimate the mean CO amount and solar cycle variations of CO, by a factor of 3, compared to those obtained from MLS observation. Different inputs of the solar spectrum have small impacts on CO variation.
Pluck or Luck: Does Trait Variation or Chance Drive Variation in Lifetime Reproductive Success?
Snyder, Robin E; Ellner, Stephen P
2018-04-01
While there has been extensive interest in how intraspecific trait variation affects ecological processes, outcomes are highly variable even when individuals are identical: some are lucky, while others are not. Trait variation is therefore important only if it adds substantially to the variability produced by luck. We ask when trait variation has a substantial effect on variability in lifetime reproductive success (LRS), using two approaches: (1) we partition the variation in LRS into contributions from luck and trait variation and (2) we ask what can be inferred about an individual's traits and with what certainty, given their observed LRS. In theoretical stage- and size-structured models and two empirical case studies, we find that luck usually dominates the variance of LRS. Even when individuals differ substantially in ways that affect expected LRS, unless the effects of luck are substantially reduced (e.g., low variability in reproductive life span or annual fecundity), most variance in lifetime outcomes is due to luck, implying that departures from "null" models omitting trait variation will be hard to detect. Luck also obscures the relationship between realized LRS and individual traits. While trait variation may influence the fate of populations, luck often governs the lives of individuals.
Anatomic variation and orgasm: Could variations in anatomy explain differences in orgasmic success?
Emhardt, E; Siegel, J; Hoffman, L
2016-07-01
Though the public consciousness is typically focused on factors such as psychology, penis size, and the presence of the "G-spot," there are other anatomical and neuro-anatomic differences that could play an equal, or more important, role in the frequency and intensity of orgasms. Discovering these variations could direct further medical or procedural management to improve sexual satisfaction. The aim of this study is to review the available literature of anatomical sexual variation and to explain why this variation may predispose some patients toward a particular sexual experience. In this review, we explored the available literature on sexual anatomy and neuro-anatomy. We used PubMed and OVID Medline for search terms, including orgasm, penile size variation, clitoral variation, Grafenberg spot, and benefits of orgasm. First we review the basic anatomy and innervation of the reproductive organs. Then we describe several anatomical variations that likely play a superior role to popular known variation (penis size, presence of g-spot, etc). For males, the delicate play between the parasympathetic and sympathetic nervous systems is vital to achieve orgasm. For females, the autonomic component is more complex. The clitoris is the primary anatomical feature for female orgasm, including its migration toward the anterior vaginal wall. In conclusions, orgasms are complex phenomena involving psychological, physiological, and anatomic variation. While these variations predispose people to certain sexual function, future research should explore how to surgically or medically alter these. Clin. Anat. 29:665-672, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.
Assessment of somaclonal variation for salinity tolerance in sweet ...
African Journals Online (AJOL)
Genetic variation is the source for plant breeding. Somaclonal variation is genetic variation induced during tissue culture and also during ordinary growth in vivo, and occurs rather, often in sweet potato. The aim of the present study was to evaluate the degree of somaclonal variation in regeneration via somatic ...
Bonito, Andrea; Pasciak, Joseph E.
2012-01-01
is captured well enough by the coarsest grid. The main argument hinges on a perturbation analysis from an auxiliary variational algorithm defined directly on the smooth surface. In addition, the vanishing mean value constraint is imposed on each level, thereby
Directory of Open Access Journals (Sweden)
Lu-Chuan Ceng
2014-01-01
Full Text Available We introduce and analyze a hybrid iterative algorithm by combining Korpelevich's extragradient method, the hybrid steepest-descent method, and the averaged mapping approach to the gradient-projection algorithm. It is proven that, under appropriate assumptions, the proposed algorithm converges strongly to a common element of the fixed point set of finitely many nonexpansive mappings, the solution set of a generalized mixed equilibrium problem (GMEP, the solution set of finitely many variational inclusions, and the solution set of a convex minimization problem (CMP, which is also a unique solution of a triple hierarchical variational inequality (THVI in a real Hilbert space. In addition, we also consider the application of the proposed algorithm to solving a hierarchical variational inequality problem with constraints of the GMEP, the CMP, and finitely many variational inclusions.
Geographical localisation of the geomagnetic secular variation
DEFF Research Database (Denmark)
Aubert, Julien; Finlay, Chris; Olsen, Nils
2013-01-01
the model and geomagnetic data previously processed in the same way. Our results suggest that conservation of angular momentum and heterogeneous thermochemical boundary control in the coupled inner core / outer core / mantle system are central to understanding how Earth’s magnetic field currently evolves......., westward moving, magnetic flux patches at the core surface. Despite its successes in explaining the main morphological properties of Earth’s magnetic field, self-consistent numerical modelling of the geodynamo has so far failed to reproduce this field variation pattern. Furthermore its magnetohydrodynamic...... control from either, or both, the inner-core boundary and the core-mantle boundary. In addition to presenting an Earth-like magnetic field morphology, these new numerical models also reproduce the morphology and localization of geomagnetic secular variation. In our models, the conservation of the angular...
Variational techniques in non-perturbative QCD
Kovner, Alex; Kovner, Alex
2004-01-01
We review attempts to apply the variational principle to understand the vacuum of non-abelian gauge theories. In particular, we focus on the method explored by Ian Kogan and collaborators, which imposes exact gauge invariance on the trial Gaussian wave functional prior to the minimization of energy. We describe the application of the method to a toy model -- confining compact QED in 2+1 dimensions -- where it works wonderfully and reproduces all known non-trivial results. We then follow its applications to pure Yang-Mills theory in 3+1 dimensions at zero and finite temperature. Among the results of the variational calculation are dynamical mass generation and the analytic description of the deconfinement phase transition.
Seasonal variations of equatorial spread-F
Directory of Open Access Journals (Sweden)
B. V. Krishna Murthy
Full Text Available The occurrence of spread-F at Trivandrum (8.5°N, 77°E, dip 0.5°N has been investigated on a seasonal basis in sunspot maximum and minimum years in terms of the growth rate of irregularities by the generalized collisional Rayleigh-Taylor (GRT instability mechanism which includes the gravitational and cross-field instability terms. The occurrence statistics of spread-F at Trivandrum have been obtained using quarter hourly ionograms. The nocturnal variations of the growth rate of irregularities by the GRT mechanism have been estimated for different seasons in sunspot maximum and minimum years at Trivandrum using h'F values and vertical drift velocities obtained from ionograms. It is found that the seasonal variation of spread-F occurrence at Trivandrum can, in general, be accounted for on the basis of the GRT mechanism.
Seasonal variations of equatorial spread-F
Directory of Open Access Journals (Sweden)
K. S. V. Subbarao
1994-01-01
Full Text Available The occurrence of spread-F at Trivandrum (8.5°N, 77°E, dip 0.5°N has been investigated on a seasonal basis in sunspot maximum and minimum years in terms of the growth rate of irregularities by the generalized collisional Rayleigh-Taylor (GRT instability mechanism which includes the gravitational and cross-field instability terms. The occurrence statistics of spread-F at Trivandrum have been obtained using quarter hourly ionograms. The nocturnal variations of the growth rate of irregularities by the GRT mechanism have been estimated for different seasons in sunspot maximum and minimum years at Trivandrum using h'F values and vertical drift velocities obtained from ionograms. It is found that the seasonal variation of spread-F occurrence at Trivandrum can, in general, be accounted for on the basis of the GRT mechanism.
The ultraviolet variations of iota Cas
Molnar, M. R.; Mallama, A. D.; Soskey, D. G.; Holm, A. V.
1976-01-01
The Ap variable star iota Cas was observed with the photometers on OAO-2 covering the spectral range 1430-4250 A. The ultraviolet light curves show a double wave with primary minimum and maximum at phase ? 0.00 and 0.35, respectively. Secondary minimum light is at phase ? 0.65 with secondary maximum at phase ? 0.85. The light curves longward of 3150 A vary in opposition to those shortward of this 'null region'. Ground-based coude spectra show that the Fe II and Cr II line strengths have a double-wave variation such that maximum strength occurs at minimum ultraviolet light. We suggest that the strong ultraviolet opacities due to photoionization and line blanketing by these metals may cause the observed photometric variations. We have also constructed an oblique-rotator model which shows iron and chromium lying in a great circle band rather than in circular spots.
Managing Cultural Variation in Software Process Improvement
DEFF Research Database (Denmark)
Kræmmergaard, Pernille; Müller, Sune Dueholm; Mathiassen, Lars
The scale and complexity of change in software process improvement (SPI) are considerable and managerial attention to organizational culture during SPI can therefore potentially contribute to successful outcomes. However, we know little about the impact of variations in organizational subculture...... on SPI initiatives. On this backdrop, we report from a large scale SPI project in a Danish high-tech company, Terma. Two of its business units - Integrated Systems (ISY) and Airborne Systems (ASY) - followed similar approaches over a two year period, but with quite different outcomes. While ISY reached...... CMMI level 2 as planned, ASY struggled to implement even modest improvements. To explain these differences, we analyzed the underlying organizational culture within ISY and ASY using two different methods for subculture assessment. The study demonstrates how variations in culture across software...
Diurnal variations of tritium uptake by plants
International Nuclear Information System (INIS)
Hettinger, M.; Diabate, S.; Strack, S.
1991-02-01
The influence of the diurnal cycle is important for the behaviour of environmental tritium in the vegetation. A mathematical model has been used to calculate the deposition of tritium in plants as a function of diurnal variations of climatic parameters. The necessary physiological parameters (relationship of net photosynthesis and growth) were derived from growth experiments for tomatoes and maize. In chamber experiments, tomato and maize plants were exposed to tritium with natural diurnal variations of the climatic conditions. Within the range of standard deviations the measured concentrations of tritium in tissue free water of tomatoes correspond well to the estimated values. Furthermore, the incorporation into non-exchangeable organically bound tritium (OBT nx) can be sufficiently modelled and explained. There are deviations from the estimated concentrations in some parts of maize leaves. (orig.) [de
Asymptotic Behaviour of Total Generalised Variation
Papafitsoros, Konstantinos; Valkonen, Tuomo
2015-01-01
© Springer International Publishing Switzerland 2015. The recently introduced second order total generalised variation functional TGV2 β,α has been a successful regulariser for image processing purposes. Its definition involves two positive parameters α and β whose values determine the amount and the quality of the regularisation. In this paper we report on the behaviour of TGV2 β,α in the cases where the parameters α, β as well as their ratio β/α becomes very large or very small. Among others, we prove that for sufficiently symmetric two dimensional data and large ratio β/α, TGV2 β,α regularisation coincides with total variation (TV) regularization
Daily variation characteristics at polar geomagnetic observatories
Lepidi, S.; Cafarella, L.; Pietrolungo, M.; Di Mauro, D.
2011-08-01
This paper is based on the statistical analysis of the diurnal variation as observed at six polar geomagnetic observatories, three in the Northern and three in the Southern hemisphere. Data are for 2006, a year of low geomagnetic activity. We compared the Italian observatory Mario Zucchelli Station (TNB; corrected geomagnetic latitude: 80.0°S), the French-Italian observatory Dome C (DMC; 88.9°S), the French observatory Dumont D'Urville (DRV; 80.4°S) and the three Canadian observatories, Resolute Bay (RES; 83.0°N), Cambridge Bay (CBB; 77.0°N) and Alert (ALE, 87.2°N). The aim of this work was to highlight analogies and differences in daily variation as observed at the different observatories during low geomagnetic activity year, also considering Interplanetary Magnetic Field conditions and geomagnetic indices.
Variational characterization of generalized Jacobi equations
International Nuclear Information System (INIS)
Casciaro, B.
1995-09-01
A Lagrangian depending on derivatives of the fields up to a generic order is considered, together with a series development around a given section. The problem of extremality and stability of action for this system is then addressed. Higher-order variations in the Lagrangian, the Euler-Lagrange equation, the expansion of the action, the D-invariant decomposition of the Lagrangian, the Jacobi equation, and a unified description of the Euler-Lag range and Jacobi equations are discussed. As a conclusion of the work it is stated that the theory of second variations is worthy to be revisited and a comment on a recent paper by Taub is made. 10 refs
Our Gods: Variation in Supernatural Minds
Purzycki, Benjamin G.; Sosis, Richard
In this chapter we examine variation in the contents of supernatural minds across cultures and the social correlates of this variation. We first provide a sketch of how humans are capable of representing supernatural minds and emphasize the significance of the types of knowledge attributed to supernatural agents. We then argue that the contents of supernatural minds as represented cross-culturally will primarily rest on or between two poles: knowledge of people's moral behavior and knowledge of people's ritualized costly behavior. Communities which endorse omniscient supernatural agents that are highly concerned with moral behavior will emphasize the importance of shared beliefs (cultural consensus), whereas communities which possess supernatural agents with limited social knowledge who are concerned with ritual actions will emphasize shared behavioral patterns (social consensus).We conclude with a brief discussion about the contexts in which these patterns occur.
Multiple integrals in the calculus of variations
Morrey, Charles B
1966-01-01
From the reviews: "…the book contains a wealth of material essential to the researcher concerned with multiple integral variational problems and with elliptic partial differential equations. The book not only reports the researches of the author but also the contributions of his contemporaries in the same and related fields. The book undoubtedly will become a standard reference for researchers in these areas. …The book is addressed mainly to mature mathematical analysts. However, any student of analysis will be greatly rewarded by a careful study of this book." M. R. Hestenes in Journal of Optimization Theory and Applications "The work intertwines in masterly fashion results of classical analysis, topology, and the theory of manifolds and thus presents a comprehensive treatise of the theory of multiple integral variational problems." L. Schmetterer in Monatshefte für Mathematik "The book is very clearly exposed and contains the last modern theory in this domain. A comprehensive bibliography ends the book...
Pulse pressure and diurnal blood pressure variation
DEFF Research Database (Denmark)
Knudsen, Søren Tang; Poulsen, Per Løgstrup; Hansen, Klavs Würgler
2002-01-01
retinopathy, nephropathy, macrovascular disease, PP, and diurnal BP variation in a group of type 2 diabetic patients. METHODS: In 80 type 2 diabetic patients we performed 24-h ambulatory BP (AMBP) and fundus photographs. Urinary albumin excretion was evaluated by urinary albumin/creatinine ratio. Presence...... or absence of macrovascular disease was assessed by an independent physician. RESULTS: Forty-nine patients had no detectable retinal changes (grade 1), 13 had grade 2 retinopathy, and 18 had more advanced retinopathy (grades 3-6). Compared to patients without retinopathy (grade 1), patients with grades 2......BACKGROUND: In nondiabetic subjects pulse pressure (PP) is an independent predictor of cardiovascular disease and microalbuminuria. Reduced circadian blood pressure (BP) variation is a potential risk factor for the development of diabetic complications. We investigated the association between...
Natural climate variations in a geological perspective
International Nuclear Information System (INIS)
Mikkelsen, N.; Kuijpers, A.
2001-01-01
The climate is constantly changing, and it has been changing throughout the geological history of the Earth. These natural changes have shown a variability with frequencies from millions of years to just a few hundreds or tens of years. Some of the variations have been rather dramatic - shifting from globally uniform and hot climates to regular ice ages - whereas other changes have been less spectacular. All natural climate variations have an impact on the physical and biological systems of the Earth - and on mankind and culture during the last hundred thousand years. In this chapter we shall discuss the natural climate changes that has taken place during the geological history of the Earth and comment on the impact of these changes on the cultural evolution of mankind with special emphasis on Greenland. (LN)
A search for transit timing variation
Directory of Open Access Journals (Sweden)
Kramm U.
2011-02-01
Full Text Available Photometric follow-ups of transiting exoplanets (TEPs may lead to discoveries of additional, less massive bodies in extrasolar systems. This is possible by detecting and then analysing variations in transit timing of transiting exoplanets. In 2009 we launched an international observing campaign, the aim of which is to detect and characterise signals of transit timing variation (TTV in selected TEPs. The programme is realised by collecting data from 0.6-2.2-m telescopes spread worldwide at diﬀerent longitudes. We present our observing strategy and summarise ﬁrst results for WASP-3b with evidence for a 15 Earth-mass perturber in an outer 2:1 orbital resonance.
Seasonal variations of volcanic eruption frequencies
Stothers, Richard B.
1989-01-01
Do volcanic eruptions have a tendency to occur more frequently in the months of May and June? Some past evidence suggests that they do. The present study, based on the new eruption catalog of Simkin et al.(1981), investigates the monthly statistics of the largest eruptions, grouped according to explosive magnitude, geographical latitude, and year. At the 2-delta level, no month-to-month variations in eruption frequency are found to be statistically significant. Examination of previously published month-to-month variations suggests that they, too, are not statistically significant. It is concluded that volcanism, at least averaged over large portions of the globe, is probably not periodic on a seasonal or annual time scale.
Variations in the magnetopause current layer
Laakso, H. E.; Middleton, H. R.
2017-12-01
We use multi-point observations from the Cluster spacecraft to investigate the variations in the magnetopause current layer. With help of the curlometer technique one can determine the magnetopause current and its variability. Most of the time the magnetopause location is moving back and forth, so during any given pass the current layer is crossed several times. We use such crossings to investigate the characteristics of the current layer as the solar wind pressure varies (and the magnetopause moves accordingly). In addition we take an advantage of the ambient electron measurements from the EDI experiment which have been calibrated against the PEACE electron spectrometer data. These data can be used to detect fast variations of 1 keV electrons at resolution of 1-100 ms. Overall, Cluster observations are highly complimentary to the MMS observations due to the polar orbit of the Cluster spacecraft which provide fast vertical profiles of the magnetopause current layer.
Copy number variation in the bovine genome
DEFF Research Database (Denmark)
Fadista, João; Thomsen, Bo; Holm, Lars-Erik
2010-01-01
to genetic variation in cattle. Results We designed and used a set of NimbleGen CGH arrays that tile across the assayable portion of the cattle genome with approximately 6.3 million probes, at a median probe spacing of 301 bp. This study reports the highest resolution map of copy number variation...... in the cattle genome, with 304 CNV regions (CNVRs) being identified among the genomes of 20 bovine samples from 4 dairy and beef breeds. The CNVRs identified covered 0.68% (22 Mb) of the genome, and ranged in size from 1.7 to 2,031 kb (median size 16.7 kb). About 20% of the CNVs co-localized with segmental...... duplications, while 30% encompass genes, of which the majority is involved in environmental response. About 10% of the human orthologous of these genes are associated with human disease susceptibility and, hence, may have important phenotypic consequences. Conclusions Together, this analysis provides a useful...
Progress in classical and quantum variational principles
International Nuclear Information System (INIS)
Gray, C G; Karl, G; Novikov, V A
2004-01-01
We review the development and practical uses of a generalized Maupertuis least action principle in classical mechanics in which the action is varied under the constraint of fixed mean energy for the trial trajectory. The original Maupertuis (Euler-Lagrange) principle constrains the energy at every point along the trajectory. The generalized Maupertuis principle is equivalent to Hamilton's principle. Reciprocal principles are also derived for both the generalized Maupertuis and the Hamilton principles. The reciprocal Maupertuis principle is the classical limit of Schroedinger's variational principle of wave mechanics and is also very useful to solve practical problems in both classical and semiclassical mechanics, in complete analogy with the quantum Rayleigh-Ritz method. Classical, semiclassical and quantum variational calculations are carried out for a number of systems, and the results are compared. Pedagogical as well as research problems are used as examples, which include nonconservative as well as relativistic systems. '... the most beautiful and important discovery of Mechanics.' Lagrange to Maupertuis (November 1756)
Fireman Dither – Variate Ilona [Partitura
Directory of Open Access Journals (Sweden)
Ivan Eiji Simurra
2014-07-01
Full Text Available Trata-se do memorial descritivo dos procedimentos metodológicos e composicionais utilizados na elaboração da obra Fireman Dither – Variate Ilona (2011 – 2013, para orquestra sinfônica. A estreia da obra foi realizada pela Orquestra Sinfônica da UNICAMP (OSU, sob a regência de Cinthia Alireti, em 2013. Apresenta-se uma metodologia de planejamento orquestral, na qual utilizou-se o ambiente virtual de assistência à orquestração Orchidée. Tal ferramenta forneceu importantes subsídios técnicos e conceituais tanto para a estrutura formal da obra quanto para a geração de material composicional, implementadas em Fireman Dither – Variate Ilona.
Modeling response variation for radiometric calorimeters
International Nuclear Information System (INIS)
Mayer, R.L. II.
1986-01-01
Radiometric calorimeters are widely used in the DOE complex for accountability measurements of plutonium and tritium. Proper characterization of response variation for these instruments is, therefore, vital for accurate assessment of measurement control as well as for propagation of error calculations. This is not difficult for instruments used to measure items within a narrow range of power values; however, when a single instrument is used to measure items over a wide range of power values, improper estimates of uncertainty can result since traditional error models for radiometric calorimeters assume that uncertainty is not a function of sample power. This paper describes methods which can be used to accurately estimate random response variation for calorimeters used to measure items over a wide range of sample powers. The model is applicable to the two most common modes of calorimeter operation: heater replacement and servo control. 5 refs., 4 figs., 1 tab
Genetic variation in WRN and ischemic stroke
DEFF Research Database (Denmark)
Christoffersen, Mette; Frikke-Schmidt, Ruth; Nordestgaard, Børge G.
2017-01-01
trends for ischemic cerebrovascular disease (P = 0.06). In meta-analyses including 59,190 individuals in 5 studies, the hazard ratio for ischemic stroke for C1367R TT homozygotes versus CC/CT was 1.14 (1.04–1.25; P = 0.008). Conclusions This study suggests that common genetic variation in WRN......Background Werner syndrome, a premature genetic aging syndrome, shares many clinical features reminiscent of normal physiological aging, and ischemic vascular disease is a frequent cause of death. We tested the hypothesis that genetic variation in the WRN gene was associated with risk of ischemic...... vascular disease in the general population. Methods We included 58,284 participants from two general population cohorts, the Copenhagen City Heart Study (CCHS) and the Copenhagen General Population Study (CGPS). Of these, 6,312 developed ischemic vascular disease during follow-up. In the CCHS (n = 10...
A variational calculation for the charmonium
International Nuclear Information System (INIS)
Portilho, O.; Shokranian, Z.M.O.
1984-01-01
The non-relativistic approximation for the cc sub(-) system is considered in order to study the J/PSI family spectrum and some other properties of these resonances such as hadronic, leptonic, and electric dipole transition widths. The potential used is phenomenological, with a spin dependent part, of the types square root and linear. The Schrodinger equation is solved with the variational method where the configuration space is spanned by a set of harmonic oscillator wave functions. (Author) [pt
Cultural Variation in Implicit Mental Illness Stigma
Cheon, Bobby K.; Chiao, Joan Y.
2012-01-01
Culture shapes how individuals perceive and respond to others with mental illness. Prior studies have suggested that Asians and Asian Americans typically endorse greater stigma of mental illness compared to Westerners (White Europeans and Americans). However, whether these differences in stigma arise from cultural variations in automatic affective reactions or deliberative concerns of the appropriateness of one’s reactions to mental illness remains unknown. Here we compared implicit and expli...
Optimal Control of Evolution Mixed Variational Inclusions
Energy Technology Data Exchange (ETDEWEB)
Alduncin, Gonzalo, E-mail: alduncin@geofisica.unam.mx [Universidad Nacional Autónoma de México, Departamento de Recursos Naturales, Instituto de Geofísica (Mexico)
2013-12-15
Optimal control problems of primal and dual evolution mixed variational inclusions, in reflexive Banach spaces, are studied. The solvability analysis of the mixed state systems is established via duality principles. The optimality analysis is performed in terms of perturbation conjugate duality methods, and proximation penalty-duality algorithms to mixed optimality conditions are further presented. Applications to nonlinear diffusion constrained problems as well as quasistatic elastoviscoplastic bilateral contact problems exemplify the theory.
Variation in aerodynamic coefficients with altitude
Directory of Open Access Journals (Sweden)
Faiza Shahid
Full Text Available Precise aerodynamics performance prediction plays key role for a flying vehicle to get its mission completed within desired accuracy. Aerodynamic coefficients for same Mach number can be different at different altitude due to difference in Reynolds number. Prediction of these aerodynamics coefficients can be made through experiments, analytical solution or Computational Fluid Dynamics (CFD. Advancements in computational power have generated the concept of using CFD as a virtual Wind Tunnel (WT, hence aerodynamic performance prediction in present study is based upon CFD (numerical test rig. Simulations at different altitudes for a range of Mach numbers with zero angle of attack are performed to predict axial force coefficient behavior with altitude (Reynolds number. Similar simulations for a fixed Mach number â3â and a range of angle of attacks are also carried out to envisage the variation in normal force and pitching moment coefficients with altitude (Reynolds number. Results clearly depict that the axial force coefficient is a function of altitude (Reynolds number and increase as altitude increases, especially for subsonic region. Variation in axial force coefficient with altitude (Reynolds number slightly increases for larger values of angle of attacks. Normal force and pitching moment coefficients do not depend on altitude (Reynolds number at smaller values of angle of attacks but show slight decrease as altitude increases. Present study suggests that variation of normal force and pitching moment coefficients with altitude can be neglected but the variation of axial force coefficient with altitude should be considered for vehicle fly in dense atmosphere. It is recommended to continue this study to more complex configurations for various Mach numbers with side slip and real gas effects. Keywords: Mach number, Reynolds number, Blunt body, Altitude effect, Angle of attacks
Variation in aerodynamic coefficients with altitude
Shahid, Faiza; Hussain, Mukkarum; Baig, Mirza Mehmood; Haq, Ihtram ul
Precise aerodynamics performance prediction plays key role for a flying vehicle to get its mission completed within desired accuracy. Aerodynamic coefficients for same Mach number can be different at different altitude due to difference in Reynolds number. Prediction of these aerodynamics coefficients can be made through experiments, analytical solution or Computational Fluid Dynamics (CFD). Advancements in computational power have generated the concept of using CFD as a virtual Wind Tunnel (WT), hence aerodynamic performance prediction in present study is based upon CFD (numerical test rig). Simulations at different altitudes for a range of Mach numbers with zero angle of attack are performed to predict axial force coefficient behavior with altitude (Reynolds number). Similar simulations for a fixed Mach number '3' and a range of angle of attacks are also carried out to envisage the variation in normal force and pitching moment coefficients with altitude (Reynolds number). Results clearly depict that the axial force coefficient is a function of altitude (Reynolds number) and increase as altitude increases, especially for subsonic region. Variation in axial force coefficient with altitude (Reynolds number) slightly increases for larger values of angle of attacks. Normal force and pitching moment coefficients do not depend on altitude (Reynolds number) at smaller values of angle of attacks but show slight decrease as altitude increases. Present study suggests that variation of normal force and pitching moment coefficients with altitude can be neglected but the variation of axial force coefficient with altitude should be considered for vehicle fly in dense atmosphere. It is recommended to continue this study to more complex configurations for various Mach numbers with side slip and real gas effects.
Optimal Control of Evolution Mixed Variational Inclusions
International Nuclear Information System (INIS)
Alduncin, Gonzalo
2013-01-01
Optimal control problems of primal and dual evolution mixed variational inclusions, in reflexive Banach spaces, are studied. The solvability analysis of the mixed state systems is established via duality principles. The optimality analysis is performed in terms of perturbation conjugate duality methods, and proximation penalty-duality algorithms to mixed optimality conditions are further presented. Applications to nonlinear diffusion constrained problems as well as quasistatic elastoviscoplastic bilateral contact problems exemplify the theory