Thermodynamically self-consistent theory for the Blume-Capel model.

Science.gov (United States)

Grollau, S; Kierlik, E; Rosinberg, M L; Tarjus, G

2001-04-01

We use a self-consistent Ornstein-Zernike approximation to study the Blume-Capel ferromagnet on three-dimensional lattices. The correlation functions and the thermodynamics are obtained from the solution of two coupled partial differential equations. The theory provides a comprehensive and accurate description of the phase diagram in all regions, including the wing boundaries in a nonzero magnetic field. In particular, the coordinates of the tricritical point are in very good agreement with the best estimates from simulation or series expansion. Numerical and analytical analysis strongly suggest that the theory predicts a universal Ising-like critical behavior along the lambda line and the wing critical lines, and a tricritical behavior governed by mean-field exponents.

Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media.

Science.gov (United States)

Ma, Manman; Xu, Zhenli

2014-12-28

Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media

Energy Technology Data Exchange (ETDEWEB)

Ma, Manman, E-mail: mmm@sjtu.edu.cn; Xu, Zhenli, E-mail: xuzl@sjtu.edu.cn [Department of Mathematics, Institute of Natural Sciences, and MoE Key Laboratory of Scientific and Engineering Computing, Shanghai Jiao Tong University, Shanghai 200240 (China)

2014-12-28

Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

Self-consistency and coherent effects in nonlinear resonances

International Nuclear Information System (INIS)

Hofmann, I.; Franchetti, G.; Qiang, J.; Ryne, R. D.

2003-01-01

The influence of space charge on emittance growth is studied in simulations of a coasting beam exposed to a strong octupolar perturbation in an otherwise linear lattice, and under stationary parameters. We explore the importance of self-consistency by comparing results with a non-self-consistent model, where the space charge electric field is kept 'frozen-in' to its initial values. For Gaussian distribution functions we find that the 'frozen-in' model results in a good approximation of the self-consistent model, hence coherent response is practically absent and the emittance growth is self-limiting due to space charge de-tuning. For KV or waterbag distributions, instead, strong coherent response is found, which we explain in terms of absence of Landau damping

Self-consistent field theory based molecular dynamics with linear system-size scaling

Energy Technology Data Exchange (ETDEWEB)

Richters, Dorothee [Institute of Mathematics and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 9, D-55128 Mainz (Germany); Kühne, Thomas D., E-mail: kuehne@uni-mainz.de [Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 7, D-55128 Mainz (Germany); Technical and Macromolecular Chemistry, University of Paderborn, Warburger Str. 100, D-33098 Paderborn (Germany)

2014-04-07

We present an improved field-theoretic approach to the grand-canonical potential suitable for linear scaling molecular dynamics simulations using forces from self-consistent electronic structure calculations. It is based on an exact decomposition of the grand canonical potential for independent fermions and does neither rely on the ability to localize the orbitals nor that the Hamilton operator is well-conditioned. Hence, this scheme enables highly accurate all-electron linear scaling calculations even for metallic systems. The inherent energy drift of Born-Oppenheimer molecular dynamics simulations, arising from an incomplete convergence of the self-consistent field cycle, is circumvented by means of a properly modified Langevin equation. The predictive power of the present approach is illustrated using the example of liquid methane under extreme conditions.

Doubly self-consistent field theory of grafted polymers under simple shear in steady state

International Nuclear Information System (INIS)

Suo, Tongchuan; Whitmore, Mark D.

2014-01-01

We present a generalization of the numerical self-consistent mean-field theory of polymers to the case of grafted polymers under simple shear. The general theoretical framework is presented, and then applied to three different chain models: rods, Gaussian chains, and finitely extensible nonlinear elastic (FENE) chains. The approach is self-consistent at two levels. First, for any flow field, the polymer density profile and effective potential are calculated self-consistently in a manner similar to the usual self-consistent field theory of polymers, except that the calculation is inherently two-dimensional even for a laterally homogeneous system. Second, through the use of a modified Brinkman equation, the flow field and the polymer profile are made self-consistent with respect to each other. For all chain models, we find that reasonable levels of shear cause the chains to tilt, but it has very little effect on the overall thickness of the polymer layer, causing a small decrease for rods, and an increase of no more than a few percent for the Gaussian and FENE chains. Using the FENE model, we also probe the individual bond lengths, bond correlations, and bond angles along the chains, the effects of the shear on them, and the solvent and bonded stress profiles. We find that the approximations needed within the theory for the Brinkman equation affect the bonded stress, but none of the other quantities

Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations

DEFF Research Database (Denmark)

Norman, Patrick; Bishop, David M.; Jensen, Hans Jørgen Aa

2001-01-01

Computationally tractable expressions for the evaluation of the linear response function in the multiconfigurational self-consistent field approximation were derived and implemented. The finite lifetime of the electronically excited states was considered and the linear response function was shown...... to be convergent in the whole frequency region. This was achieved through the incorporation of phenomenological damping factors that lead to complex response function values....

Chimera states in Gaussian coupled map lattices

Science.gov (United States)

Li, Xiao-Wen; Bi, Ran; Sun, Yue-Xiang; Zhang, Shuo; Song, Qian-Qian

2018-04-01

We study chimera states in one-dimensional and two-dimensional Gaussian coupled map lattices through simulations and experiments. Similar to the case of global coupling oscillators, individual lattices can be regarded as being controlled by a common mean field. A space-dependent order parameter is derived from a self-consistency condition in order to represent the collective state.

The nuclear N-body problem and the effective interaction in self-consistent mean-field methods

International Nuclear Information System (INIS)

Duguet, Thomas

2002-01-01

This work deals with two aspects of mean-field type methods extensively used in low-energy nuclear structure. The first study is at the mean-field level. The link between the wave-function describing an even-even nucleus and the odd-even neighbor is revisited. To get a coherent description as a function of the pairing intensity in the system, the utility of the formalization of this link through a two steps process is demonstrated. This two-steps process allows to identify the role played by different channels of the force when a nucleon is added in the system. In particular, perturbative formula evaluating the contribution of time-odd components of the functional to the nucleon separation energy are derived for zero and realistic pairing intensities. Self-consistent calculations validate the developed scheme as well as the derived perturbative formula. This first study ends up with an extended analysis of the odd-even mass staggering in nuclei. The new scheme allows to identify the contribution to this observable coming from different channels of the force. The necessity of a better understanding of time-odd terms in order to decide which odd-even mass formulae extracts the pairing gap the most properly is identified. These terms being nowadays more or less out of control, extended studies are needed to make precise the fit of a pairing force through the comparison of theoretical and experimental odd-even mass differences. The second study deals with beyond mean-field methods taking care of the correlations associated with large amplitude oscillations in nuclei. Their effects are usually incorporated through the GCM or the projected mean-field method. We derive a perturbation theory motivating such variational calculations from a diagrammatic point of view for the first time. Resuming two-body correlations in the energy expansion, we obtain an effective interaction removing the hard-core problem in the context of configuration mixing calculations. Proceeding to a

Time-dependent restricted-active-space self-consistent-field theory for bosonic many-body systems

International Nuclear Information System (INIS)

Lévêque, Camille; Madsen, Lars Bojer

2017-01-01

We develop an ab initio time-dependent wavefunction based theory for the description of a many-body system of cold interacting bosons. Like the multi-configurational time-dependent Hartree method for bosons (MCTDHB), the theory is based on a configurational interaction Ansatz for the many-body wavefunction with time-dependent self-consistent-field orbitals. The theory generalizes the MCTDHB method by incorporating restrictions on the active space of the orbital excitations. The restrictions are specified based on the physical situation at hand. The equations of motion of this time-dependent restricted-active-space self-consistent-field (TD-RASSCF) theory are derived. The similarity between the formal development of the theory for bosons and fermions is discussed. The restrictions on the active space allow the theory to be evaluated under conditions where other wavefunction based methods due to exponential scaling in the numerical effort cannot, and to clearly identify the excitations that are important for an accurate description, significantly beyond the mean-field approach. For ground state calculations we find it to be important to allow a few particles to have the freedom to move in many orbitals, an insight facilitated by the flexibility of the restricted-active-space Ansatz . Moreover, we find that a high accuracy can be obtained by including only even excitations in the many-body self-consistent-field wavefunction. Time-dependent simulations of harmonically trapped bosons subject to a quenching of their noncontact interaction, show failure of the mean-field Gross-Pitaevskii approach within a fraction of a harmonic oscillation period. The TD-RASSCF theory remains accurate at much reduced computational cost compared to the MCTDHB method. Exploring the effect of changes of the restricted-active-space allows us to identify that even self-consistent-field excitations are mainly responsible for the accuracy of the method. (paper)

Self-consistent mean field forces in turbulent plasmas: Current and momentum relaxation

International Nuclear Information System (INIS)

Hegna, C.C.

1997-08-01

The properties of turbulent plasmas are described using the two-fluid equations. Under some modest assumptions, global constraints for the turbulent mean field forces that act on the ion and electron fluids are derived. These constraints imply a functional form for the parallel mean field forces in the Ohm's law and the momentum balance equation. These forms suggest that the fluctuations attempt to relax the plasma to a state where both the current and the bulk plasma momentum are aligned along the mean magnetic field with proportionality constants that are global constants. Observations of flow profile evolution during discrete dynamo activity in reversed field pinch experiments are interpreted

Lattice Automata for Control of Self-Reconfigurable Robots

DEFF Research Database (Denmark)

Støy, Kasper

2015-01-01

are extreme versatility and robustness. The organisation of self-reconfigurable robots in a lattice structure and the emphasis on local communication between modules mean that lattice automata are a useful basis for control of self-reconfigurable robots. However, there are significant differences which arise...... mainly from the physical nature of self-reconfigurable robots as opposed to the virtual nature of lattice automata. The problems resulting from these differences are mutual exclusion, handling motion constraints of modules, and unrealistic assumption about global, spatial orientation. Despite...... these problems the self-reconfigurable robot community has successfully applied lattice automata to simple control problems. However, for more complex problems hybrid solutions based on lattice automata and distributed algorithms are used. Hence, lattice automata have shown to have potential for the control...

Self-consistent modelling of lattice strains during the in-situ tensile loading of twinning induced plasticity steel

International Nuclear Information System (INIS)

Saleh, Ahmed A.; Pereloma, Elena V.; Clausen, Bjørn; Brown, Donald W.; Tomé, Carlos N.; Gazder, Azdiar A.

2014-01-01

The evolution of lattice strains in a fully recrystallised Fe–24Mn–3Al–2Si–1Ni–0.06C TWinning Induced Plasticity (TWIP) steel subjected to uniaxial tensile loading up to a true strain of ∼35% was investigated via in-situ neutron diffraction. Typical of fcc elastic and plastic anisotropy, the {111} and {200} grain families record the lowest and highest lattice strains, respectively. Using modelling cases with and without latent hardening, the recently extended Elasto-Plastic Self-Consistent model successfully predicted the macroscopic stress–strain response, the evolution of lattice strains and the development of crystallographic texture. Compared to the isotropic hardening case, latent hardening did not have a significant effect on lattice strains and returned a relatively faster development of a stronger 〈111〉 and a weaker 〈100〉 double fibre parallel to the tensile axis. Close correspondence between the experimental lattice strains and those predicted using particular orientations embedded within a random aggregate was obtained. The result suggests that the exact orientations of the surrounding aggregate have a weak influence on the lattice strain evolution

Persistence length of wormlike micelles composed of ionic surfactants: self-consistent-field predictions

NARCIS (Netherlands)

Lauw, Y.; Leermakers, F.A.M.; Cohen Stuart, M.A.

2007-01-01

The persistence length of a wormlike micelle composed of ionic surfactants CnEmXk in an aqueous solvent is predicted by means of the self-consistent-field theory where CnEm is the conventional nonionic surfactant and X-k is an additional sequence of k weakly charged (pH-dependent) segments. By

Geometry of lattice field theory

International Nuclear Information System (INIS)

Honan, T.J.

1986-01-01

Using some tools of algebraic topology, a general formalism for lattice field theory is presented. The lattice is taken to be a simplicial complex that is also a manifold and is referred to as a simplicial manifold. The fields on this lattice are cochains, that are called lattice forms to emphasize the connections with differential forms in the continuum. This connection provides a new bridge between lattice and continuum field theory. A metric can be put onto this simplicial manifold by assigning lengths to every link or I-simplex of the lattice. Regge calculus is a way of defining general relativity on this lattice. A geometric discussion of Regge calculus is presented. The Regge action, which is a discrete form of the Hilbert action, is derived from the Hilbert action using distribution valued forms. This is a new derivation that emphasizes the underlying geometry. Kramers-Wannier duality in statistical mechanics is discussed in this general setting. Nonlinear field theories, which include gauge theories and nonlinear sigma models are discussed in the continuum and then are put onto a lattice. The main new result here is the generalization to curved spacetime, which consists of making the theory compatible with Regge calculus

Vibrational multiconfiguration self-consistent field theory: implementation and test calculations.

Science.gov (United States)

Heislbetz, Sandra; Rauhut, Guntram

2010-03-28

A state-specific vibrational multiconfiguration self-consistent field (VMCSCF) approach based on a multimode expansion of the potential energy surface is presented for the accurate calculation of anharmonic vibrational spectra. As a special case of this general approach vibrational complete active space self-consistent field calculations will be discussed. The latter method shows better convergence than the general VMCSCF approach and must be considered the preferred choice within the multiconfigurational framework. Benchmark calculations are provided for a small set of test molecules.

END FIELD EFFECTS IN BEND ONLY COOLING LATTICES

International Nuclear Information System (INIS)

BEERG, J.S.; KIRK, H.; GARREN, A.

2003-01-01

Cooling lattices consisting only of bends (using either rotated pole faces or gradient dipoles to achieve focusing) often require large apertures and short magnets. One expects the effect of end fields to be significant in this case. In this paper we explore the effect of adding end fields to a working lattice design that originally lacked them. The paper describes the process of correcting the lattice design for the added end fields so as to maintain desirable lattice characteristics. It then compares the properties of the lattice with end fields relative to the lattice without them

Diffusion and coupled fluxes in concentrated alloys under irradiation: a self-consistent mean-field approach

International Nuclear Information System (INIS)

Nastar, M.

2008-01-01

When an alloy is irradiated, atomic transport can occur through the two types of defects which are created: vacancies and interstitials. Recent developments of the self-consistent mean field (SCMF) kinetic theory could treat within the same formalism diffusion due to vacancies and interstitials in a multi-component alloy. It starts from a microscopic model of the atomic transport via vacancies and interstitials and yields the fluxes with a complete Onsager matrix of the phenomenological coefficients. The jump frequencies depend on the local environment through a 'broken bond model' such that the large range of frequencies involved in concentrated alloys is produced by a small number of thermodynamic and kinetic parameters. Kinetic correlations are accounted for through a set of time-dependent effective interactions within a non-equilibrium distribution function of the system. The different approximations of the SCMF theory recover most of the previous diffusion models. Recent improvements of the theory were to extend the multi-frequency approach usually restricted to dilute alloys to diffusion in concentrated alloys with jump frequencies depending on local concentrations and to generalize the formalism first developed for the vacancy diffusion mechanism to the more complex diffusion mechanism of the interstitial in the dumbbell configuration. (author)

The numerical multiconfiguration self-consistent field approach for atoms; Der numerische Multiconfiguration Self-Consistent Field-Ansatz fuer Atome

Energy Technology Data Exchange (ETDEWEB)

Stiehler, Johannes

1995-12-15

The dissertation uses the Multiconfiguration Self-Consistent Field Approach to specify the electronic wave function of N electron atoms in a static electrical field. It presents numerical approaches to describe the wave functions and introduces new methods to compute the numerical Fock equations. Based on results computed with an implemented computer program the universal application, flexibility and high numerical precision of the presented approach is shown. RHF results and for the first time MCSCF results for polarizabilities and hyperpolarizabilities of various states of the atoms He to Kr are discussed. In addition, an application to interpret a plasma spectrum of gallium is presented. (orig.)

Predicting intragranular misorientation distributions in polycrystalline metals using the viscoplastic self-consistent formulation

DEFF Research Database (Denmark)

Zecevic, Miroslav; Pantleon, Wolfgang; Lebensohn, Ricardo A.

2017-01-01

In a recent paper, we reported the methodology to calculate intragranular fluctuations in the instantaneous lattice rotation rates in polycrystalline materials within the mean-field viscoplastic self-consistent (VPSC) model. This paper is concerned with the time integration and subsequent use......, we calculate intragranular misorientations in face-centered cubic polycrystals deformed in tension and plane-strain compression. These predictions are tested by comparison with corresponding experiments for polycrystalline copper and aluminum, respectively, and with full-field calculations....... It is observed that at sufficiently high strains some grains develop large misorientations that may lead to grain fragmentation and/or act as driving forces for recrystallization. The proposed VPSC-based prediction of intragranular misorientations enables modeling of grain fragmentation, as well as a more...

Active matter beyond mean-field: ring-kinetic theory for self-propelled particles.

Science.gov (United States)

Chou, Yen-Liang; Ihle, Thomas

2015-02-01

Recently, Hanke et al. [Phys. Rev. E 88, 052309 (2013)] showed that mean-field kinetic theory fails to describe collective motion in soft active colloids and that correlations must not be neglected. Correlation effects are also expected to be essential in systems of biofilaments driven by molecular motors and in swarms of midges. To obtain correlations in an active matter system from first principles, we derive a ring-kinetic theory for Vicsek-style models of self-propelled agents from the exact N-particle evolution equation in phase space. The theory goes beyond mean-field and does not rely on Boltzmann's approximation of molecular chaos. It can handle precollisional correlations and cluster formation, which are both important to understand the phase transition to collective motion. We propose a diagrammatic technique to perform a small-density expansion of the collision operator and derive the first two equations of the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy. An algorithm is presented that numerically solves the evolution equation for the two-particle correlations on a lattice. Agent-based simulations are performed and informative quantities such as orientational and density correlation functions are compared with those obtained by ring-kinetic theory. Excellent quantitative agreement between simulations and theory is found at not-too-small noises and mean free paths. This shows that there are parameter ranges in Vicsek-like models where the correlated closure of the BBGKY hierarchy gives correct and nontrivial results. We calculate the dependence of the orientational correlations on distance in the disordered phase and find that it seems to be consistent with a power law with an exponent around -1.8, followed by an exponential decay. General limitations of the kinetic theory and its numerical solution are discussed.

Relativistic four-component multiconfigurational self-consistent-field theory for molecules

DEFF Research Database (Denmark)

Jensen, Hans Jørgen Aa; Dyall, Kenneth G.; Saue, Trond

1996-01-01

A formalism for relativistic four-component multiconfigurational self-consistent-field calculations on molecules is presented. The formalism parallels a direct second-order restricted-step algorithm developed for nonrelativistic molecular calculations. The presentation here focuses on the differe......A formalism for relativistic four-component multiconfigurational self-consistent-field calculations on molecules is presented. The formalism parallels a direct second-order restricted-step algorithm developed for nonrelativistic molecular calculations. The presentation here focuses...... the memory used by the largest nonrelativistic calculation in the equivalent basis, due to the complex arithmetic. The feasibility of the calculations is then determined more by the disk space for storage of integrals and N-particle expansion vectors....

Self-consistent quark bags

International Nuclear Information System (INIS)

Rafelski, J.

1979-01-01

After an introductory overview of the bag model the author uses the self-consistent solution of the coupled Dirac-meson fields to represent a bound state of strongly ineteracting fermions. In this framework he discusses the vivial approach to classical field equations. After a short description of the used numerical methods the properties of bound states of scalar self-consistent Fields and the solutions of a self-coupled Dirac field are considered. (HSI) [de

Quark mean field theory and consistency with nuclear matter

International Nuclear Information System (INIS)

Dey, J.; Tomio, L.; Dey, M.; Frederico, T.

1989-01-01

1/N c expansion in QCD (with N c the number of colours) suggests using a potential from meson sector (e.g. Richardson) for baryons. For light quarks a σ field has to be introduced to ensure chiral symmetry breaking ( χ SB). It is found that nuclear matter properties can be used to pin down the χ SB-modelling. All masses, M Ν , m σ , m ω are found to scale with density. The equations are solved self consistently. (author)

Macroscopic self-consistent model for external-reflection near-field microscopy

International Nuclear Information System (INIS)

Berntsen, S.; Bozhevolnaya, E.; Bozhevolnyi, S.

1993-01-01

The self-consistent macroscopic approach based on the Maxwell equations in two-dimensional geometry is developed to describe tip-surface interaction in external-reflection near-field microscopy. The problem is reduced to a single one-dimensional integral equation in terms of the Fourier components of the field at the plane of the sample surface. This equation is extended to take into account a pointlike scatterer placed on the sample surface. The power of light propagating toward the detector as the fiber mode is expressed by using the self-consistent field at the tip surface. Numerical results for trapezium-shaped tips are presented. The authors show that the sharper tip and the more confined fiber mode result in better resolution of the near-field microscope. Moreover, it is found that the tip-surface distance should not be too small so that better resolution is ensured. 14 refs., 10 figs

Analytical relativistic self-consistent-field calculations for atoms

International Nuclear Information System (INIS)

Barthelat, J.C.; Pelissier, M.; Durand, P.

1980-01-01

A new second-order representation of the Dirac equation is presented. This representation which is exact for a hydrogen atom is applied to approximate analytical self-consistent-field calculations for atoms. Results are given for the rare-gas atoms from helium to radon and for lead. The results compare favorably with numerical Dirac-Hartree-Fock solutions

Quark mean field theory and consistency with nuclear matter

International Nuclear Information System (INIS)

Dey, J.; Dey, M.; Frederico, T.; Tomio, L.

1990-09-01

1/N c expansion in QCD (with N c the number of colours) suggests using a potential from meson sector (e.g. Richardson) for baryons. For light quarks a σ field has to be introduced to ensure chiral symmetry breaking ( χ SB). It is found that nuclear matter properties can be used to pin down the χ SB-modelling. All masses, M N , m σ , m ω are found to scale with density. The equations are solved self consistently. (author). 29 refs, 2 tabs

All-electron ab initio calculations of YBa2Cu3O7 with self-consistence crystal field

Institute of Scientific and Technical Information of China (English)

刘洪霖; 陈念贻

1995-01-01

The quantum chemical calculations of cluster YBa2Cu3O7 considering all electrons have been per-formed by using the ab initio HF method with self-consistence crystal field.A Hartree-Fork surface potentialis proposed to make an asymmetric duster model possess a relatively symmetric potential field and to obtaina relatively symmetric electronic structure,electronic distributions,frontier orbitals,and bond order,etc.Thesuggestions that there exists a covalent bonding complex,[CuO2-O-CuO-O-Cu2]6,8-,in the cell unit ofthe crystal,and the cell units are connected with each other by ionic bonds along the c direction of the crys-tal lattice are offered based on the chemical bonding characteristics from the calculated results.The importantcontribution of the apical oxygen to superconductivities is emphasized as well.

Self-organization of topological defects for a triangular-lattice magnetic dots array subject to a perpendicular magnetic field

Directory of Open Access Journals (Sweden)

R.S. Khymyn

2014-09-01

Full Text Available The regular array of magnetic particles (magnetic dots of the form of a two-dimensional triangular lattice in the presence of external magnetic field demonstrates complicated magnetic structures. The magnetic symmetry of the ground state for such a system is lower than that for the underlying lattice. Long range dipole-dipole interaction leads to a specific antiferromagnetic order in small fields, whereas a set of linear topological defects appears with the growth of the magnetic field. Self-organization of such defects determines the magnetization process for a system within a wide range of external magnetic fields.

The packing of soft materials: Molecular asymmetry, geometric frustration and optimal lattices in block copolymer melts

International Nuclear Information System (INIS)

Grason, Gregory M.

2006-01-01

Block copolymer systems are well known for their ability to self-assemble into a wide array of periodic structures. Due to the abundance and adaptability of physical theories describing polymers, this system is ideal for the development of robust and testible predictions about amphiphilic self-assembly phenomena at large. We review the results of field-theoretic treatments of block copolymer melts, with the aim of understanding how self-assembly in this system can be understood in terms of optimal lattice geometry. The self-consistent (mean) field theory of block copolymer melts as well as its low temperature limit, strong-segregation theory, are presented in detail, highlighting the special role played by asymmetry in the copolymer architecture. Special attention is paid to micellar configurations, where a well-defined and simple notion of optimal lattice geometry emerges from a particular asymptotic limit of the full self-consistent field theory. In this limit, the stability of competing arrangements of copolymer micelles can be assessed in terms of two discrete measures of the lattice geometry, emphasizing the non-trivial coupling between the internal configurations of the fundamentally soft micelles and the periodic symmetry of the lattice

Multichain Mean-Field Theory of Quasi-One-Dimensional Quantum Spin Systems

International Nuclear Information System (INIS)

Sandvik, A.W.

1999-01-01

A multichain mean-field theory is developed and applied to a two-dimensional system of weakly coupled S=1/2 Heisenberg chains. The environment of a chain C 0 is modeled by a number of neighboring chains C δ , δ=±1, hor-ellipsis,± , with the edge chains C ±n coupled to a staggered field. Using a quantum Monte Carlo method, the effective (2n+1) -chain Hamiltonian is solved self-consistently for n up to 4 . The results are compared with simulation results for the original Hamiltonian on large rectangular lattices. Both methods show that the staggered magnetization M for small interchain couplings α behaves as M∼√(α) enhanced by a multiplicative logarithmic correction. copyright 1999 The American Physical Society

Gauge field theories on a || lattice

International Nuclear Information System (INIS)

Burkardt, Matthias

1999-01-01

In these notes, the transverse || lattice approach is presented as a means to control the k + →0 divergences in light-front QCD. Technical difficulties of both the canonical compact formulation as well as the non-compact formulation of the || lattice motivate the color-dielectric formulation, where the link fields are linearized

Bosons system with finite repulsive interaction: self-consistent field method

International Nuclear Information System (INIS)

Renatino, M.M.B.

1983-01-01

Some static properties of a boson system (T = zero degree Kelvin), under the action of a repulsive potential are studied. For the repulsive potential, a model was adopted consisting of a region where it is constant (r c ), and a decay as 1/r (r > r c ). The self-consistent field approximation used takes into account short range correlations through a local field corrections, which leads to an effective field. The static structure factor S(q-vector) and the effective potential ψ(q-vector) are obtained through a self-consistent calculation. The pair-correlation function g(r-vector) and the energy of the collective excitations E(q-vector) are also obtained, from the structure factor. The density of the system and the parameters of the repulsive potential, that is, its height and the size of the constant region were used as variables for the problem. The results obtained for S(q-vector), g(r-vector) and E(q-vector) for a fixed ratio r o /r c and a variable λ, indicates the raising of a system structure, which is more noticeable when the potential became more repulsive. (author)

A new mixed self-consistent field procedure

Science.gov (United States)

Alvarez-Ibarra, A.; Köster, A. M.

2015-10-01

A new approach for the calculation of three-centre electronic repulsion integrals (ERIs) is developed, implemented and benchmarked in the framework of auxiliary density functional theory (ADFT). The so-called mixed self-consistent field (mixed SCF) divides the computationally costly ERIs in two sets: far-field and near-field. Far-field ERIs are calculated using the newly developed double asymptotic expansion as in the direct SCF scheme. Near-field ERIs are calculated only once prior to the SCF procedure and stored in memory, as in the conventional SCF scheme. Hence the name, mixed SCF. The implementation is particularly powerful when used in parallel architectures, since all RAM available are used for near-field ERI storage. In addition, the efficient distribution algorithm performs minimal intercommunication operations between processors, avoiding a potential bottleneck. One-, two- and three-dimensional systems are used for benchmarking, showing substantial time reduction in the ERI calculation for all of them. A Born-Oppenheimer molecular dynamics calculation for the Na+55 cluster is also shown in order to demonstrate the speed-up for small systems achievable with the mixed SCF. Dedicated to Sourav Pal on the occasion of his 60th birthday.

Towards a coupled-cluster treatment of SU(N) lattice gauge field theory

NARCIS (Netherlands)

Bishop, Raymond F.; Ligterink, N.E.; Walet, Niels R.

2006-01-01

A consistent approach to Hamiltonian SU(N) lattice gauge field theory is developed using the maximal-tree gauge and an appropriately chosen set of angular variables. The various constraints are carefully discussed, as is a practical means for their implementation. A complete set of variables for the

Self-consistent equilibria in cylindrical reversed-field pinch

International Nuclear Information System (INIS)

Lo Surdo, C.; Paccagnella, R.; Guo, S.

1995-03-01

The object of this work is to study the self-consistent magnetofluidstatic equilibria of a 2-region (plasma + gas) reversed-field pinch (RFP) in cylindrical approximation (namely, with vanishing inverse aspect ratio). Differently from what happens in a tokamak, in a RFP a significant part of the plasma current is driven by a dynamo electric field (DEF), in its turn mainly due to plasma turbulence. So, it is worked out a reasonable mathematical model of the above self-consistent equilibria under the following main points it has been: a) to the lowest order, and according to a standard ansatz, the turbulent DEF say ε t , is expressed as a homogeneous transform of the magnetic field B of degree 1, ε t =(α) (B), with α≡a given 2-nd rank tensor, homogeneous of degree 0 in B and generally depending on the plasma state; b) ε t does not explicitly appear in the plasma energy balance, as it were produced by a Maxwell demon able of extract the corresponding Joule power from the plasma. In particular, it is showed that, if both α and the resistivity tensor η are isotropic and constant, the magnetic field is force-free with abnormality equal to αη 0 /η, in the limit of vanishing β; that is, the well-known J.B. Taylor'result is recovered, in this particular conditions, starting from ideas quite different from the usual ones (minimization of total magnetic energy under constrained total elicity). Finally, the general problem is solved numerically under circular (besides cylindrical) symmetry, for simplicity neglecting the existence of gas region (i.e., assuming the plasma in direct contact with the external wall)

Self-consistent field theoretic simulations of amphiphilic triblock copolymer solutions: Polymer concentration and chain length effects

Directory of Open Access Journals (Sweden)

X.-G. Han

2014-06-01

Full Text Available Using the self-consistent field lattice model, polymer concentration φP and chain length N (keeping the length ratio of hydrophobic to hydrophilic blocks constant the effects on temperature-dependent behavior of micelles are studied, in amphiphilic symmetric ABA triblock copolymer solutions. When chain length is increased, at fixed φP, micelles occur at higher temperature. The variations of average volume fraction of stickers φcos and the lattice site numbers Ncols at the micellar cores with temperature are dependent on N and φP, which demonstrates that the aggregation of micelles depends on N and φP. Moreover, when φP is increased, firstly a peak appears on the curve of specific heat CV for unimer-micelle transition, and then in addition a primary peak, the secondary peak, which results from the remicellization, is observed on the curve of CV. For a long chain, in intermediate and high concentration regimes, the shape of specific heat peak markedly changes, and the peak tends to be a more broad peak. Finally, the aggregation behavior of micelles is explained by the aggregation way of amphiphilic triblock copolymer. The obtained results are helpful in understanding the micellar aggregation process.

Quantum correlated cluster mean-field theory applied to the transverse Ising model.

Science.gov (United States)

Zimmer, F M; Schmidt, M; Maziero, Jonas

2016-06-01

Mean-field theory (MFT) is one of the main available tools for analytical calculations entailed in investigations regarding many-body systems. Recently, there has been a surge of interest in ameliorating this kind of method, mainly with the aim of incorporating geometric and correlation properties of these systems. The correlated cluster MFT (CCMFT) is an improvement that succeeded quite well in doing that for classical spin systems. Nevertheless, even the CCMFT presents some deficiencies when applied to quantum systems. In this article, we address this issue by proposing the quantum CCMFT (QCCMFT), which, in contrast to its former approach, uses general quantum states in its self-consistent mean-field equations. We apply the introduced QCCMFT to the transverse Ising model in honeycomb, square, and simple cubic lattices and obtain fairly good results both for the Curie temperature of thermal phase transition and for the critical field of quantum phase transition. Actually, our results match those obtained via exact solutions, series expansions or Monte Carlo simulations.

MFPred: Rapid and accurate prediction of protein-peptide recognition multispecificity using self-consistent mean field theory.

Directory of Open Access Journals (Sweden)

Aliza B Rubenstein

2017-06-01

Full Text Available Multispecificity-the ability of a single receptor protein molecule to interact with multiple substrates-is a hallmark of molecular recognition at protein-protein and protein-peptide interfaces, including enzyme-substrate complexes. The ability to perform structure-based prediction of multispecificity would aid in the identification of novel enzyme substrates, protein interaction partners, and enable design of novel enzymes targeted towards alternative substrates. The relatively slow speed of current biophysical, structure-based methods limits their use for prediction and, especially, design of multispecificity. Here, we develop a rapid, flexible-backbone self-consistent mean field theory-based technique, MFPred, for multispecificity modeling at protein-peptide interfaces. We benchmark our method by predicting experimentally determined peptide specificity profiles for a range of receptors: protease and kinase enzymes, and protein recognition modules including SH2, SH3, MHC Class I and PDZ domains. We observe robust recapitulation of known specificities for all receptor-peptide complexes, and comparison with other methods shows that MFPred results in equivalent or better prediction accuracy with a ~10-1000-fold decrease in computational expense. We find that modeling bound peptide backbone flexibility is key to the observed accuracy of the method. We used MFPred for predicting with high accuracy the impact of receptor-side mutations on experimentally determined multispecificity of a protease enzyme. Our approach should enable the design of a wide range of altered receptor proteins with programmed multispecificities.

Effective field renormalization group approach for Ising lattice spin systems

Science.gov (United States)

Fittipaldi, Ivon P.

1994-03-01

A new applicable real-space renormalization group framework (EFRG) for computing the critical properties of Ising lattice spin systems is presented. The method, which follows up the same strategy of the mean-field renormalization group scheme (MFRG), is based on rigorous Ising spin identities and utilizes a convenient differential operator expansion technique. Within this scheme, in contrast with the usual mean-field type of equation of state, all the relevant self-spin correlations are taken exactly into account. The results for the critical coupling and the critical exponent v, for the correlation length, are very satisfactory and it is shown that this technique leads to rather accurate results which represent a remarkable improvement on those obtained from the standard MFRG method. In particular, it is shown that the present EFRG approach correctly distinguishes the geometry of the lattice structure even when employing its simplest size-cluster version. Owing to its simplicity we also comment on the wide applicability of the present method to problems in crystalline and disordered Ising spin systems.

Screening effects in a polyelectrolyte brush: self-consistent-field theory

NARCIS (Netherlands)

Zhulina, E.B.; Klein Wolterink, J.; Borisov, O.V.

2000-01-01

We have developed an analytical self-consistent-field (SCF) theory describing conformations of weakly charged polyelectrolyte chains tethered to the solid-liquid interface and immersed in a solution of low molecular weight salt. Depending on the density of grafting of the polyelectrolytes to the

Monte Carlo numerical study of lattice field theories

International Nuclear Information System (INIS)

Gan Cheekwan; Kim Seyong; Ohta, Shigemi

1997-01-01

The authors are interested in the exact first-principle calculations of quantum field theories which are indeed exact ones. For quantum chromodynamics (QCD) at low energy scale, a nonperturbation method is needed, and the only known such method is the lattice method. The path integral can be evaluated by putting a system on a finite 4-dimensional volume and discretizing space time continuum into finite points, lattice. The continuum limit is taken by making the lattice infinitely fine. For evaluating such a finite-dimensional integral, the Monte Carlo numerical estimation of the path integral can be obtained. The calculation of light hadron mass in quenched lattice QCD with staggered quarks, 3-dimensional Thirring model calculation and the development of self-test Monte Carlo method have been carried out by using the RIKEN supercomputer. The motivation of this study, lattice QCD formulation, continuum limit, Monte Carlo update, hadron propagator, light hadron mass, auto-correlation and source size dependence are described on lattice QCD. The phase structure of the 3-dimensional Thirring model for a small 8 3 lattice has been mapped. The discussion on self-test Monte Carlo method is described again. (K.I.)

Self-consistent velocity dependent effective interactions

International Nuclear Information System (INIS)

Kubo, Takayuki; Sakamoto, Hideo; Kammuri, Tetsuo; Kishimoto, Teruo.

1993-09-01

The field coupling method is extended to a system with a velocity dependent mean potential. By means of this method, we can derive the effective interactions which are consistent with the mean potential. The self-consistent velocity dependent effective interactions are applied to the microscopic analysis of the structures of giant dipole resonances (GDR) of 148,154 Sm, of the first excited 2 + states of Sn isotopes and of the first excited 3 - states of Mo isotopes. It is clarified that the interactions play crucial roles in describing the splitting of the resonant structure of GDR peaks, in restoring the energy weighted sum rule values, and in reducing B (Eλ) values. (author)

Self-consistent field theory of polymer-ionic molecule complexation.

Science.gov (United States)

Nakamura, Issei; Shi, An-Chang

2010-05-21

A self-consistent field theory is developed for polymers that are capable of binding small ionic molecules (adsorbates). The polymer-ionic molecule association is described by Ising-like binding variables, C(i) ((a))(kDelta)(=0 or 1), whose average determines the number of adsorbed molecules, n(BI). Polymer gelation can occur through polymer-ionic molecule complexation in our model. For polymer-polymer cross-links through the ionic molecules, three types of solutions for n(BI) are obtained, depending on the equilibrium constant of single-ion binding. Spinodal lines calculated from the mean-field free energy exhibit closed-loop regions where the homogeneous phase becomes unstable. This phase instability is driven by the excluded-volume interaction due to the single occupancy of ion-binding sites on the polymers. Moreover, sol-gel transitions are examined using a critical degree of conversion. A gel phase is induced when the concentration of adsorbates is increased. At a higher concentration of the adsorbates, however, a re-entrance from a gel phase into a sol phase arises from the correlation between unoccupied and occupied ion-binding sites. The theory is applied to a model system, poly(vinyl alcohol) and borate ion in aqueous solution with sodium chloride. Good agreement between theory and experiment is obtained.

Self-consistent one-gluon exchange in soliton bag models

International Nuclear Information System (INIS)

Dodd, L.R.; Adelaide Univ.; Williams, A.G.

1988-01-01

The treatment of soliton bag models as two-point boundary value problems is extended to include self-consistent one-gluon exchange interactions. The colour-magnetic contribution to the nucleon-delta mass splitting is calculated self-consistently in the mean-field, one-gluon-exchange approximation for the Friedberg-Lee and Nielsen-Patkos models. Small glueball mass parameters (m GB ∝ 500 MeV) are favoured. Comparisons with previous calculations are made. (orig.)

Self-consistent equilibrium in a cylindrical, dissipative reverse field pinch

International Nuclear Information System (INIS)

Guo, S.C.; Paccagnella, R.

1994-01-01

One of the authors (C.L.S.) recently proposed a dissipative model to self-consistently solve the equilibrium problem in a free-boundary plasma column under cylindrical symmetry. In the present paper, on one hand the problem is strongly specialized to circular symmetry and to Ohm's and Fourier's laws without off-diagonal contributions; on the other hand, it is generalized by adding a dynamo effective electric field E d in Ohm's law, based on the standard turbulent model. This seems appropriate enough to study RFP equilibria, since it is well known that a stationary and cylindrically symmetric RFP is incompatible with a classical Ohm's law. Reasonably, only numerical solutions are expected to be accessible in general; but the further simplified problem with scalar and constant electric resistivity and constant dynamo coefficient α (E d =αB) can be solved analytically by elementary means. (author) 4 refs., 2 figs

Enumeration of self-avoiding walks on the square lattice

International Nuclear Information System (INIS)

Jensen, Iwan

2004-01-01

We describe a new algorithm for the enumeration of self-avoiding walks on the square lattice. Using up to 128 processors on a HP Alpha server cluster we have enumerated the number of self-avoiding walks on the square lattice to length 71. Series for the metric properties of mean-square end-to-end distance, mean-square radius of gyration and mean-square distance of monomers from the end points have been derived to length 59. An analysis of the resulting series yields accurate estimates of the critical exponents γ and ν confirming predictions of their exact values. Likewise we obtain accurate amplitude estimates yielding precise values for certain universal amplitude combinations. Finally we report on an analysis giving compelling evidence that the leading non-analytic correction-to-scaling exponent Δ 1 = 3/2

Interactions between Nanoparticles and Polymer Brushes: Molecular Dynamics Simulations and Self-consistent Field Theory Calculations

Science.gov (United States)

Cheng, Shengfeng; Wen, Chengyuan; Egorov, Sergei

2015-03-01

Molecular dynamics simulations and self-consistent field theory calculations are employed to study the interactions between a nanoparticle and a polymer brush at various densities of chains grafted to a plane. Simulations with both implicit and explicit solvent are performed. In either case the nanoparticle is loaded to the brush at a constant velocity. Then a series of simulations are performed to compute the force exerted on the nanoparticle that is fixed at various distances from the grafting plane. The potential of mean force is calculated and compared to the prediction based on a self-consistent field theory. Our simulations show that the explicit solvent leads to effects that are not captured in simulations with implicit solvent, indicating the importance of including explicit solvent in molecular simulations of such systems. Our results also demonstrate an interesting correlation between the force on the nanoparticle and the density profile of the brush. We gratefully acknowledge the support of NVIDIA Corporation with the donation of the Tesla K40 GPU used for this research.

Lopsidedness of Self-consistent Galaxies Caused by the External Field Effect of Clusters

Energy Technology Data Exchange (ETDEWEB)

Wu, Xufen [CAS Key Laboratory for Research in Galaxies and Cosmology, Department of Astronomy, University of Science and Technology of China, Hefei, 230026 (China); Wang, Yougang [Key Laboratory of Computational Astrophysics, National Astronomical Observatories, Chinese Academy of Sciences, Beijing, 100012 (China); Feix, Martin [CNRS, UMR 7095 and UPMC, Institut d’Astrophysique de Paris, 98 bis Boulevard Arago, F-75014 Paris (France); Zhao, HongSheng, E-mail: xufenwu@ustc.edu.cn [School of Physics and Astronomy, University of St Andrews, North Haugh, Fife, KY16 9SS (United Kingdom)

2017-08-01

Adopting Schwarzschild’s orbit-superposition technique, we construct a series of self-consistent galaxy models, embedded in the external field of galaxy clusters in the framework of Milgrom’s MOdified Newtonian Dynamics (MOND). These models represent relatively massive ellipticals with a Hernquist radial profile at various distances from the cluster center. Using N -body simulations, we perform a first analysis of these models and their evolution. We find that self-gravitating axisymmetric density models, even under a weak external field, lose their symmetry by instability and generally evolve to triaxial configurations. A kinematic analysis suggests that the instability originates from both box and nonclassified orbits with low angular momentum. We also consider a self-consistent isolated system that is then placed in a strong external field and allowed to evolve freely. This model, just like the corresponding equilibrium model in the same external field, eventually settles to a triaxial equilibrium as well, but has a higher velocity radial anisotropy and is rounder. The presence of an external field in the MOND universe generically predicts some lopsidedness of galaxy shapes.

Lopsidedness of Self-consistent Galaxies Caused by the External Field Effect of Clusters

Science.gov (United States)

Wu, Xufen; Wang, Yougang; Feix, Martin; Zhao, HongSheng

2017-08-01

Adopting Schwarzschild’s orbit-superposition technique, we construct a series of self-consistent galaxy models, embedded in the external field of galaxy clusters in the framework of Milgrom’s MOdified Newtonian Dynamics (MOND). These models represent relatively massive ellipticals with a Hernquist radial profile at various distances from the cluster center. Using N-body simulations, we perform a first analysis of these models and their evolution. We find that self-gravitating axisymmetric density models, even under a weak external field, lose their symmetry by instability and generally evolve to triaxial configurations. A kinematic analysis suggests that the instability originates from both box and nonclassified orbits with low angular momentum. We also consider a self-consistent isolated system that is then placed in a strong external field and allowed to evolve freely. This model, just like the corresponding equilibrium model in the same external field, eventually settles to a triaxial equilibrium as well, but has a higher velocity radial anisotropy and is rounder. The presence of an external field in the MOND universe generically predicts some lopsidedness of galaxy shapes.

Self-consistent-field calculations of proteinlike incorporations in polyelectrolyte complex micelles

NARCIS (Netherlands)

Lindhoud, S.; Cohen Stuart, M.A.; Norde, W.; Leermakers, F.A.M.

2009-01-01

Self-consistent field theory is applied to model the structure and stability of polyelectrolyte complex micelles with incorporated protein (molten globule) molecules in the core. The electrostatic interactions that drive the micelle formation are mimicked by nearest-neighbor interactions using

The numerical multiconfiguration self-consistent field approach for atoms

International Nuclear Information System (INIS)

Stiehler, Johannes

1995-12-01

The dissertation uses the Multiconfiguration Self-Consistent Field Approach to specify the electronic wave function of N electron atoms in a static electrical field. It presents numerical approaches to describe the wave functions and introduces new methods to compute the numerical Fock equations. Based on results computed with an implemented computer program the universal application, flexibility and high numerical precision of the presented approach is shown. RHF results and for the first time MCSCF results for polarizabilities and hyperpolarizabilities of various states of the atoms He to Kr are discussed. In addition, an application to interpret a plasma spectrum of gallium is presented. (orig.)

Communication: A difference density picture for the self-consistent field ansatz

Energy Technology Data Exchange (ETDEWEB)

Parrish, Robert M.; Liu, Fang; Martínez, Todd J., E-mail: toddjmartinez@gmail.com [Department of Chemistry and the PULSE Institute, Stanford University, Stanford, California 94305 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)

2016-04-07

We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this “difference self-consistent field (dSCF)” picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TERACHEM SCF implementation.

Communication: A difference density picture for the self-consistent field ansatz

International Nuclear Information System (INIS)

Parrish, Robert M.; Liu, Fang; Martínez, Todd J.

2016-01-01

We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this “difference self-consistent field (dSCF)” picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TERACHEM SCF implementation.

Communication: A difference density picture for the self-consistent field ansatz

Science.gov (United States)

Parrish, Robert M.; Liu, Fang; Martínez, Todd J.

2016-04-01

We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this "difference self-consistent field (dSCF)" picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TeraChem SCF implementation.

Hydrodynamic mean-field solutions of 1D exclusion processes with spatially varying hopping rates

Energy Technology Data Exchange (ETDEWEB)

Lakatos, Greg; O' Brien, John; Chou, Tom [Department of Biomathematics and Institute for Pure and Applied Mathematics, UCLA, Los Angeles, CA 90095 (United States)

2006-03-10

We analyse the open boundary partially asymmetric exclusion process with smoothly varying internal hopping rates in the infinite-size, mean-field limit. The mean-field equations for particle densities are written in terms of Ricatti equations with the steady-state current J as a parameter. These equations are solved both analytically and numerically. Upon imposing the boundary conditions set by the injection and extraction rates, the currents J are found self-consistently. We find a number of cases where analytic solutions can be found exactly or approximated. Results for J from asymptotic analyses for slowly varying hopping rates agree extremely well with those from extensive Monte Carlo simulations, suggesting that mean-field currents asymptotically approach the exact currents in the hydrodynamic limit, as the hopping rates vary slowly over the lattice. If the forward hopping rate is greater than or less than the backward hopping rate throughout the entire chain, the three standard steady-state phases are preserved. Our analysis reveals the sensitivity of the current to the relative phase between the forward and backward hopping rate functions.

Hydrodynamic mean-field solutions of 1D exclusion processes with spatially varying hopping rates

International Nuclear Information System (INIS)

Lakatos, Greg; O'Brien, John; Chou, Tom

2006-01-01

We analyse the open boundary partially asymmetric exclusion process with smoothly varying internal hopping rates in the infinite-size, mean-field limit. The mean-field equations for particle densities are written in terms of Ricatti equations with the steady-state current J as a parameter. These equations are solved both analytically and numerically. Upon imposing the boundary conditions set by the injection and extraction rates, the currents J are found self-consistently. We find a number of cases where analytic solutions can be found exactly or approximated. Results for J from asymptotic analyses for slowly varying hopping rates agree extremely well with those from extensive Monte Carlo simulations, suggesting that mean-field currents asymptotically approach the exact currents in the hydrodynamic limit, as the hopping rates vary slowly over the lattice. If the forward hopping rate is greater than or less than the backward hopping rate throughout the entire chain, the three standard steady-state phases are preserved. Our analysis reveals the sensitivity of the current to the relative phase between the forward and backward hopping rate functions

Orbital effect of the magnetic field in dynamical mean-field theory

Science.gov (United States)

Acheche, S.; Arsenault, L.-F.; Tremblay, A.-M. S.

2017-12-01

The availability of large magnetic fields at international facilities and of simulated magnetic fields that can reach the flux-quantum-per-unit-area level in cold atoms calls for systematic studies of orbital effects of the magnetic field on the self-energy of interacting systems. Here we demonstrate theoretically that orbital effects of magnetic fields can be treated within single-site dynamical mean-field theory with a translationally invariant quantum impurity problem. As an example, we study the one-band Hubbard model on the square lattice using iterated perturbation theory as an impurity solver. We recover the expected quantum oscillations in the scattering rate, and we show that the magnetic fields allow the interaction-induced effective mass to be measured through the single-particle density of states accessible in tunneling experiments. The orbital effect of magnetic fields on scattering becomes particularly important in the Hofstadter butterfly regime.

Dynamical Mean Field Approximation Applied to Quantum Field Theory

CERN Document Server

Akerlund, Oscar; Georges, Antoine; Werner, Philipp

2013-12-04

We apply the Dynamical Mean Field (DMFT) approximation to the real, scalar phi^4 quantum field theory. By comparing to lattice Monte Carlo calculations, perturbation theory and standard mean field theory, we test the quality of the approximation in two, three, four and five dimensions. The quantities considered in these tests are the critical coupling for the transition to the ordered phase and the associated critical exponents nu and beta. We also map out the phase diagram in four dimensions. In two and three dimensions, DMFT incorrectly predicts a first order phase transition for all bare quartic couplings, which is problematic, because the second order nature of the phase transition of lattice phi^4-theory is crucial for taking the continuum limit. Nevertheless, by extrapolating the behaviour away from the phase transition, one can obtain critical couplings and critical exponents. They differ from those of mean field theory and are much closer to the correct values. In four dimensions the transition is sec...

Self-consistent field theory of polymer-ionic molecule complexation

OpenAIRE

Nakamura, Issei; Shi, An-Chang

2010-01-01

A self-consistent field theory is developed for polymers that are capable of binding small ionic molecules (adsorbates). The polymer-ionic molecule association is described by Ising-like binding variables, C_(i)^(a)(kΔ)(= 0 or 1), whose average determines the number of adsorbed molecules, nBI. Polymer gelation can occur through polymer-ionic molecule complexation in our model. For polymer-polymer cross-links through the ionic molecules, three types of solutions for nBI are obtained, depending...

The cross-over points in lattice gauge theories with continuous gauge groups

International Nuclear Information System (INIS)

Cvitanovic, P.; Greensite, J.; Lautrup, B.

1981-01-01

We obtain a closed expression for the weak-to-strong coupling cross-over point in all Wilson type lattice gauge theories with continuous gauge groups. We use a weak-coupling expansion of the mean-field self-consistency equation. In all cases where our results can be compared with Monte Carlo calculations the agreement is excellent. (orig.)

On the hydrodynamic limit of self-consistent field equations

International Nuclear Information System (INIS)

Pauli, H.C.

1980-01-01

As an approximation to the nuclear many-body problem, the hydrodynamical limit of self-consistent field equations is worked out and applied to the treatment of vibrational and rotational motion. Its validity is coupled to the value of a smallness parameter, behaving as 20Asup(-2/3) with the number of nucleons. For finite nuclei, this number is not small enough as compared to 1, and indeed one observes a discrepancy of roughly a factor of 5 between the hydrodynamic frequencies and the relevant experimental numbers. (orig.)

Multiconfigurational self-consistent reaction field theory for nonequilibrium solvation

DEFF Research Database (Denmark)

Mikkelsen, Kurt V.; Cesar, Amary; Ågren, Hans

1995-01-01

electronic structure whereas the inertial polarization vector is not necessarily in equilibrium with the actual electronic structure. The electronic structure of the compound is described by a correlated electronic wave function - a multiconfigurational self-consistent field (MCSCF) wave function. This wave......, open-shell, excited, and transition states. We demonstrate the theory by computing solvatochromatic shifts in optical/UV spectra of some small molecules and electron ionization and electron detachment energies of the benzene molecule. It is shown that the dependency of the solvent induced affinity...

Self-consistent field variational cellular method as applied to the band structure calculation of sodium

International Nuclear Information System (INIS)

Lino, A.T.; Takahashi, E.K.; Leite, J.R.; Ferraz, A.C.

1988-01-01

The band structure of metallic sodium is calculated, using for the first time the self-consistent field variational cellular method. In order to implement the self-consistency in the variational cellular theory, the crystal electronic charge density was calculated within the muffin-tin approximation. The comparison between our results and those derived from other calculations leads to the conclusion that the proposed self-consistent version of the variational cellular method is fast and accurate. (author) [pt

Conformal field theories, representations and lattice constructions

International Nuclear Information System (INIS)

Dolan, L.; Montague, P.

1996-01-01

An account is given of the structure and representations of chiral bosonic meromorphic conformal field theories (CFT's), and, in particular, the conditions under which such a CFT may be extended by a representation to form a new theory. This general approach is illustrated by considering the untwisted and Z 2 -twisted theories, H(Λ) and H(Λ) respectively, which may be constructed from a suitable even Euclidean lattice Λ. Similarly, one may construct lattices Λ C and Lambda C by analogous constructions from a doubly-even binary code C. In the case when C is self-dual, the corresponding lattices are also. Similarly, H(Λ) and H(Λ) are self-dual if and only if Λ is. We show that H(Λ C ) has a natural triality structure, which induces an isomorphism H(Λ C )≡H(Λ C ) and also a triality structure on H(Λ C ). For C the Golay code, Λ C is the Leech lattice, and the triality on H(Λ C ) is the symmetry which extends the natural action of (an extension of) Conway's group on this theory to the Monster, so setting triality and Frenkel, Lepowsky and Meurman's construction of the natural Monster module in a more general context. The results also serve to shed some light on the classification of self-dual CFT's. We find that of the 48 theories H(Λ) and H(Λ) with central charge 24 that there are 39 distinct ones, and further that all 9 coincidences are accounted for by the isomorphism detailed above, induced by the existence of a doubly-even self-dual binary code. (orig.). With 8 figs., 2 tabs

Quantum mean-field approximation for lattice quantum models: Truncating quantum correlations and retaining classical ones

Science.gov (United States)

Malpetti, Daniele; Roscilde, Tommaso

2017-02-01

The mean-field approximation is at the heart of our understanding of complex systems, despite its fundamental limitation of completely neglecting correlations between the elementary constituents. In a recent work [Phys. Rev. Lett. 117, 130401 (2016), 10.1103/PhysRevLett.117.130401], we have shown that in quantum many-body systems at finite temperature, two-point correlations can be formally separated into a thermal part and a quantum part and that quantum correlations are generically found to decay exponentially at finite temperature, with a characteristic, temperature-dependent quantum coherence length. The existence of these two different forms of correlation in quantum many-body systems suggests the possibility of formulating an approximation, which affects quantum correlations only, without preventing the correct description of classical fluctuations at all length scales. Focusing on lattice boson and quantum Ising models, we make use of the path-integral formulation of quantum statistical mechanics to introduce such an approximation, which we dub quantum mean-field (QMF) approach, and which can be readily generalized to a cluster form (cluster QMF or cQMF). The cQMF approximation reduces to cluster mean-field theory at T =0 , while at any finite temperature it produces a family of systematically improved, semi-classical approximations to the quantum statistical mechanics of the lattice theory at hand. Contrary to standard MF approximations, the correct nature of thermal critical phenomena is captured by any cluster size. In the two exemplary cases of the two-dimensional quantum Ising model and of two-dimensional quantum rotors, we study systematically the convergence of the cQMF approximation towards the exact result, and show that the convergence is typically linear or sublinear in the boundary-to-bulk ratio of the clusters as T →0 , while it becomes faster than linear as T grows. These results pave the way towards the development of semiclassical numerical

Self-consistent particle distribution of a bunched beam in RF field

CERN Document Server

Batygin, Y K

2002-01-01

An analytical solution for the self-consistent particle equilibrium distribution in an RF field with transverse focusing is found. The solution is attained in the approximation of a high brightness beam. The distribution function in phase space is determined as a stationary function of the energy integral. Equipartitioning of the beam distribution between degrees of freedom follows directly from the choice of the stationary distribution function. Analytical expressions for r-z equilibrium beam profile and maximum beam current in RF field are obtained.

Self-consistent approach to the eletronic problem in disordered solids

International Nuclear Information System (INIS)

Taguena-Martinez, J.; Barrio, R.A.; Martinez, E.; Yndurain, F.

1984-01-01

It is developed a simple formalism which allows us to perform a self consistent non-parametrized calculation in a non-periodic system, by finding out the thermodynamically averaged Green's function of a cluster Bethe lattice system. (Author) [pt

Remarks on an equation common to Weyl's gauge field, Yang-Mills field and Toda lattice

International Nuclear Information System (INIS)

Nishioka, M.

1984-01-01

In this letter a remark is presented on an equation of a gauge-invariant Weyl's gauge field and it is shown that the equation is common to Yang's approach to the self-duality condition for SU 2 gauge field and the simplest Toda lattice

Configuration mixing of mean-field states

International Nuclear Information System (INIS)

Bender, M; Heenen, P-H

2005-01-01

Starting from self-consistent mean-field models, we discuss how to include correlations from fluctuations in collective degrees of freedom through symmetry restoration and configuration mixing, which give access to ground-state correlations and collective excitations. As an example for the method, we discuss the spectroscopy of neutron-deficient Pb isotopes

Self-consistent radial sheath

International Nuclear Information System (INIS)

Hazeltine, R.D.

1988-12-01

The boundary layer arising in the radial vicinity of a tokamak limiter is examined, with special reference to the TEXT tokamak. It is shown that sheath structure depends upon the self-consistent effects of ion guiding-center orbit modification, as well as the radial variation of E /times/ B-induced toroidal rotation. Reasonable agreement with experiment is obtained from an idealized model which, however simplified, preserves such self-consistent effects. It is argued that the radial sheath, which occurs whenever confining magnetic field-lines lie in the plasma boundary surface, is an object of some intrinsic interest. It differs from the more familiar axial sheath because magnetized charges respond very differently to parallel and perpendicular electric fields. 11 refs., 1 fig

Bicontinuous Phases in Diblock Copolymer/Homopolymer Blends: Simulation and Self-Consistent Field Theory

KAUST Repository

Martínez-Veracoechea, Francisco J.; Escobedo, Fernando A.

2009-01-01

A combination of particle-based simulations and self-consistent field theory (SCFT) is used to study the stabilization of multiple ordered bicontinuous phases in blends of a diblock copolymer (DBC) and a homopolymer. The double-diamond phase (DD

Self-consistent neutral point current and fields from single particle dynamics

International Nuclear Information System (INIS)

Martin, R.F. Jr.

1988-01-01

In order to begin to build a global model of the magnetotail-auroral region interaction, it is of interest to understand the role of neutral points as potential centers of particle energization in the tail. In this paper, the single particle current is calculated near a magnetic neutral point with magnetotail properties. This is balanced with the Ampere's law current producing the magnetic field to obtain the self-consistent electric field for the problem. Also calculated is the current-electric field relationship and, in the regime where this relation is linear, an effective conductivity. Results for these macroscopic quantities are surprisingly similar to the values calculated for a constant normal field current sheet geometry. Application to magnetotail modeling is discussed. 11 references

The accuracy of the time-dependent self-consistent-field approximation for inelastic collisions

DEFF Research Database (Denmark)

Henriksen, Niels Engholm; Billing, Gert D.; Hansen, Flemming Yssing

1992-01-01

We study the accuracy of the time-dependent self-consistent-field approximation for collinear inelastic collisions between an atom and a diatomic molecule. Individual state-to-state transition probabilities, total energy transfer. and the global description of the wavefunction is considered...

Continuum gauge fields from lattice gauge fields

International Nuclear Information System (INIS)

Goeckeler, M.; Kronfeld, A.S.; Schierholz, G.; Wiese, U.J.

1993-01-01

On the lattice some of the salient features of pure gauge theories and of gauge theories with fermions in complex representations of the gauge group seem to be lost. These features can be recovered by considering part of the theory in the continuum. The prerequisite for that is the construction of continuum gauge fields from lattice gauge fields. Such a construction, which is gauge covariant and complies with geometrical constructions of the topological charge on the lattice, is given in this paper. The procedure is explicitly carried out in the U(1) theory in two dimensions, where it leads to simple results. (orig.)

1ST-ORDER NONADIABATIC COUPLING MATRIX-ELEMENTS FROM MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD RESPONSE THEORY

DEFF Research Database (Denmark)

Bak, Keld L.; Jørgensen, Poul; Jensen, H.J.A.

1992-01-01

A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response of a ref......A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response...... to the full configuration interaction limit. Comparisons are made with state-averaged MCSCF results for MgH2 and finite-difference configuration interaction by perturbation with multiconfigurational zeroth-order wave function reflected by interactive process (CIPSI) results for BH....

Self-consistent field theory of protein adsorption in a non-Gaussian polyelectrolyte brush

NARCIS (Netherlands)

Biesheuvel, P.M.; Leermakers, F.A.M.; Stuart, M.A.C.

2006-01-01

To describe adsorption of globular protein molecules in a polyelectrolyte brush we use the strong-stretching approximation of the Edwards self-consistent field equation, combined with corrections for a non-Gaussian brush. To describe chemical potentials in this mixture of (globular) species of

Consistency of lattice definitions of U(1) flux in Abelian projected SU(2) gauge theory

International Nuclear Information System (INIS)

Matsuki, Takayuki; Haymaker, Richard W.

2004-01-01

We reexamine the dual Abrikosov vortex under the requirement that the lattice averages of the fields satisfy exact Maxwell equations [ME]. The electric ME accounts for the total flux and the magnetic ME determines the shape of the confining string. This leads to unique and consistent definitions of flux and electric and magnetic currents at finite lattice spacing. The resulting modification of the standard DeGrand-Toussaint construction gives a magnetic current comprised of smeared monopoles

Dynamical mean field study of the Mott transition in the half-filled Hubbard model on a triangular lattice

OpenAIRE

Aryanpour, K.; Pickett, W. E.; Scalettar, R. T.

2006-01-01

We employ dynamical mean field theory (DMFT) with a Quantum Monte Carlo (QMC) atomic solver to investigate the finite temperature Mott transition in the Hubbard model with the nearest neighbor hopping on a triangular lattice at half-filling. We estimate the value of the critical interaction to be $U_c=12.0 \\pm 0.5$ in units of the hopping amplitude $t$ through the evolution of the magnetic moment, spectral function, internal energy and specific heat as the interaction $U$ and temperature $T$ ...

Ab initio, mean field theory and series expansions calculations study of electronic and magnetic properties of antiferromagnetic MnSe alloys

Energy Technology Data Exchange (ETDEWEB)

Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, BP. 63, 46000 Safi (Morocco); LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Hlil, E.K. [Institut Néel, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble Cedex 9 (France); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Benyoussef, A. [LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Mounkachi, O.; El Moussaoui, H. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

2014-06-01

Self-consistent ab initio calculations, based on DFT (Density Functional Theory) approach and using FLAPW (Full potential Linear Augmented Plane Wave) method, are performed to investigate both electronic and magnetic properties of the MnSe lattice. Polarized spin and spin–orbit coupling are included in calculations within the framework of the antiferromagnetic state between two adjacent Mn lattices. Magnetic moments considered to lie along (001) axes are computed. Obtained data from ab initio calculations are used as input for the high temperature series expansions (HTSEs) calculations to compute other magnetic parameters. The zero-field high temperature static susceptibility series of the spin −4.28 nearest-neighbor Ising model on face centered cubic (fcc) and lattices is thoroughly analyzed by means of a power series coherent anomaly method (CAM). The exchange interaction between the magnetic atoms and the Néel temperature are deduced using the mean filed and HTSEs theories. - Highlights: • Ab initio calculations are used to investigate both electronic and magnetic properties of the MnSe alloys. • Obtained data from ab initio calculations are used as input for the HTSEs. • The Néel temperature is obtained for MnSe alloys.

Virtual-site correlation mean field approach to criticality in spin systems

International Nuclear Information System (INIS)

Sen, Aditi; Sen, Ujjwal

2013-01-01

We propose a virtual-site correlation mean field theory for dealing with interacting many-body systems. It involves a coarse-graining technique that terminates a step before the mean field theory: While mean field theory deals with only single-body physical parameters, the virtual-site correlation mean field theory deals with single- as well as two-body ones, and involves a virtual site for every interaction term in the Hamiltonian. We generalize the theory to a cluster virtual-site correlation mean field, that works with a fundamental unit of the lattice of the many-body system. We apply these methods to interacting Ising spin systems in several lattice geometries and dimensions, and show that the predictions of the onset of criticality of these models are generally much better in the proposed theories as compared to the corresponding ones in mean field theories

Quantum critical point revisited by dynamical mean-field theory

Science.gov (United States)

Xu, Wenhu; Kotliar, Gabriel; Tsvelik, Alexei M.

2017-03-01

Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. The QCP is characterized by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. We use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. By comparing with the calculations based on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.

Self-consistent analysis of radial electric field and fast ion losses in CHS Torsatron/Heliotron

International Nuclear Information System (INIS)

Sanuki, H.; Itoh, K.; Itoh, S.

1992-09-01

A self-consistent analysis is developed to determine the radial electric field and loss cone boundary in Torsatron/Heliotron plasmas under the influence of non-classical ion losses such as the loss cone loss ans charge exchange loss of fast ions with neutrals. Analysis is applied to the NBI heated plasmas in the Compact Helical System (CHS) device. Comparison is made between theoretical results and experimental observations. The increased ion particle losses caused by the orbit loss and charge exchange loss with neutrals make the radial electric field more negative than the value of purely neoclassical calculation. The partition of the injection energy among the shine through, direct orbit loss, change exchange loss and bulk heating is evaluated by using the self-consistent electric field profile. On-going experiments in the CHS device are briefly introduced. (author)

Renormalization group and finite size effects in scalar lattice field theories

International Nuclear Information System (INIS)

Bernreuther, W.; Goeckeler, M.

1988-01-01

Binder's phenomenological renormalization group is studied in the context of the O(N)-symmetric euclidean lattice φ 4 theory in dimensions d ≤ 4. By means of the field theoretical formulation of the renormalization group we analyse suitable ratios of Green functions on finite lattices in the limit where the dimensionless lattice length L >> 1 and where the dimensionless bare mass approaches the critical point of the corresponding infinite volume model. If the infrared-stable fixed point which controls this limit is a simple zero of the β-function we are led to formulae which allow the extraction of the critical exponents ν and η. For the gaussian fixed point in four dimensions, discussed as a known example for a multiple zero of the β-function, we derive for these ratios the leading logarithmic corrections to mean field scaling. (orig.)

Self-consistent Bulge/Disk/Halo Galaxy Dynamical Modeling Using Integral Field Kinematics

Science.gov (United States)

Taranu, D. S.; Obreschkow, D.; Dubinski, J. J.; Fogarty, L. M. R.; van de Sande, J.; Catinella, B.; Cortese, L.; Moffett, A.; Robotham, A. S. G.; Allen, J. T.; Bland-Hawthorn, J.; Bryant, J. J.; Colless, M.; Croom, S. M.; D'Eugenio, F.; Davies, R. L.; Drinkwater, M. J.; Driver, S. P.; Goodwin, M.; Konstantopoulos, I. S.; Lawrence, J. S.; López-Sánchez, Á. R.; Lorente, N. P. F.; Medling, A. M.; Mould, J. R.; Owers, M. S.; Power, C.; Richards, S. N.; Tonini, C.

2017-11-01

We introduce a method for modeling disk galaxies designed to take full advantage of data from integral field spectroscopy (IFS). The method fits equilibrium models to simultaneously reproduce the surface brightness, rotation, and velocity dispersion profiles of a galaxy. The models are fully self-consistent 6D distribution functions for a galaxy with a Sérsic profile stellar bulge, exponential disk, and parametric dark-matter halo, generated by an updated version of GalactICS. By creating realistic flux-weighted maps of the kinematic moments (flux, mean velocity, and dispersion), we simultaneously fit photometric and spectroscopic data using both maximum-likelihood and Bayesian (MCMC) techniques. We apply the method to a GAMA spiral galaxy (G79635) with kinematics from the SAMI Galaxy Survey and deep g- and r-band photometry from the VST-KiDS survey, comparing parameter constraints with those from traditional 2D bulge-disk decomposition. Our method returns broadly consistent results for shared parameters while constraining the mass-to-light ratios of stellar components and reproducing the H I-inferred circular velocity well beyond the limits of the SAMI data. Although the method is tailored for fitting integral field kinematic data, it can use other dynamical constraints like central fiber dispersions and H I circular velocities, and is well-suited for modeling galaxies with a combination of deep imaging and H I and/or optical spectra (resolved or otherwise). Our implementation (MagRite) is computationally efficient and can generate well-resolved models and kinematic maps in under a minute on modern processors.

Non-trivial self-dual gluon configurations in lattice QCD

International Nuclear Information System (INIS)

Bilson-Thompson, S.; Bowman, P.; Bonnet, F.; Leinweber, D.; Williams, A.; Dunne, G.

2000-01-01

Full text: We have investigated the smoothing of gauge fields in SU(3) using a variety of cooling algorithms. A topic of particular interest to such investigations is the behaviour of self-dual field configurations over a large number of cooling sweeps. It is well known that cooling based upon the standard Wilson action is affected by excessively large discretisation errors, leading in the long-term to trivial configurations. This has shifted the research emphasis onto improved actions, which are designed to minimise the discretisation errors that arise on the lattice. The cooling schemes we have investigated have been designed to eliminate O(a 2 ) and O(a 4 ) discretization errors producing an action accurate to order O(a 6 ). An analogously defined improved topological charge operator is used to investigate vacuum instanton dynamics. We used these operators to construct self-dual gluon configurations by cooling until the duality condition S/S 0 |Q| (where S 0 is the single instanton action and Q is the topological charge) is reached. As it is expected from theoretical grounds that Q is always an integer, a range of different actions and topological charge operators are assessed to determine which combination produced a result closest to what we would expect in the continuum. As our lattices have (untwisted) periodic boundary conditions we are particularly interested in investigating the relevance of the Nahm transformation to our results. This is a duality transformation which maps a self-dual SU(N) configuration with topological charge Q on the 4-torus to a self-dual SU(Q) configuration with topological charge N on the dual 4-torus. As there are no instanton solutions in SU(1), the Nahm transformation appears to preclude the existence of a |Q| = 1 self-dual solution on the 4-torus. We have investigated this on the lattice by finding |Q| = 1 configurations and assessing the behaviour of the action and the stability of the topological charge as they cool towards

Fractional Quantum Field Theory: From Lattice to Continuum

Directory of Open Access Journals (Sweden)

Vasily E. Tarasov

2014-01-01

Full Text Available An approach to formulate fractional field theories on unbounded lattice space-time is suggested. A fractional-order analog of the lattice quantum field theories is considered. Lattice analogs of the fractional-order 4-dimensional differential operators are proposed. We prove that continuum limit of the suggested lattice field theory gives a fractional field theory for the continuum 4-dimensional space-time. The fractional field equations, which are derived from equations for lattice space-time with long-range properties of power-law type, contain the Riesz type derivatives on noninteger orders with respect to space-time coordinates.

Surface incompressibility from semiclassical relativistic mean field calculations

International Nuclear Information System (INIS)

Patra, S.K.; Centelles, M.; Vinas, X.; Estal, M. del

2002-01-01

By using the scaling method and the Thomas-Fermi and extended Thomas-Fermi approaches to relativistic mean field theory the surface contribution to the leptodermous expansion of the finite nuclei incompressibility K A has been self-consistently computed. The validity of the simplest expansion, which contains volume, volume-symmetry, surface, and Coulomb terms, is examined by comparing it with self-consistent results of K A for some currently used nonlinear σ-ω parameter sets. A numerical estimate of higher-order contributions to the leptodermous expansion, namely, the curvature and surface-symmetry terms, is made

Engineering the near-field imaging of a rectangular-lattice photonic-crystal slab in the second band

Institute of Scientific and Technical Information of China (English)

无

2009-01-01

Imaging properties of a two-dimensional rectangular-lattice photonic crystal (PC) slab consisting of air holes immersed in a dielectric are studied in this work. The field patterns of electromagnetic waves radiated from a point source through the PC slab are calculated with the finite-difference time-domain method. Comparing the field patterns with the corresponding equifrequency-surface contours simulated by the plane-wave expansion method, we find that an excellent-quality near-field image may be formed through the PC slab by the mechanisms of the simultaneous action of the self-collimation effect and the negative-refraction effect. Near-field imaging may be obtained within two different frequency regions in two vertical directions of the PC slab.

Classification of networks of automata by dynamical mean field theory

International Nuclear Information System (INIS)

Burda, Z.; Jurkiewicz, J.; Flyvbjerg, H.

1990-01-01

Dynamical mean field theory is used to classify the 2 24 =65,536 different networks of binary automata on a square lattice with nearest neighbour interactions. Application of mean field theory gives 700 different mean field classes, which fall in seven classes of different asymptotic dynamics characterized by fixed points and two-cycles. (orig.)

Self-consistent simulation of the CSR effect

International Nuclear Information System (INIS)

Li, R.; Bohn, C.L.; Bisogano, J.J.

1998-01-01

When a microbunch with high charge traverses a curved trajectory, the curvature-induced bunch self-interaction, by way of coherent synchrotron radiation (CSR) and space-charge forces, may cause serious emittance degradation. In this paper, the authors present a self-consistent simulation for the study of the impact of CSR on beam optics. The dynamics of the bunch under the influence of the CSR forces is simulated using macroparticles, where the CSR force in turn depends on the history of bunch dynamics in accordance with causality. The simulation is benchmarked with analytical results obtained for a rigid-line bunch. Here they present the algorithm used in the simulation, along with the simulation results obtained for bending systems in the Jefferson Lab (JLab) free-electron-laser (FEL) lattice

Mean-field theory for a ferroelectric transition

International Nuclear Information System (INIS)

Dobry, A.; Greco, A.; Stachiotti, M.

1990-01-01

For the treatment of anharmonic models of solids presenting structural transitions, a commonly used approximation is that of self-consistent phonons. Rather than the usual site decoupling, this mean-field theory is based on decoupling of modes in reciprocal space. A self-consistent phonon approximation for the non-linear polarizability model is developed in this work. The model describes the dynamical properties of ferroelectric materials. Phase diagrams as a function of relevant model parameters are presented. An analysis is made of critical behaviour and it is shown that the approximation leads to the same anomalies found in other models. (Author). 9 refs., 3 figs

Enriching Elementary Quantum Mechanics with the Computer: Self-Consistent Field Problems in One Dimension

Science.gov (United States)

Bolemon, Jay S.; Etzold, David J.

1974-01-01

Discusses the use of a small computer to solve self-consistent field problems of one-dimensional systems of two or more interacting particles in an elementary quantum mechanics course. Indicates that the calculation can serve as a useful introduction to the iterative technique. (CC)

Self-consistent field theory simulations of polymers on arbitrary domains

Energy Technology Data Exchange (ETDEWEB)

Ouaknin, Gaddiel, E-mail: gaddielouaknin@umail.ucsb.edu [Department of Mechanical Engineering, University of California, Santa Barbara, CA 93106-5070 (United States); Laachi, Nabil; Delaney, Kris [Materials Research Laboratory, University of California, Santa Barbara, CA 93106-5080 (United States); Fredrickson, Glenn H. [Materials Research Laboratory, University of California, Santa Barbara, CA 93106-5080 (United States); Department of Chemical Engineering, University of California, Santa Barbara, CA 93106-5080 (United States); Department of Materials, University of California, Santa Barbara, CA 93106-5050 (United States); Gibou, Frederic [Department of Mechanical Engineering, University of California, Santa Barbara, CA 93106-5070 (United States); Department of Computer Science, University of California, Santa Barbara, CA 93106-5110 (United States)

2016-12-15

We introduce a framework for simulating the mesoscale self-assembly of block copolymers in arbitrary confined geometries subject to Neumann boundary conditions. We employ a hybrid finite difference/volume approach to discretize the mean-field equations on an irregular domain represented implicitly by a level-set function. The numerical treatment of the Neumann boundary conditions is sharp, i.e. it avoids an artificial smearing in the irregular domain boundary. This strategy enables the study of self-assembly in confined domains and enables the computation of physically meaningful quantities at the domain interface. In addition, we employ adaptive grids encoded with Quad-/Oc-trees in parallel to automatically refine the grid where the statistical fields vary rapidly as well as at the boundary of the confined domain. This approach results in a significant reduction in the number of degrees of freedom and makes the simulations in arbitrary domains using effective boundary conditions computationally efficient in terms of both speed and memory requirement. Finally, in the case of regular periodic domains, where pseudo-spectral approaches are superior to finite differences in terms of CPU time and accuracy, we use the adaptive strategy to store chain propagators, reducing the memory footprint without loss of accuracy in computed physical observables.

Pathological behavior of the open-shell restricted self-consistent-field equations

International Nuclear Information System (INIS)

Moscardo, F.; Alvarez-Collado, J.R.

1979-01-01

The possible solutions of open-shell restricted self-consistent-field equations for a doublet are studied for Li and Na atoms, according to the values of the parameters implied in those equations. A similar behavior, characterized by the presence of several variational solutions is observed in both atoms. Some of these solutions can be assigned to excited configurations. Excitation energies are in good agreement with experimental data. Doublet stability for the solutions obtained has been studied, discussing the saddle-point character present in those solutions associated to excited configurations

Linear Scaling Solution of the Time-Dependent Self-Consistent-Field Equations

Directory of Open Access Journals (Sweden)

Matt Challacombe

2014-03-01

Full Text Available A new approach to solving the Time-Dependent Self-Consistent-Field equations is developed based on the double quotient formulation of Tsiper 2001 (J. Phys. B. Dual channel, quasi-independent non-linear optimization of these quotients is found to yield convergence rates approaching those of the best case (single channel Tamm-Dancoff approximation. This formulation is variational with respect to matrix truncation, admitting linear scaling solution of the matrix-eigenvalue problem, which is demonstrated for bulk excitons in the polyphenylene vinylene oligomer and the (4,3 carbon nanotube segment.

Pathological behavior of the open-shell restricted self-consistent-field equations

Energy Technology Data Exchange (ETDEWEB)

Moscardo, F.; Alvarez-Collado, J.R.

1979-02-01

The possible solutions of open-shell restricted self-consistent-field equations for a doublet are studied for Li and Na atoms, according to the values of the parameters implied in those equations. A similar behavior, characterized by the presence of several variational solutions is observed in both atoms. Some of these solutions can be assigned to excited configurations. Excitation energies are in good agreement with experimental data. Doublet stability for the solutions obtained has been studied, discussing the saddle-point character present in those solutions associated to excited configurations.

Quantum critical point revisited by dynamical mean-field theory

International Nuclear Information System (INIS)

Xu, Wenhu; Kotliar, Gabriel; Rutgers University, Piscataway, NJ; Tsvelik, Alexei M.

2017-01-01

Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. We characterize the QCP by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. Here, we use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. Furthermore, by comparing with the calculations based on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.

Self consistent field theory of virus assembly

Science.gov (United States)

Li, Siyu; Orland, Henri; Zandi, Roya

2018-04-01

The ground state dominance approximation (GSDA) has been extensively used to study the assembly of viral shells. In this work we employ the self-consistent field theory (SCFT) to investigate the adsorption of RNA onto positively charged spherical viral shells and examine the conditions when GSDA does not apply and SCFT has to be used to obtain a reliable solution. We find that there are two regimes in which GSDA does work. First, when the genomic RNA length is long enough compared to the capsid radius, and second, when the interaction between the genome and capsid is so strong that the genome is basically localized next to the wall. We find that for the case in which RNA is more or less distributed uniformly in the shell, regardless of the length of RNA, GSDA is not a good approximation. We observe that as the polymer-shell interaction becomes stronger, the energy gap between the ground state and first excited state increases and thus GSDA becomes a better approximation. We also present our results corresponding to the genome persistence length obtained through the tangent-tangent correlation length and show that it is zero in case of GSDA but is equal to the inverse of the energy gap when using SCFT.

Towards a fully self-consistent inversion combining historical and paleomagnetic data for geomagnetic field reconstructions

Science.gov (United States)

Arneitz, P.; Leonhardt, R.; Fabian, K.; Egli, R.

2017-12-01

Historical and paleomagnetic data are the two main sources of information about the long-term geomagnetic field evolution. Historical observations extend to the late Middle Ages, and prior to the 19th century, they consisted mainly of pure declination measurements from navigation and orientation logs. Field reconstructions going back further in time rely solely on magnetization acquired by rocks, sediments, and archaeological artefacts. The combined dataset is characterized by a strongly inhomogeneous spatio-temporal distribution and highly variable data reliability and quality. Therefore, an adequate weighting of the data that correctly accounts for data density, type, and realistic error estimates represents the major challenge for an inversion approach. Until now, there has not been a fully self-consistent geomagnetic model that correctly recovers the variation of the geomagnetic dipole together with the higher-order spherical harmonics. Here we present a new geomagnetic field model for the last 4 kyrs based on historical, archeomagnetic and volcanic records. The iterative Bayesian inversion approach targets the implementation of reliable error treatment, which allows different record types to be combined in a fully self-consistent way. Modelling results will be presented along with a thorough analysis of model limitations, validity and sensitivity.

Self-consistent model of confinement

International Nuclear Information System (INIS)

Swift, A.R.

1988-01-01

A model of the large-spatial-distance, zero--three-momentum, limit of QCD is developed from the hypothesis that there is an infrared singularity. Single quarks and gluons do not propagate because they have infinite energy after renormalization. The Hamiltonian formulation of the path integral is used to quantize QCD with physical, nonpropagating fields. Perturbation theory in the infrared limit is simplified by the absence of self-energy insertions and by the suppression of large classes of diagrams due to vanishing propagators. Remaining terms in the perturbation series are resummed to produce a set of nonlinear, renormalizable integral equations which fix both the confining interaction and the physical propagators. Solutions demonstrate the self-consistency of the concepts of an infrared singularity and nonpropagating fields. The Wilson loop is calculated to provide a general proof of confinement. Bethe-Salpeter equations for quark-antiquark pairs and for two gluons have finite-energy solutions in the color-singlet channel. The choice of gauge is addressed in detail. Large classes of corrections to the model are discussed and shown to support self-consistency

Alfven-wave particle interaction in finite-dimensional self-consistent field model

International Nuclear Information System (INIS)

Padhye, N.; Horton, W.

1998-01-01

A low-dimensional Hamiltonian model is derived for the acceleration of ions in finite amplitude Alfven waves in a finite pressure plasma sheet. The reduced low-dimensional wave-particle Hamiltonian is useful for describing the reaction of the accelerated ions on the wave amplitudes and phases through the self-consistent fields within the envelope approximation. As an example, the authors show for a single Alfven wave in the central plasma sheet of the Earth's geotail, modeled by the linear pinch geometry called the Harris sheet, the time variation of the wave amplitude during the acceleration of fast protons

Generalized quantum mean-field systems and their application to ultracold atoms

International Nuclear Information System (INIS)

Trimborn-Witthaut, Friederike Annemarie

2011-01-01

Strongly interacting many-body systems consisting of a large number of indistinguishable particles play an important role in many areas of physics. Though such systems are hard to deal with theoretically since the dimension of the respective Hilbert space increases exponentially both in the particle number and in the number of system modes. Therefore, approximations are of considerable interest. The mean-field approximation describes the behaviour in the macroscopic limit N→∞, which leads to an effective nonlinear single-particle problem. Although this approximation is widely used, rigorous results on the applicability and especially on finite size corrections are extremely rare. One prominent example of strongly interacting many-body systems are ultracold atoms in optical lattices, which are a major subject of this thesis. Typically these systems consist of a large but well-defined number of particles, such that corrections to the mean-field limit can be systematically studied. This thesis is divided into two parts: In the first part we study generalized quantum mean-field systems in a C * -algebraic framework. These systems are characterized by their intrinsic permutation symmetry. In the limit of infinite system size, N→∞, the intensive observables converge to the commutative algebra of weak * -continuous functions on the single particle state space. To quantify the deviations from the meanfield prediction for large but finite N, we establish a differential calculus for state space functions and provide a generalized Taylor expansion around the mean-field limit. Furthermore, we introduce the algebra of macroscopic fluctuations around the mean-field limit and prove a quantum version of the central limit theorem. On the basis of these results, we give a detailed study of the finite size corrections to the ground state energy and establish bounds, for both the quantum and the classical case. Finally, we restrict ourselves to the subspace of Bose

Total energy calculation of perovskite, BaTiO3, by self-consistent

Indian Academy of Sciences (India)

Unknown

rgy, lattice constant, density of states, band structure etc using self-consistent tight binding method. ... share the paraelectric simple-cubic perovskite structure .... of neighbouring ions. In order to find the ground state, we solve the variation problem, minimizing Etot with respect to the coefficients, .*,λµ ic. The final equation is.

Self-consistent asset pricing models

Science.gov (United States)

Malevergne, Y.; Sornette, D.

2007-08-01

We discuss the foundations of factor or regression models in the light of the self-consistency condition that the market portfolio (and more generally the risk factors) is (are) constituted of the assets whose returns it is (they are) supposed to explain. As already reported in several articles, self-consistency implies correlations between the return disturbances. As a consequence, the alphas and betas of the factor model are unobservable. Self-consistency leads to renormalized betas with zero effective alphas, which are observable with standard OLS regressions. When the conditions derived from internal consistency are not met, the model is necessarily incomplete, which means that some sources of risk cannot be replicated (or hedged) by a portfolio of stocks traded on the market, even for infinite economies. Analytical derivations and numerical simulations show that, for arbitrary choices of the proxy which are different from the true market portfolio, a modified linear regression holds with a non-zero value αi at the origin between an asset i's return and the proxy's return. Self-consistency also introduces “orthogonality” and “normality” conditions linking the betas, alphas (as well as the residuals) and the weights of the proxy portfolio. Two diagnostics based on these orthogonality and normality conditions are implemented on a basket of 323 assets which have been components of the S&P500 in the period from January 1990 to February 2005. These two diagnostics show interesting departures from dynamical self-consistency starting about 2 years before the end of the Internet bubble. Assuming that the CAPM holds with the self-consistency condition, the OLS method automatically obeys the resulting orthogonality and normality conditions and therefore provides a simple way to self-consistently assess the parameters of the model by using proxy portfolios made only of the assets which are used in the CAPM regressions. Finally, the factor decomposition with the

Self-consistent field theory of collisions: Orbital equations with asymptotic sources and self-averaged potentials

Energy Technology Data Exchange (ETDEWEB)

Hahn, Y.K., E-mail: ykhahn22@verizon.net

2014-12-15

The self-consistent field theory of collisions is formulated, incorporating the unique dynamics generated by the self-averaged potentials. The bound state Hartree–Fock approach is extended for the first time to scattering states, by properly resolving the principal difficulties of non-integrable continuum orbitals and imposing complex asymptotic conditions. The recently developed asymptotic source theory provides the natural theoretical basis, as the asymptotic conditions are completely transferred to the source terms and the new scattering function is made fullyintegrable. The scattering solutions can then be directly expressed in terms of bound state HF configurations, establishing the relationship between the bound and scattering state solutions. Alternatively, the integrable spin orbitals are generated by constructing the individual orbital equations that contain asymptotic sources and self-averaged potentials. However, the orbital energies are not determined by the equations, and a special channel energy fixing procedure is developed to secure the solutions. It is also shown that the variational construction of the orbital equations has intrinsic ambiguities that are generally associated with the self-consistent approach. On the other hand, when a small subset of open channels is included in the source term, the solutions are only partiallyintegrable, but the individual open channels can then be treated more simply by properly selecting the orbital energies. The configuration mixing and channel coupling are then necessary to complete the solution. The new theory improves the earlier continuum HF model. - Highlights: • First extension of HF to scattering states, with proper asymptotic conditions. • Orbital equations with asymptotic sources and integrable orbital solutions. • Construction of self-averaged potentials, and orbital energy fixing. • Channel coupling and configuration mixing, involving the new orbitals. • Critical evaluation of the

The Plumber’s Nightmare Phase in Diblock Copolymer/Homopolymer Blends. A Self-Consistent Field Theory Study.

KAUST Repository

Martinez-Veracoechea, Francisco J.

2009-11-24

Using self-consistent field theory, the Plumber\\'s Nightmare and the double diamond phases are predicted to be stable in a finite region of phase diagrams for blends of AB diblock copolymer (DBC) and A-component homopolymer. To the best of our knowledge, this is the first time that the P phase has been predicted to be stable using self-consistent field theory. The stabilization is achieved by tuning the composition or conformational asymmetry of the DBC chain, and the architecture or length of the homopolymer. The basic features of the phase diagrams are the same in all cases studied, suggesting a general type of behavior for these systems. Finally, it is noted that the homopolymer length should be a convenient variable to stabilize bicontinuous phases in experiments. © 2009 American Chemical Society.

First principles molecular dynamics without self-consistent field optimization

International Nuclear Information System (INIS)

Souvatzis, Petros; Niklasson, Anders M. N.

2014-01-01

We present a first principles molecular dynamics approach that is based on time-reversible extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] in the limit of vanishing self-consistent field optimization. The optimization-free dynamics keeps the computational cost to a minimum and typically provides molecular trajectories that closely follow the exact Born-Oppenheimer potential energy surface. Only one single diagonalization and Hamiltonian (or Fockian) construction are required in each integration time step. The proposed dynamics is derived for a general free-energy potential surface valid at finite electronic temperatures within hybrid density functional theory. Even in the event of irregular functional behavior that may cause a dynamical instability, the optimization-free limit represents a natural starting guess for force calculations that may require a more elaborate iterative electronic ground state optimization. Our optimization-free dynamics thus represents a flexible theoretical framework for a broad and general class of ab initio molecular dynamics simulations

Surface-assisted DNA self-assembly: An enzyme-free strategy towards formation of branched DNA lattice

International Nuclear Information System (INIS)

Bhanjadeo, Madhabi M.; Nayak, Ashok K.; Subudhi, Umakanta

2017-01-01

DNA based self-assembled nanostructures and DNA origami has proven useful for organizing nanomaterials with firm precision. However, for advanced applications like nanoelectronics and photonics, large-scale organization of self-assembled branched DNA (bDNA) into periodic lattices is desired. In this communication for the first time we report a facile method of self-assembly of Y-shaped bDNA nanostructures on the cationic surface of Aluminum (Al) foil to prepare periodic two dimensional (2D) bDNA lattice. Particularly those Y-shaped bDNA structures having smaller overhangs and unable to self-assemble in solution, they are easily assembled on the surface of Al foil in the absence of ligase. Field emission scanning electron microscopy (FESEM) analysis shows homogenous distribution of two-dimensional bDNA lattices across the Al foil. When the assembled bDNA structures were recovered from the Al foil and electrophoresed in nPAGE only higher order polymeric bDNA structures were observed without a trace of monomeric structures which confirms the stability and high yield of the bDNA lattices. Therefore, this enzyme-free economic and efficient strategy for developing bDNA lattices can be utilized in assembling various nanomaterials for functional molecular components towards development of DNA based self-assembled nanodevices. - Highlights: • Al foil surface-assisted self-assembly of monomeric structures into larger branched DNA lattice. • FESEM study confirms the uniform distribution of two-dimensional bDNA lattice structures across the surface of Al foil. • Enzyme-free and economic strategy to prepare higher order structures from simpler DNA nanostructures have been confirmed by recovery assay. • Use of well proven sequences for the preparation of pure Y-shaped monomeric DNA nanostructure with high yield.

Self-Consistent Model of Magnetospheric Electric Field, Ring Current, Plasmasphere, and Electromagnetic Ion Cyclotron Waves: Initial Results

Science.gov (United States)

Gamayunov, K. V.; Khazanov, G. V.; Liemohn, M. W.; Fok, M.-C.; Ridley, A. J.

2009-01-01

Further development of our self-consistent model of interacting ring current (RC) ions and electromagnetic ion cyclotron (EMIC) waves is presented. This model incorporates large scale magnetosphere-ionosphere coupling and treats self-consistently not only EMIC waves and RC ions, but also the magnetospheric electric field, RC, and plasmasphere. Initial simulations indicate that the region beyond geostationary orbit should be included in the simulation of the magnetosphere-ionosphere coupling. Additionally, a self-consistent description, based on first principles, of the ionospheric conductance is required. These initial simulations further show that in order to model the EMIC wave distribution and wave spectral properties accurately, the plasmasphere should also be simulated self-consistently, since its fine structure requires as much care as that of the RC. Finally, an effect of the finite time needed to reestablish a new potential pattern throughout the ionosphere and to communicate between the ionosphere and the equatorial magnetosphere cannot be ignored.

On the continuum limit of a Z4 lattice gauge theory

International Nuclear Information System (INIS)

Pena, A.; Socolovsky, M.

1983-01-01

The continuum limit of a Z 4 gauge plus matter lattice theory is identified with massless scalar and vector fields with quartic self-interactions phi 4 and (AμAμ) 2 , respectively. The analysis is based on the mean field approximation after gauge fixing. (orig.)

Lattice formulation of a two-dimensional topological field theory

International Nuclear Information System (INIS)

Ohta, Kazutoshi; Takimi, Tomohisa

2007-01-01

We investigate an integrable property and the observables of 2-dimensional N=(4,4) topological field theory defined on a discrete lattice by using the 'orbifolding' and 'deconstruction' methods. We show that our lattice model is integrable and, for this reason, the partition function reduces to matrix integrals of scalar fields on the lattice sites. We elucidate meaningful differences between a discrete lattice and a differentiable manifold. This is important for studying topological quantities on a lattice. We also propose a new construction of N=(2,2) supersymmetric lattice theory, which is realized through a suitable truncation of scalar fields from the N=(4,4) theory. (author)

Fields on a random lattice

International Nuclear Information System (INIS)

Itzykson, C.

1983-10-01

We review the formulation of field theory and statistical mechanics on a Poissonian random lattice. Topics discussed include random geometry, the construction of field equations for arbitrary spin, the free field spectrum and the question of localization illustrated in the one dimensional case

Multiconfigurational self-consistent field calculations of nuclear shieldings using London atomic orbitals

DEFF Research Database (Denmark)

Ruud, Kenneth; Helgaker, Trygve; Kobayashi, Rika

1994-01-01

to corresponding individual gauges for localized orbitals (IGLO) results. The London results show better basis set convergence than IGLO, especially for heavier atoms. It is shown that the choice of active space is crucial for determination of accurate nuclear shielding constants.......Nuclear shielding calculations are presented for multiconfigurational self-consistent field wave functions using London atomic orbitals (gauge invariant atomic orbitals). Calculations of nuclear shieldings for eight molecules (H2O, H2S, CH4, N2, CO, HF, F2, and SO2) are presented and compared...

Advanced resonance self-shielding method for gray resonance treatment in lattice physics code GALAXY

International Nuclear Information System (INIS)

Koike, Hiroki; Yamaji, Kazuya; Kirimura, Kazuki; Sato, Daisuke; Matsumoto, Hideki; Yamamoto, Akio

2012-01-01

A new resonance self-shielding method based on the equivalence theory is developed for general application to the lattice physics calculations. The present scope includes commercial light water reactor (LWR) design applications which require both calculation accuracy and calculation speed. In order to develop the new method, all the calculation processes from cross-section library preparation to effective cross-section generation are reviewed and reframed by adopting the current enhanced methodologies for lattice calculations. The new method is composed of the following four key methods: (1) cross-section library generation method with a polynomial hyperbolic tangent formulation, (2) resonance self-shielding method based on the multi-term rational approximation for general lattice geometry and gray resonance absorbers, (3) spatially dependent gray resonance self-shielding method for generation of intra-pellet power profile and (4) integrated reaction rate preservation method between the multi-group and the ultra-fine-group calculations. From the various verifications and validations, applicability of the present resonance treatment is totally confirmed. As a result, the new resonance self-shielding method is established, not only by extension of a past concentrated effort in the reactor physics research field, but also by unification of newly developed unique and challenging techniques for practical application to the lattice physics calculations. (author)

Mean link versus average plaquette tadpoles in lattice NRQCD

Science.gov (United States)

Shakespeare, Norman H.; Trottier, Howard D.

1999-03-01

We compare mean-link and average plaquette tadpole renormalization schemes in the context of the quarkonium hyperfine splittings in lattice NRQCD. Simulations are done for the three quarkonium systems c overlinec, b overlinec, and b overlineb. The hyperfine splittings are computed both at leading and at next-to-leading order in the relativistic expansion. Results are obtained at a large number of lattice spacings. A number of features emerge, all of which favor tadpole renormalization using mean links. This includes much better scaling of the hyperfine splittings in the three quarkonium systems. We also find that relativistic corrections to the spin splittings are smaller with mean-link tadpoles, particularly for the c overlinec and b overlinec systems. We also see signs of a breakdown in the NRQCD expansion when the bare quark mass falls below about one in lattice units (with the bare quark masses turning out to be much larger with mean-link tadpoles).

Mean link versus average plaquette tadpoles in lattice NRQCD

International Nuclear Information System (INIS)

Shakespeare, Norman H.; Trottier, Howard D.

1999-01-01

We compare mean-link and average plaquette tadpole renormalization schemes in the context of the quarkonium hyperfine splittings in lattice NRQCD. Simulations are done for the three quarkonium systems cc-bar, bc-bar, and bb-bar. The hyperfine splittings are computed both at leading and at next-to-leading order in the relativistic expansion. Results are obtained at a large number of lattice spacings. A number of features emerge, all of which favor tadpole renormalization using mean links. This includes much better scaling of the hyperfine splittings in the three quarkonium systems. We also find that relativistic corrections to the spin splittings are smaller with mean-link tadpoles, particularly for the cc-bar and bc-bar systems. We also see signs of a breakdown in the NRQCD expansion when the bare quark mass falls below about one in lattice units (with the bare quark masses turning out to be much larger with mean-link tadpoles)

Mean link versus average plaquette tadpoles in lattice NRQCD

Energy Technology Data Exchange (ETDEWEB)

Shakespeare, Norman H.; Trottier, Howard D

1999-03-01

We compare mean-link and average plaquette tadpole renormalization schemes in the context of the quarkonium hyperfine splittings in lattice NRQCD. Simulations are done for the three quarkonium systems cc-bar, bc-bar, and bb-bar. The hyperfine splittings are computed both at leading and at next-to-leading order in the relativistic expansion. Results are obtained at a large number of lattice spacings. A number of features emerge, all of which favor tadpole renormalization using mean links. This includes much better scaling of the hyperfine splittings in the three quarkonium systems. We also find that relativistic corrections to the spin splittings are smaller with mean-link tadpoles, particularly for the cc-bar and bc-bar systems. We also see signs of a breakdown in the NRQCD expansion when the bare quark mass falls below about one in lattice units (with the bare quark masses turning out to be much larger with mean-link tadpoles)

The Plumber’s Nightmare Phase in Diblock Copolymer/Homopolymer Blends. A Self-Consistent Field Theory Study.

KAUST Repository

Martinez-Veracoechea, Francisco J.; Escobedo, Fernando A.

2009-01-01

Using self-consistent field theory, the Plumber's Nightmare and the double diamond phases are predicted to be stable in a finite region of phase diagrams for blends of AB diblock copolymer (DBC) and A-component homopolymer. To the best of our

Self-consistent theory of a harmonic gyroklystron with a minimum Q cavity

International Nuclear Information System (INIS)

Tran, T.M.; Kreischer, K.E.; Temkin, R.J.

1986-01-01

In this paper, the energy extraction stage of the gyroklystron [in Advances in Electronics and Electron Physics, edited by C. Marton (Academic, New York, 1979), Vol. 1, pp. 1--54], with a minimum Q cavity is investigated by using a self-consistent radio-frequency (rf) field model. In the low-field, low-current limit, expressions for the self-consistent field and the resulting energy extraction efficiency are derived analytically for an arbitrary cyclotron harmonic number. To our knowledge, these are the first analytic results for the self-consistent field structure and efficiency of a gyrotron device. The large signal regime analysis is carried out by numerically integrating the coupled self-consistent equations. Several examples in this regime are presented

Effective field theory of interactions on the lattice

DEFF Research Database (Denmark)

Valiente, Manuel; Zinner, Nikolaj T.

2015-01-01

We consider renormalization of effective field theory interactions by discretizing the continuum on a tight-binding lattice. After studying the one-dimensional problem, we address s-wave collisions in three dimensions and relate the bare lattice coupling constants to the continuum coupling consta...... constants. Our method constitutes a very simple avenue for the systematic renormalization in effective field theory, and is especially useful as the number of interaction parameters increases.......We consider renormalization of effective field theory interactions by discretizing the continuum on a tight-binding lattice. After studying the one-dimensional problem, we address s-wave collisions in three dimensions and relate the bare lattice coupling constants to the continuum coupling...

Calculation of Self-consistent Radial Electric Field in Presence of Convective Electron Transport in a Stellarator

International Nuclear Information System (INIS)

Kernbichler, W.; Heyn, M.F.; Kasilov, S.V.

2003-01-01

Convective transport of supra-thermal electrons can play a significant role in the energy balance of stellarators in case of high power electron cyclotron heating. Here, together with neoclassical thermal particle fluxes also the supra-thermal electron flux should be taken into account in the flux ambipolarity condition, which defines the self-consistent radial electric field. Since neoclassical particle fluxes are non-linear functions of the radial electric field, one needs an iterative procedure to solve the ambipolarity condition, where the supra-thermal electron flux has to be calculated for each iteration. A conventional Monte-Carlo method used earlier for evaluation of supra-thermal electron fluxes is rather slow for performing the iterations in reasonable computer time. In the present report, the Stochastic Mapping Technique (SMT), which is more effective than the conventional Monte Carlo method, is used instead. Here, the problem with a local monoenergetic supra-thermal particle source is considered and the effect of supra-thermal electron fluxes on both, the self-consistent radial electric field and the formation of different roots of the ambipolarity condition are studied

Commutativity of the source generation procedure and integrable semi-discretizations: the two-dimensional Leznov lattice

International Nuclear Information System (INIS)

Hu Juan; Yu Guofu; Tam, Hon-Wah

2012-01-01

The source generation procedure (SGP) is applied to a y-directional discrete version and an x-directional discrete version of the Leznov lattice. Consequently, a y-discrete Leznov lattice equation with self-consistent sources (y-discrete Leznov ESCS) and an x-discrete Leznov ESCS are presented. Also utilizing the SGP, a new type of Leznov lattice equation with self-consistent sources (new Leznov ESCS) is derived. It is interesting that the two semi-discrete Leznov ESCS produced constitute a y-discretization for the Leznov ESCS given by Wang et al (2007 J. Phys. A: Math. Theor. 40 12691) and an x-discretization for the new Leznov ESCS, respectively. This means that the commutativity of SGP and integrable semi-discretizations is valid for the two-dimensional Leznov lattice equation. (paper)

Self-avoiding walk on a square lattice with correlated vacancies

Science.gov (United States)

Cheraghalizadeh, J.; Najafi, M. N.; Mohammadzadeh, H.; Saber, A.

2018-04-01

The self-avoiding walk on the square site-diluted correlated percolation lattice is considered. The Ising model is employed to realize the spatial correlations of the metric space. As a well-accepted result, the (generalized) Flory's mean-field relation is tested to measure the effect of correlation. After exploring a perturbative Fokker-Planck-like equation, we apply an enriched Rosenbluth Monte Carlo method to study the problem. To be more precise, the winding angle analysis is also performed from which the diffusivity parameter of Schramm-Loewner evolution theory (κ ) is extracted. We find that at the critical Ising (host) system, the exponents are in agreement with Flory's approximation. For the off-critical Ising system, we find also a behavior for the fractal dimension of the walker trace in terms of the correlation length of the Ising system ξ (T ) , i.e., DFSAW(T ) -DFSAW(Tc) ˜1/√{ξ (T ) } .

Working Group Report: Lattice Field Theory

Energy Technology Data Exchange (ETDEWEB)

Blum, T.; et al.,

2013-10-22

This is the report of the Computing Frontier working group on Lattice Field Theory prepared for the proceedings of the 2013 Community Summer Study ("Snowmass"). We present the future computing needs and plans of the U.S. lattice gauge theory community and argue that continued support of the U.S. (and worldwide) lattice-QCD effort is essential to fully capitalize on the enormous investment in the high-energy physics experimental program. We first summarize the dramatic progress of numerical lattice-QCD simulations in the past decade, with some emphasis on calculations carried out under the auspices of the U.S. Lattice-QCD Collaboration, and describe a broad program of lattice-QCD calculations that will be relevant for future experiments at the intensity and energy frontiers. We then present details of the computational hardware and software resources needed to undertake these calculations.

A mean field approach to the Ising chain in a transverse magnetic field

Science.gov (United States)

Osácar, C.; Pacheco, A. F.

2017-07-01

We evaluate a mean field method to describe the properties of the ground state of the Ising chain in a transverse magnetic field. Specifically, a method of the Bethe-Peierls type is used by solving spin blocks with a self-consistency condition at the borders. The computations include the critical point for the phase transition, exponent of magnetisation and energy density. All results are obtained using basic quantum mechanics at an undergraduate level. The advantages and the limitations of the approach are emphasised.

Mean field theory for a balanced hypercolumn model of orientation selectivity in primary visual cortex

DEFF Research Database (Denmark)

Lerchner, Alexander; Sterner, G.; Hertz, J.

2006-01-01

We present a complete mean field theory for a balanced state of a simple model of an orientation hypercolumn, with a numerical procedure for solving the mean-field equations quantitatively. With our treatment, one can determine self-consistently both the firing rates and the firing correlations...

Lattice worldline representation of correlators in a background field

International Nuclear Information System (INIS)

Epelbaum, Thomas; Gelis, François; Wu, Bin

2015-01-01

We use a discrete worldline representation in order to study the continuum limit of the one-loop expectation value of dimension two and four local operators in a background field. We illustrate this technique in the case of a scalar field coupled to a non-Abelian background gauge field. The first two coefficients of the expansion in powers of the lattice spacing can be expressed as sums over random walks on a d-dimensional cubic lattice. Using combinatorial identities for the distribution of the areas of closed random walks on a lattice, these coefficients can be turned into simple integrals. Our results are valid for an anisotropic lattice, with arbitrary lattice spacings in each direction.

Einstein causal quantum fields on lattices with discrete Lorentz invariance

International Nuclear Information System (INIS)

Baumgaertel, H.

1986-01-01

Results on rigorous construction of quantum fields on the hypercubic lattice Z 4 considered as a lattice in the Minkowski space R 4 are presented. Two associated fields are constructed: The first one having on the lattice points of Z 4 is causal and Poincare invariant in the discrete sense. The second one is an interpolating field over R 4 which is pointlike, translationally covariant and spectral in such a manner that the 'real' lattices field is the restriction of the interpolating field to Z 4 . Furthermore, results on a rigorous perturbation theory of such fields are mentioned

Studies of self-consistent field structure in a quasi-optical gyrotron

International Nuclear Information System (INIS)

Antonsen, T.M. Jr.

1993-04-01

The presence of an electron beam in a quasi-optical gyrotron cavity alters the structure of the fields from that of the empty cavity. A computer code has been written which calculates this alteration for either an electron beam or a thin dielectric tube placed in the cavity. Experiments measuring the quality factor of such a cavity performed for the case of a dielectric tube and the results agree with the predictions of the code. Simulations of the case of an electron beam indicate that self-consistent effects can be made small in that almost all the power leaves the cavity in a symmetric gaussian-like mode provided the resonator parameters are chosen carefully. (author) 6 figs., 1 tab., 13 refs

Adsorption of molecular brushes with polyelectrolyte backbones onto oppositely charged surfaces: A self-consistent field theory

NARCIS (Netherlands)

Feuz, L.; Leermakers, F.A.M.; Textor, M.; Borisov, O.V.

2008-01-01

The two-gradient version of the Scheutjens¿Fleer self-consistent field (SF-SCF) theory is employed to model the interaction between a molecular bottle brush with a polyelectrolyte backbone and neutral hydrophilic side chains and an oppositely charged surface. Our system mimics graft-copolymers with

Electronic structure of disordered alloys - I: self-consistent cluster CPA incorporating off-diagonal disorder and short-range order

International Nuclear Information System (INIS)

Kumar, V.; Mookerjee, A.; Srivastava, V.K.

1980-09-01

We have developed here a self-consistent coherent potential approximation generalized to take into account effect of clusters. Off-diagonal disorder and short-range order are taken into account. A graphical method married to the recursion technique, enables us to work on realistic three-dimensional lattices. Calculations are shown for a binary alloy on a diamond lattice. (author)

Quantum Critical Point revisited by the Dynamical Mean Field Theory

Science.gov (United States)

Xu, Wenhu; Kotliar, Gabriel; Tsvelik, Alexei

Dynamical mean field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. The QCP is characterized by a universal scaling form of the self energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low energy kink and the high energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high energy antiferromagnetic paramagnons. We use the frequency dependent four-point correlation function of spin operators to calculate the momentum dependent correction to the electron self energy. Our results reveal a substantial difference with the calculations based on the Spin-Fermion model which indicates that the frequency dependence of the the quasiparitcle-paramagnon vertices is an important factor. The authors are supported by Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy under DOE Grant DE-FOA-0001276.

Matching fields and lattice points of simplices

OpenAIRE

Loho, Georg; Smith, Ben

2018-01-01

We show that the Chow covectors of a linkage matching field define a bijection of lattice points and we demonstrate how one can recover the linkage matching field from this bijection. This resolves two open questions from Sturmfels & Zelevinsky (1993) on linkage matching fields. For this, we give an explicit construction that associates a bipartite incidence graph of an ordered partition of a common set to all lattice points in a dilated simplex. Given a triangulation of a product of two simp...

Analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field method

Directory of Open Access Journals (Sweden)

N.Yoshida

2007-09-01

Full Text Available An analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field (MOZ-SCF method is presented. MOZ-SCF theory is one of the theories to considering the solvent effects on the solute electronic structure in solution. [Yoshida N. et al., J. Chem. Phys., 2000, 113, 4974] Molecular geometries of water, formaldehyde, acetonitrile and acetone in water are optimized by analytical energy gradient formula. The results are compared with those from the polarizable continuum model (PCM, the reference interaction site model (RISM-SCF and the three dimensional (3D RISM-SCF.

A self consistent study of the phase transition in the scalar electroweak theory at finite temperature

International Nuclear Information System (INIS)

Kerres, U.; Mack, G.; Palma, G.

1994-12-01

We propose the study of the phase transition in the scalar electroweak theory at finite temperature by a two-step method. It combines i) dimensional reduction to a 3-dimensional lattice theory via perturbative blockspin transformation, and ii) either further real space renormalization group transformations, or solution of gap equations, for the 3d lattice theory. A gap equation can be obtained by using the Peierls inequality to find the best quadratic approximation to the 3d action. This method avoids the lack of self consistency of the usual treatments which do not separate infrared and UV-problems by introduction of a lattice cutoff. The effective 3d lattice action could also be used in computer simulations. (orig.)

A self consistent study of the phase transition in the scalar electroweak theory at finite temperature

International Nuclear Information System (INIS)

Kerres, U.

1995-01-01

We propose the study of the phase transition in the scalar electroweak theory at finite temperature by a two-step method. It combines i) dimensional reduction to a 3-dimensional lattice theory via perturbative blockspin transformation, and ii) either further real space renormalization group transformations, or solution of gap equations, for the 3d lattice theory. A gap equation can be obtained by using the Peierls inequality to find the best quadratic approximation to the 3d action. This method avoids the lack of self consistency of the usual treatments which do not separate infrared and UV-problems by introduction of a lattice cutoff. The effective 3d lattice action could also be used in computer simulations. ((orig.))

Modeling of the 3RS tau protein with self-consistent field method and Monte Carlo simulation

NARCIS (Netherlands)

Leermakers, F.A.M.; Jho, Y.S.; Zhulina, E.B.

2010-01-01

Using a model with amino acid resolution of the 196 aa N-terminus of the 3RS tau protein, we performed both a Monte Carlo study and a complementary self-consistent field (SCF) analysis to obtain detailed information on conformational properties of these moieties near a charged plane (mimicking the

Shapes and dynamics from the time-dependent mean field

International Nuclear Information System (INIS)

Stevenson, P.D.; Goddard, P.M.; Rios, A.

2015-01-01

Explaining observed properties in terms of underlying shape degrees of freedom is a well-established prism with which to understand atomic nuclei. Self-consistent mean-field models provide one tool to understand nuclear shapes, and their link to other nuclear properties and observables. We present examples of how the time-dependent extension of the mean-field approach can be used in particular to shed light on nuclear shape properties, particularly looking at the giant resonances built on deformed nuclear ground states, and at dynamics in highly-deformed fission isomers. Example calculations are shown of 28 Si in the first case, and 240 Pu in the latter case

Quark number density and susceptibility calculation with one correction in mean field potential

International Nuclear Information System (INIS)

Singh, S. Somorendro

2016-01-01

We calculate quark number density and susceptibility of a model which has one loop correction in mean field potential. The calculation shows continuous increasing in the number density and susceptibility up to the temperature T = 0.4 GeV. Then the value of number density and susceptibility approach to the lattice result for higher value of temperature. The result indicates that the calculated values of the model fit well and the result increase the temperature to reach the lattice data with the one loop correction in the mean field potential. (author)

A relativistic self-consistent model for studying enhancement of space charge limited field emission due to counter-streaming ions

International Nuclear Information System (INIS)

Lin, M. C.; Lu, P. S.; Chang, P. C.; Ragan-Kelley, B.; Verboncoeur, J. P.

2014-01-01

Recently, field emission has attracted increasing attention despite the practical limitation that field emitters operate below the Child-Langmuir space charge limit. By introducing counter-streaming ion flow to neutralize the electron charge density, the space charge limited field emission (SCLFE) current can be dramatically enhanced. In this work, we have developed a relativistic self-consistent model for studying the enhancement of SCLFE by a counter-streaming ion current. The maximum enhancement is found when the ion effect is saturated, as shown analytically. The solutions in non-relativistic, intermediate, and ultra-relativistic regimes are obtained and verified with 1-D particle-in-cell simulations. This self-consistent model is general and can also serve as a benchmark or comparison for verification of simulation codes, as well as extension to higher dimensions

Quasiparticle self-consistent GW method for the spectral properties of complex materials.

Science.gov (United States)

Bruneval, Fabien; Gatti, Matteo

2014-01-01

The GW approximation to the formally exact many-body perturbation theory has been applied successfully to materials for several decades. Since the practical calculations are extremely cumbersome, the GW self-energy is most commonly evaluated using a first-order perturbative approach: This is the so-called G 0 W 0 scheme. However, the G 0 W 0 approximation depends heavily on the mean-field theory that is employed as a basis for the perturbation theory. Recently, a procedure to reach a kind of self-consistency within the GW framework has been proposed. The quasiparticle self-consistent GW (QSGW) approximation retains some positive aspects of a self-consistent approach, but circumvents the intricacies of the complete GW theory, which is inconveniently based on a non-Hermitian and dynamical self-energy. This new scheme allows one to surmount most of the flaws of the usual G 0 W 0 at a moderate calculation cost and at a reasonable implementation burden. In particular, the issues of small band gap semiconductors, of large band gap insulators, and of some transition metal oxides are then cured. The QSGW method broadens the range of materials for which the spectral properties can be predicted with confidence.

A stress field in the vortex lattice in the type-II superconductor

Directory of Open Access Journals (Sweden)

Maruszewski, Bogdan

2008-02-01

Full Text Available Magnetic flux can penetrate a type-II superconductor in the form of Abrikosov vortices (also called flux lines, flux tubes, or fluxons, each carrying a quantum of magnetic flux. These tiny vortices of supercurrent tend to arrange themselves in a triangular and/or quadratic flux-line lattice, which is more or less perturbed by material inhomogeneities that pin the flux lines. Pinning is caused by imperfections of the crystal lattice, such as dislocations, point defects, grain boundaries, etc. Hence, a honeycomb-like pattern of the vortex array presents some mechanical properties. If the Lorentz force of interactions between the vortices is much bigger than the pinning force, the vortex lattice behaves elastically. So we assume that the pinning force is negligible in the sequel and we deal with soft vortices. The vortex motion in the vortex lattice and/or creep of the vortices in the vortex fluid is accompanied by energy dissipation. Hence, except for the elastic properties, the vortex field is also of a viscous character. The main aim of the paper is a formulation of a thermoviscoelastic stress - strain constitutive law consisted of coexistence of the ordered and disordered states of the vortex field. Its form describes an auxetic-like thermomechanical (anomalous property of the vortex field.

Pearl-necklace structures in core-shell molecular brushes: Experiments, Monte Carlo simulations and self-consistent field modeling

NARCIS (Netherlands)

Polotsky, A.; Charlaganov, M.; Xu, Y.P.; Leermakers, F.A.M.; Daoud, M.; Muller, A.H.E.; Dotera, T.; Borisov, O.V.

2008-01-01

We present theoretical arguments and experimental evidence for a longitudinal instability in core-shell cylindrical polymer brushes with a solvophobic inner (core) block and a solvophilic outer (shell) block in selective solvents. The two-gradient self-consistent field Scheutjens-Fleer (SCF-SF)

Self-consistent hybrid functionals for solids: a fully-automated implementation

Science.gov (United States)

Erba, A.

2017-08-01

A fully-automated algorithm for the determination of the system-specific optimal fraction of exact exchange in self-consistent hybrid functionals of the density-functional-theory is illustrated, as implemented into the public Crystal program. The exchange fraction of this new class of functionals is self-consistently updated proportionally to the inverse of the dielectric response of the system within an iterative procedure (Skone et al 2014 Phys. Rev. B 89, 195112). Each iteration of the present scheme, in turn, implies convergence of a self-consistent-field (SCF) and a coupled-perturbed-Hartree-Fock/Kohn-Sham (CPHF/KS) procedure. The present implementation, beside improving the user-friendliness of self-consistent hybrids, exploits the unperturbed and electric-field perturbed density matrices from previous iterations as guesses for subsequent SCF and CPHF/KS iterations, which is documented to reduce the overall computational cost of the whole process by a factor of 2.

Strong self-coupling expansion in the lattice-regularized standard SU(2) Higgs model

International Nuclear Information System (INIS)

Decker, K.; Weisz, P.; Montvay, I.

1985-11-01

Expectation values at an arbitrary point of the 3-dimensional coupling parameter space in the lattice-regularized SU(2) Higgs-model with a doublet scalar field are expressed by a series of expectation values at infinite self-coupling (lambda=infinite). Questions of convergence of this 'strong self-coupling expansion' (SSCE) are investigated. The SSCE is a potentially useful tool for the study of the lambda-dependence at any value (zero or non-zero) of the bare gauge coupling. (orig.)

Strong self-coupling expansion in the lattice-regularized standard SU(2) Higgs model

International Nuclear Information System (INIS)

Decker, K.; Weisz, P.

1986-01-01

Expectation values at an arbitrary point of the 3-dimensional coupling parameter space in the lattice-regularized SU(2) Higgs model with a doublet scalar field are expressed by a series of expectation values at infinite self-coupling (lambda=infinite). Questions of convergence of this ''strong self-coupling expansion'' (SSCE) are investigated. The SSCE is a potentially useful tool for the study of the lambda-dependence at any value (zero or non-zero) of the bare gauge coupling. (orig.)

Heavy-ion interactions in relativistic mean-field models

International Nuclear Information System (INIS)

Rashdan, M.

1996-01-01

The interaction potential between spherical nuclei and the elastic scattering cross section are calculated within relativistic mean-field (linear and non-linear) models, using a generalized relativistic local density approximation. The nuclear densities are calculated self-consistently from the solution of the relativistic mean-field equations. It is found that both the linear and non-linear models predict the characteristic switching-over phenomenon of the heavy-ion nuclear potential, where the potential gets attraction with increasing energy up to some value where it reverses this behaviour. The non-linear NLC model predicts a deeper potential than the linear LW model. The elastic scattering cross section calculated within the non-linear NLC model is in better agreement with experiments than that calculated within the linear LW model. (orig.)

Engineering self-organising helium bubble lattices in tungsten.

Science.gov (United States)

Harrison, R W; Greaves, G; Hinks, J A; Donnelly, S E

2017-08-10

The self-organisation of void and gas bubbles in solids into superlattices is an intriguing nanoscale phenomenon. Despite the discovery of these lattices 45 years ago, the atomistics behind the ordering mechanisms responsible for the formation of these nanostructures are yet to be fully elucidated. Here we report on the direct observation via transmission electron microscopy of the formation of bubble lattices under He ion bombardment. By careful control of the irradiation conditions, it has been possible to engineer the bubble size and spacing of the superlattice leading to important conclusions about the significance of vacancy supply in determining the physical characteristics of the system. Furthermore, no bubble lattice alignment was observed in the directions pointing to a key driving mechanism for the formation of these ordered nanostructures being the two-dimensional diffusion of self-interstitial atoms.

The self-consistent field model for Fermi systems with account of three-body interactions

Directory of Open Access Journals (Sweden)

Yu.M. Poluektov

2015-12-01

Full Text Available On the basis of a microscopic model of self-consistent field, the thermodynamics of the many-particle Fermi system at finite temperatures with account of three-body interactions is built and the quasiparticle equations of motion are obtained. It is shown that the delta-like three-body interaction gives no contribution into the self-consistent field, and the description of three-body forces requires their nonlocality to be taken into account. The spatially uniform system is considered in detail, and on the basis of the developed microscopic approach general formulas are derived for the fermion's effective mass and the system's equation of state with account of contribution from three-body forces. The effective mass and pressure are numerically calculated for the potential of "semi-transparent sphere" type at zero temperature. Expansions of the effective mass and pressure in powers of density are obtained. It is shown that, with account of only pair forces, the interaction of repulsive character reduces the quasiparticle effective mass relative to the mass of a free particle, and the attractive interaction raises the effective mass. The question of thermodynamic stability of the Fermi system is considered and the three-body repulsive interaction is shown to extend the region of stability of the system with the interparticle pair attraction. The quasiparticle energy spectrum is calculated with account of three-body forces.

Ultraviolet stability of three-dimensional lattice pure gauge field theories

International Nuclear Information System (INIS)

Balaban, T.

1985-01-01

We prove the ultraviolet stability for three-dimensional lattice gauge field theories. We consider only the Wilson lattice approximation for pure Yang-Mills field theories. The proof is based on results of the previous papers on renormalization group method for lattice gauge theories. (orig.)

Group theory and lattice gauge fields

International Nuclear Information System (INIS)

Creutz, M.

1988-09-01

Lattice gauge theory, formulated in terms of invariant integrals over group elements on lattice bonds, benefits from many group theoretical notions. Gauge invariance provides an enormous symmetry and powerful constraints on expectation values. Strong coupling expansions require invariant integrals over polynomials in group elements, all of which can be evaluated by symmetry considerations. Numerical simulations involve random walks over the group. These walks automatically generate the invariant group measure, avoiding explicit parameterization. A recently proposed overrelaxation algorithm is particularly efficient at exploring the group manifold. These and other applications of group theory to lattice gauge fields are reviewed in this talk. 17 refs

Tuning the electronic properties of gated multilayer phosphorene: A self-consistent tight-binding study

Science.gov (United States)

Li, L. L.; Partoens, B.; Peeters, F. M.

2018-04-01

By taking account of the electric-field-induced charge screening, a self-consistent calculation within the framework of the tight-binding approach is employed to obtain the electronic band structure of gated multilayer phosphorene and the charge densities on the different phosphorene layers. We find charge density and screening anomalies in single-gated multilayer phosphorene and electron-hole bilayers in dual-gated multilayer phosphorene. Due to the unique puckered lattice structure, both intralayer and interlayer charge screenings are important in gated multilayer phosphorene. We find that the electric-field tuning of the band structure of multilayer phosphorene is distinctively different in the presence and absence of charge screening. For instance, it is shown that the unscreened band gap of multilayer phosphorene decreases dramatically with increasing electric-field strength. However, in the presence of charge screening, the magnitude of this band-gap decrease is significantly reduced and the reduction depends strongly on the number of phosphorene layers. Our theoretical results of the band-gap tuning are compared with recent experiments and good agreement is found.

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

Directory of Open Access Journals (Sweden)

Phil Diamond

2003-01-01

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

Self-consistent equilibria in the pulsar magnetosphere

International Nuclear Information System (INIS)

Endean, V.G.

1976-01-01

For a 'collisionless' pulsar magnetosphere the self-consistent equilibrium particle distribution functions are functions of the constants of the motion ony. Reasons are given for concluding that to a good approximation they will be functions of the rotating frame Hamiltonian only. This is shown to result in a rigid rotation of the plasma, which therefore becomes trapped inside the velocity of light cylinder. The self-consistent field equations are derived, and a method of solving them is illustrated. The axial component of the magnetic field decays to zero at the plasma boundary. In practice, some streaming of particles into the wind zone may occur as a second-order effect. Acceleration of such particles to very high energies is expected when they approach the velocity of light cylinder, but they cannot be accelerated to very high energies near the star. (author)

Quark self-energy beyond the mean field at finite temperature

International Nuclear Information System (INIS)

Zhuang, P.

1995-01-01

The Nambu--Jona-Lasinio model, an effective low-energy model of QCD, is extended to the next to the leading order in the 1/N c expansion at finite temperature and density. The contributions to the quark self-energy and the constituent quark mass from the meson dressing are considered in a perturbative approach about the mean field. In particular, the temperature dependence of the quark mass is shown numerically at zero chemical potential. The correction to the quark mass from the meson dressing amounts to 20% compared to the result of the leading order at low temperature, and rapidly approaches zero at high temperature

Lattice formulations of supersymmetric gauge theories with matter fields

International Nuclear Information System (INIS)

Joseph, Anosh

2014-12-01

Certain classes of supersymmetric gauge theories, including the well known N=4 supersymmetric Yang-Mills theory, that takes part in the AdS/CFT correspondence, can be formulated on a Euclidean spacetime lattice using the techniques of exact lattice supersymmetry. Great ideas such as topological field theories, Dirac-Kaehler fermions, geometric discretization all come together to create supersymmetric lattice theories that are gauge-invariant, doubler free, local and exact supersymmetric. We discuss the recent lattice constructions of supersymmetric Yang-Mills theories in two and three dimensions coupled to matter fields in various representations of the color group.

Consistent forcing scheme in the cascaded lattice Boltzmann method.

Science.gov (United States)

Fei, Linlin; Luo, Kai Hong

2017-11-01

In this paper, we give an alternative derivation for the cascaded lattice Boltzmann method (CLBM) within a general multiple-relaxation-time (MRT) framework by introducing a shift matrix. When the shift matrix is a unit matrix, the CLBM degrades into an MRT LBM. Based on this, a consistent forcing scheme is developed for the CLBM. The consistency of the nonslip rule, the second-order convergence rate in space, and the property of isotropy for the consistent forcing scheme is demonstrated through numerical simulations of several canonical problems. Several existing forcing schemes previously used in the CLBM are also examined. The study clarifies the relation between MRT LBM and CLBM under a general framework.

Consistent forcing scheme in the cascaded lattice Boltzmann method

Science.gov (United States)

Fei, Linlin; Luo, Kai Hong

2017-11-01

In this paper, we give an alternative derivation for the cascaded lattice Boltzmann method (CLBM) within a general multiple-relaxation-time (MRT) framework by introducing a shift matrix. When the shift matrix is a unit matrix, the CLBM degrades into an MRT LBM. Based on this, a consistent forcing scheme is developed for the CLBM. The consistency of the nonslip rule, the second-order convergence rate in space, and the property of isotropy for the consistent forcing scheme is demonstrated through numerical simulations of several canonical problems. Several existing forcing schemes previously used in the CLBM are also examined. The study clarifies the relation between MRT LBM and CLBM under a general framework.

Mean-field results of the multiple-band extended Hubbard model for the square-planar CuO2 lattice

International Nuclear Information System (INIS)

Nimkar, S.; Sarma, D.D.; Krishnamurthy, H.R.; Ramasesha, S.

1993-01-01

We obtain metal-insulator phase diagrams at half-filling for the five-band extended Hubbard model of the square-planar CuO 2 lattice treated within a Hartree-Fock mean-field approximation, allowing for spiral spin-density waves. We indicate the existence of an insulating phase (covalent insulator) characterized by strong covalency effects, not identified in the earlier Zaanen-Sawatzky-Allen phase diagram. While the insulating phase is always antiferromagnetic, we also obtain an antiferromagnetic metallic phase for a certain range of interaction parameters. Performing a nonperturbative calculation of J eff , the in-plane antiferromagnetic interaction is presented as a function of the parameters in the model. We also calculate the band gap and magnetic moments at various sites and discuss critically the contrasting interpretation of the electronic structure of high-T c materials arising from photoemission and neutron-scattering experiments

Self-organized critical behavior in pinned flux lattices

International Nuclear Information System (INIS)

Pla, O.; Nori, F.

1991-01-01

We study the response of pinned fluxed lattices, under small perturbations in the driving force, below and close to the pinning-depinning transition. For driving Lorentz forces below F c (the depinning force at which the whole flux lattice slides), the system has instabilities against small force increases, with a power-law distribution characteristic of self-organized criticality. Specifically, D(d)∼d -1,3 , where d is the displacement of a flux line after a very small force increase. We also study the initial stages of the motion of the lattice once the driving force overcomes the pinning forces

Automatically generating Feynman rules for improved lattice field theories

International Nuclear Information System (INIS)

Hart, A.; Hippel, G.M. von; Horgan, R.R.; Storoni, L.C.

2005-01-01

Deriving the Feynman rules for lattice perturbation theory from actions and operators is complicated, especially when improvement terms are present. This physically important task is, however, suitable for automation. We describe a flexible algorithm for generating Feynman rules for a wide range of lattice field theories including gluons, relativistic fermions and heavy quarks. We also present an efficient implementation of this in a freely available, multi-platform programming language (PYTHON), optimised to deal with a wide class of lattice field theories

Quantum mean-field approximations for nuclear bound states and tunneling

International Nuclear Information System (INIS)

Negele, J.W.; Levit, S.; Paltiel, Z.; Massachusetts Inst. of Tech., Cambridge

1979-01-01

A conceptual framework has been presented in which observables are approximated in terms of a self-consistent quantum mean-field theory. Since the SPA (Stationary Phase Approximation) determines the optimal mean field to approximate a given observable, it is natural that when one changes the observable, the best mean field to describe it changes as well. Although the theory superficially appears applicable to any observable expressible in terms of an evolution operator, for example an S-matrix element, one would have to go far beyond the SPA to adequately approximate the overlap of two many-body wave functions. The most salient open problems thus concern quantitative assessment of the accuracy of the SPA, reformulation of the theory to accomodate hard cores, and selection of sensible expectation values of few-body operators to address in scattering problems

Self-consistent potential variations in magnetic wells

International Nuclear Information System (INIS)

Kesner, J.; Knorr, G.; Nicholson, D.R.

1981-01-01

Self-consistent electrostatic potential variations are considered in a spatial region of weak magnetic field, as in the proposed tandem mirror thermal barriers (with no trapped ions). For some conditions, equivalent to ion distributions with a sufficiently high net drift speed along the magnetic field, the desired potential depressions are found. When the net drift speed is not high enough, potential depressions are found only in combination with strong electric fields on the boundaries of the system. These potential depressions are not directly related to the magnetic field depression. (author)

Particle linear theory on a self-gravitating perturbed cubic Bravais lattice

International Nuclear Information System (INIS)

Marcos, B.

2008-01-01

Discreteness effects are a source of uncontrolled systematic errors of N-body simulations, which are used to compute the evolution of a self-gravitating fluid. We have already developed the so-called ''particle linear theory''(PLT), which describes the evolution of the position of self-gravitating particles located on a perturbed simple cubic lattice. It is the discrete analogue of the well-known (Lagrangian) linear theory of a self-gravitating fluid. Comparing both theories permits us to quantify precisely discreteness effects in the linear regime. It is useful to develop the PLT also for other perturbed lattices because they represent different discretizations of the same continuous system. In this paper we detail how to implement the PLT for perturbed cubic Bravais lattices (simple, body, and face-centered) in a cubic simulation box. As an application, we will study the discreteness effects--in the linear regime--of N-body simulations for which initial conditions have been set up using these different lattices.

Nuclear Lattice Simulations with Chiral Effective Field Theory

OpenAIRE

Lee, Dean

2008-01-01

We present recent results on lattice simulations using chiral effective field theory. In particular we discuss lattice simulations for dilute neutron matter at next-to-leading order and three-body forces in light nuclei at next-to-next-to-leading order.

Self-consistent electrodynamic scattering in the symmetric Bragg case

International Nuclear Information System (INIS)

Campos, H.S.

1988-01-01

We have analyzed the symmetric Bragg case, introducing a model of self consistent scattering for two elliptically polarized beams. The crystal is taken as a set of mathematical planes, each of them defined by a surface density of dipoles. We have considered the mesofield and the epifield differently from that of the Ewald's theory and, we assumed a plane of dipoles and the associated fields as a self consistent scattering unit. The exact analytical treatment when applied to any two neighbouring planes, results in a general and self consistent Bragg's equation, in terms of the amplitude and phase variations. The generalized solution for the set of N planes was obtained after introducing an absorption factor in the incident radiation, in two ways: (i) the analytical one, through a rule of field similarity, which says that the incidence occurs in both faces of the all crystal planes and also, through a matricial development with the Chebyshev polynomials; (ii) using the numerical solution we calculated, iteratively, the reflectivity, the reflection phase, the transmissivity, the transmission phase and the energy. The results are showed through reflection and transmission curves, which are characteristics as from kinematical as dynamical theories. The conservation of the energy results from the Ewald's self consistency principle is used. In the absorption case, the results show that it is not the only cause for the asymmetric form in the reflection curves. The model contains basic elements for a unified, microscope, self consistent, vectorial and exact formulation for interpretating the X ray diffraction in perfect crystals. (author)

Self-consistent Random Phase Approximation applied to a schematic model of the field theory

International Nuclear Information System (INIS)

Bertrand, Thierry

1998-01-01

The self-consistent Random Phase Approximation (SCRPA) is a method allowing in the mean-field theory inclusion of the correlations in the ground and excited states. It has the advantage of not violating the Pauli principle in contrast to RPA, that is based on the quasi-bosonic approximation; in addition, numerous applications in different domains of physics, show a possible variational character. However, the latter should be formally demonstrated. The first model studied with SCRPA is the anharmonic oscillator in the region where one of its symmetries is spontaneously broken. The ground state energy is reproduced by SCRPA more accurately than RPA, with no violation of the Ritz variational principle, what is not the case for the latter approximation. The success of SCRPA is the the same in case of ground state energy for a model mixing bosons and fermions. At the transition point the SCRPA is correcting RPA drastically, but far from this region the correction becomes negligible, both methods being of similar precision. In the deformed region in the case of RPA a spurious mode occurred due to the microscopical character of the model.. The SCRPA may also reproduce this mode very accurately and actually it coincides with an excitation in the exact spectrum

Generalized Kapchinskij-Vladimirskij Distribution and Envelope Equation for High-intensity Beams in a Coupled Transverse Focusing Lattice

International Nuclear Information System (INIS)

Qin, Hong; Chung, Moses; Davidson, Ronald C.

2009-01-01

In an uncoupled lattice, the Kapchinskij-Vladimirskij (KV) distribution function first analyzed in 1959 is the only known exact solution of the nonlinear Vlasov-Maxwell equations for high- intensity beams including self-fields in a self-consistent manner. The KV solution is generalized here to high-intensity beams in a coupled transverse lattice using the recently developed generalized Courant-Snyder invariant for coupled transverse dynamics. This solution projects to a rotating, pulsating elliptical beam in transverse configuration space, determined by the generalized matrix envelope equation.

Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

International Nuclear Information System (INIS)

Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.

2015-01-01

This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performing microcanonical excited state molecular dynamics with p-nitroaniline

Mean field dynamics of networks of delay-coupled noisy excitable units

Energy Technology Data Exchange (ETDEWEB)

Franović, Igor, E-mail: franovic@ipb.ac.rs [Scientific Computing Laboratory, Institute of Physics Belgrade, University of Belgrade, Pregrevica 118, 11080 Belgrade (Serbia); Todorović, Kristina; Burić, Nikola [Department of Physics and Mathematics, Faculty of Pharmacy, University of Belgrade, Vojvode Stepe 450, Belgrade (Serbia); Vasović, Nebojša [Department of Applied Mathematics, Faculty of Mining and Geology, University of Belgrade, PO Box 162, Belgrade (Serbia)

2016-06-08

We use the mean-field approach to analyze the collective dynamics in macroscopic networks of stochastic Fitzhugh-Nagumo units with delayed couplings. The conditions for validity of the two main approximations behind the model, called the Gaussian approximation and the Quasi-independence approximation, are examined. It is shown that the dynamics of the mean-field model may indicate in a self-consistent fashion the parameter domains where the Quasi-independence approximation fails. Apart from a network of globally coupled units, we also consider the paradigmatic setup of two interacting assemblies to demonstrate how our framework may be extended to hierarchical and modular networks. In both cases, the mean-field model can be used to qualitatively analyze the stability of the system, as well as the scenarios for the onset and the suppression of the collective mode. In quantitative terms, the mean-field model is capable of predicting the average oscillation frequency corresponding to the global variables of the exact system.

Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics

DEFF Research Database (Denmark)

Miyagi, Haruhide; Madsen, Lars Bojer

2013-01-01

We present the time-dependent restricted-active-space self-consistent-field (TD-RASSCF) theory as a framework for the time-dependent many-electron problem. The theory generalizes the multiconfigurational time-dependent Hartree-Fock (MCTDHF) theory by incorporating the restricted-active-space scheme...... well known in time-independent quantum chemistry. Optimization of the orbitals as well as the expansion coefficients at each time step makes it possible to construct the wave function accurately while using only a relatively small number of electronic configurations. In numerical calculations of high...

Self-dual phase space for (3 +1 )-dimensional lattice Yang-Mills theory

Science.gov (United States)

Riello, Aldo

2018-01-01

I propose a self-dual deformation of the classical phase space of lattice Yang-Mills theory, in which both the electric and magnetic fluxes take value in the compact gauge Lie group. A local construction of the deformed phase space requires the machinery of "quasi-Hamiltonian spaces" by Alekseev et al., which is reviewed here. The results is a full-fledged finite-dimensional and gauge-invariant phase space, the self-duality properties of which are largely enhanced in (3 +1 ) spacetime dimensions. This enhancement is due to a correspondence with the moduli space of an auxiliary noncommutative flat connection living on a Riemann surface defined from the lattice itself, which in turn equips the duality between electric and magnetic fluxes with a neat geometrical interpretation in terms of a Heegaard splitting of the space manifold. Finally, I discuss the consequences of the proposed deformation on the quantization of the phase space, its quantum gravitational interpretation, as well as its relevance for the construction of (3 +1 )-dimensional topological field theories with defects.

Vector fields and gravity on the lattice

International Nuclear Information System (INIS)

Khatsymovsky, V.M.

1988-01-01

The problem of discretization of vector field on Regge lattice is considered. Our approach is based on geometrical interpretation of the vector field as the field of infinitesimal coordinate transformation. A discrete version of the vector field action is obtained as a particular case of the continuum action, and it is shown to have the true continuum limit

Naturalness of Nonlinear Scalar Self-Couplings in a Relativistic Mean Field Theory for Neutron Stars

International Nuclear Information System (INIS)

Maekawa, Claudio; Razeira, Moises; Vasconcellos, Cesar A. Z.; Dillig, Manfred; Bodmann, Bardo E. J.

2004-01-01

We investigate the role of naturalness in effective field theory. We focus on dense hadronic matter using a generalized relativistic multi-baryon lagrangian density mean field approach which contains nonlinear self-couplings of the σ, δ meson fields and the fundamental baryon octet. We adjust the model parameters to describe bulk static properties of ordinary nuclear matter. Then, we show that our approach represents a natural modelling of nuclear matter under the extreme conditions of density as the ones found in the interior of neutron stars

Self-assembly behavior of pH- and thermosensitive amphiphilic triblock copolymers in solution: experimental studies and self-consistent field theory simulations.

Science.gov (United States)

Cai, Chunhua; Zhang, Liangshun; Lin, Jiaping; Wang, Liquan

2008-10-09

We investigated, both experimentally and theoretically, the self-assembly behaviors of pH- and thermosensitive poly(L-glutamic acid)- b-poly(propylene oxide)-b-poly(L-glutamic acid) (PLGA-b-PPO-b-PLGA) triblock copolymers in aqueous solution by means of transmission electron microscopy (TEM), scanning electron microscopy (SEM), dynamic light scattering (DLS), circular dichroism (CD), and self-consistent field theory (SCFT) simulations. Vesicles were observed when the hydrophilic PLGA block length is shorter or the pH value of solution is lower. The vesicles were found to transform to spherical micelles when the PLGA block length increases or its conformation changes from helix to coil with increasing the pH value. In addition, increasing temperature gives rise to a decrease in the size of aggregates, which is related to the dehydration of the PPO segments at higher temperatures. The SCFT simulation results show that the vesicles transform to the spherical micelles with increasing the fraction or statistical length of A block in model ABA triblock copolymer, which corresponds to the increase in the PLGA length or its conformation change from helix to coil in experiments, respectively. The SCFT calculations also provide chain distribution information in the aggregates. On the basis of both experimental and SCFT results, the mechanism of the structure change of the PLGA- b-PPO- b-PLGA aggregates was proposed.

Self-consistent perturbation expansion for Bose-Einstein condensates satisfying Goldstone's theorem and conservation laws

International Nuclear Information System (INIS)

Kita, Takafumi

2009-01-01

Quantum-field-theoretic descriptions of interacting condensed bosons have suffered from the lack of self-consistent approximation schemes satisfying Goldstone's theorem and dynamical conservation laws simultaneously. We present a procedure to construct such approximations systematically by using either an exact relation for the interaction energy or the Hugenholtz-Pines relation to express the thermodynamic potential in a Luttinger-Ward form. Inspection of the self-consistent perturbation expansion up to the third order with respect to the interaction shows that the two relations yield a unique identical result at each order, reproducing the conserving-gapless mean-field theory [T. Kita, J. Phys. Soc. Jpn. 74, 1891 (2005)] as the lowest-order approximation. The uniqueness implies that the series becomes exact when infinite terms are retained. We also derive useful expressions for the entropy and superfluid density in terms of Green's function and a set of real-time dynamical equations to describe thermalization of the condensate.

Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling

International Nuclear Information System (INIS)

Pera, H.; Kleijn, J. M.; Leermakers, F. A. M.

2014-01-01

To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus k c and k ¯ and the preferred monolayer curvature J 0 m , and also delivers structural membrane properties like the core thickness, and head group position and orientation. We studied how these mechanical parameters vary with system variations, such as lipid tail length, membrane composition, and those parameters that control the lipid tail and head group solvent quality. For the membrane composition, negatively charged phosphatidylglycerol (PG) or zwitterionic, phosphatidylcholine (PC), and -ethanolamine (PE) lipids were used. In line with experimental findings, we find that the values of k c and the area compression modulus k A are always positive. They respond similarly to parameters that affect the core thickness, but differently to parameters that affect the head group properties. We found that the trends for k ¯ and J 0 m can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k ¯ and J 0 m change sign with relevant parameter changes. Although typically k ¯ 0 m ≫0, especially at low ionic strengths. We anticipate that these changes lead to unstable membranes as these become vulnerable to pore formation or disintegration into lipid disks

Effects of Dzyaloshinsky–Moriya interaction on magnetism in nanodisks from a self-consistent approach

Energy Technology Data Exchange (ETDEWEB)

Liu, Zhaosen, E-mail: liuzhsnj@yahoo.com [Nanjing University of Information Science and Technology, Department of Applied Physics (China); Ian, Hou, E-mail: houian@umac.mo [University of Macau, Institute of Applied Physics and Materials Engineering, FST (China)

2016-01-15

We give a theoretical study on the magnetic properties of monolayer nanodisks with both Heisenberg exchange and Dzyaloshinsky–Moriya (DM) interactions. In particular, we survey the magnetic effects caused by anisotropy, external magnetic field, and disk size when DM interaction is present by means of a new quantum simulation method facilitated by a self-consistent algorithm based on mean field theory. This computational approach finds that uniaxial anisotropy and transversal magnetic field enhance the net magnetization as well as increase the transition temperature of the vortical phase while preserving the chiralities of the swirly magnetic structures, whereas when the strength of DM interaction is sufficiently strong for a given disk size, magnetic domains appear within the circularly bounded region, which vanish and give in to a single vortex when a transversal magnetic field is applied. The latter confirms the magnetic skyrmions induced by the magnetic field as observed in the experiments.

Self-consistent finite-temperature model of atom-laser coherence properties

International Nuclear Information System (INIS)

Fergusson, J.R.; Geddes, A.J.; Hutchinson, D.A.W.

2005-01-01

We present a mean-field model of a continuous-wave atom laser with Raman output coupling. The noncondensate is pumped at a fixed input rate which, in turn, pumps the condensate through a two-body scattering process obeying the Fermi golden rule. The gas is then coupled out by a Gaussian beam from the system, and the temperature and particle number are self-consistently evaluated against equilibrium constraints. We observe the dependence of the second-order coherence of the output upon the width of the output-coupling beam, and note that even in the presence of a highly coherent trapped gas, perfect coherence of the output matter wave is not guaranteed

Phi4 lattice field theory as an asymptotic expansion about the Ising limit

International Nuclear Information System (INIS)

Caginalp, G.

1980-01-01

For a d-dimensional phi 4 lattice field theory consisting of N spins, an asymptotic expansion of expectations about the Ising limit is established in inverse powers of the bare coupling constant lambda. In the thermodynamic limit (N→infinity), the expansion is expected to be valid in the noncritical region of the Ising system

Generalized molecular orbital theory: a limited multiconfiguration self-consistent-field-theory

International Nuclear Information System (INIS)

Hall, M.B.

1981-01-01

The generalized molecular orbital (GMO) approach is a limited type of multiconfiguration self-consistent-field (MCSCF) calculation which divides the orbitals of a closed shell molecule into four shells: doubly occupied, strongly occupied, weakly occupied, and unoccupied. The orbitals within each shell have the same occupation number and are associated with the same Fock operator. Thus, the orbital optimization is ideally suited to solution via a coupling operator. The determination of the orbitals is followed by a configuration interaction (CI) calculation within the strongly and weakly occupied shells. Results for BH 3 show a striking similarity between the GMO's and the natural orbitals (NO's) from an all singles and doubles CI calculation. Although the GMO approach would not be accurate for an entire potential surface, results for spectroscopic constants of N 2 show that it is suitable near the equilibrium geometry. This paper describes the use of the GMO technique to determine the primary orbital space, but a potentially important application may be in the determination of a secondary orbital space following a more accurate MCSCF determination of the primary space

Exact self-consistent solutions to the interacting spinor and scalar field equations in Bianchi type-I space-time

International Nuclear Information System (INIS)

Alvarado, R.; Rybakov, Yu.P.; Shikin, G.N.; Saha, B.

1995-01-01

Self-consistent solutions to the system of spinor and scalar field equations in General Relativity are studied for the case of Bianchi type-I space-time. The absence of initial singularity should be emphasized for some types of solutions and also the isotropic mode of space-time expansion in some special cases. 3 refs

A self-consistent two-dimensional resistive fluid theory of field-aligned potential structures including charge separation and magnetic and velocity shear

International Nuclear Information System (INIS)

Hesse, M.; Birn, J.; Schindler, K.

1990-01-01

A self-consistent two-fluid theory that includes the magnetic field and shear patterns therein is developed to model stationary electrostatic structures with field-aligned potential drops. Shear flow is also included in the theory since this seems to be a prominent feature of the structures of interest. In addition, Ohmic dissipation, a Hall term and pressure gradients in a generalized Ohm's law, modified for cases without quasi-neutrality are included. In the analytic theory, the electrostatic force is balanced by field-aligned pressure gradients, i.e., thermal effects in the direction of the magnetic field, and by pressure gradients and magnetic stresses in the perpendicular direction. Within this theory simple examples of applications are presented to demonstrate the kind of solutions resulting from the model. The results show how the effects of charge separation and shear in the magnetic field and the velocity can be combined to form self-consistent structures such as are found to exist above the aurora, suggested also in association with solar flares

Hamiltonian lattice field theory: Computer calculations using variational methods

International Nuclear Information System (INIS)

Zako, R.L.

1991-01-01

I develop a variational method for systematic numerical computation of physical quantities -- bound state energies and scattering amplitudes -- in quantum field theory. An infinite-volume, continuum theory is approximated by a theory on a finite spatial lattice, which is amenable to numerical computation. I present an algorithm for computing approximate energy eigenvalues and eigenstates in the lattice theory and for bounding the resulting errors. I also show how to select basis states and choose variational parameters in order to minimize errors. The algorithm is based on the Rayleigh-Ritz principle and Kato's generalizations of Temple's formula. The algorithm could be adapted to systems such as atoms and molecules. I show how to compute Green's functions from energy eigenvalues and eigenstates in the lattice theory, and relate these to physical (renormalized) coupling constants, bound state energies and Green's functions. Thus one can compute approximate physical quantities in a lattice theory that approximates a quantum field theory with specified physical coupling constants. I discuss the errors in both approximations. In principle, the errors can be made arbitrarily small by increasing the size of the lattice, decreasing the lattice spacing and computing sufficiently long. Unfortunately, I do not understand the infinite-volume and continuum limits well enough to quantify errors due to the lattice approximation. Thus the method is currently incomplete. I apply the method to real scalar field theories using a Fock basis of free particle states. All needed quantities can be calculated efficiently with this basis. The generalization to more complicated theories is straightforward. I describe a computer implementation of the method and present numerical results for simple quantum mechanical systems

Hamiltonian lattice field theory: Computer calculations using variational methods

International Nuclear Information System (INIS)

Zako, R.L.

1991-01-01

A variational method is developed for systematic numerical computation of physical quantities-bound state energies and scattering amplitudes-in quantum field theory. An infinite-volume, continuum theory is approximated by a theory on a finite spatial lattice, which is amenable to numerical computation. An algorithm is presented for computing approximate energy eigenvalues and eigenstates in the lattice theory and for bounding the resulting errors. It is shown how to select basis states and choose variational parameters in order to minimize errors. The algorithm is based on the Rayleigh-Ritz principle and Kato's generalizations of Temple's formula. The algorithm could be adapted to systems such as atoms and molecules. It is shown how to compute Green's functions from energy eigenvalues and eigenstates in the lattice theory, and relate these to physical (renormalized) coupling constants, bound state energies and Green's functions. Thus one can compute approximate physical quantities in a lattice theory that approximates a quantum field theory with specified physical coupling constants. The author discusses the errors in both approximations. In principle, the errors can be made arbitrarily small by increasing the size of the lattice, decreasing the lattice spacing and computing sufficiently long. Unfortunately, the author does not understand the infinite-volume and continuum limits well enough to quantify errors due to the lattice approximation. Thus the method is currently incomplete. The method is applied to real scalar field theories using a Fock basis of free particle states. All needed quantities can be calculated efficiently with this basis. The generalization to more complicated theories is straightforward. The author describes a computer implementation of the method and present numerical results for simple quantum mechanical systems

New integrable lattice hierarchies

International Nuclear Information System (INIS)

Pickering, Andrew; Zhu Zuonong

2006-01-01

In this Letter we give a new integrable four-field lattice hierarchy, associated to a new discrete spectral problem. We obtain our hierarchy as the compatibility condition of this spectral problem and an associated equation, constructed herein, for the time-evolution of eigenfunctions. We consider reductions of our hierarchy, which also of course admit discrete zero curvature representations, in detail. We find that our hierarchy includes many well-known integrable hierarchies as special cases, including the Toda lattice hierarchy, the modified Toda lattice hierarchy, the relativistic Toda lattice hierarchy, and the Volterra lattice hierarchy. We also obtain here a new integrable two-field lattice hierarchy, to which we give the name of Suris lattice hierarchy, since the first equation of this hierarchy has previously been given by Suris. The Hamiltonian structure of the Suris lattice hierarchy is obtained by means of a trace identity formula

The fixed point structure of lattice field theories

International Nuclear Information System (INIS)

Baier, R.; Reusch, H.J.; Lang, C.B.

1989-01-01

Monte-Carlo renormalization group methods allow to analyze lattice regularized quantum field theories. The properties of the quantized field theory in the continuum may be recovered at a critical point of the lattice model. This requires a study of the phase diagram and the renormalization flow structure of the coupling constants. As an example the authors discuss the results of a recent MCRG investigation of the SU(2) adjoint Higgs model, where they find evidence for the existence of a tricritical point at finite values of the inverse gauge coupling β

Self-consistent theory of charged current neutrino-nucleus reactions

Energy Technology Data Exchange (ETDEWEB)

Paar, Nils; Marketin, Tomislav; Vretenar, Dario [Physics Department, Faculty of Science, University Zagreb (Croatia); Ring, Peter [Physik-Department, Technischen Universitaet Muenchen, D-85748 Muenchen (Germany)

2009-07-01

A novel theoretical framework has been introduced for description of neutrino induced reactions with nuclei. The properties of target nuclei are determined in a self-consistent way using relativistic mean-field framework based on effective Lagrangians with density dependent meson-nucleon vertex functions. The weak lepton-hadron interaction is expressed in the standard current-current form, the nuclear ground state is described in the relativistic Hartree-Bogolyubov model, and the relevant transitions to excited nuclear states are calculated in the proton-neutron relativistic quasiparticle random phase approximation. This framework has been employed in studies of charged-current neutrino reactions involving nuclei of relevance for neutrino detectors, r-process nuclei, and neutrino-nucleus cross sections averaged over measured neutrino fluxes and supernova neutrino distributions.

Hamiltonian lattice studies of chiral meson field theories

International Nuclear Information System (INIS)

Chin, S.A.

1998-01-01

The latticization of the non-linear sigma model reduces a chiral meson field theory to an O(4) spin lattice system with quantum fluctuations. The result is an interesting marriage between quantum many-body theory and classical spin systems. By solving the resulting lattice Hamiltonian by Monte Carlo methods, the dynamics and thermodynamics of pions can be determined non-perturbatively. In a variational 16 3 lattice study, the ground state chiral phase transition is shown to be first order. Moreover, as the chiral phase transition is approached, the mass gap of pionic collective modes with quantum number of the ω vector meson drops toward zero. (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)

Autonomously responsive pumping by a bacterial flagellar forest: A mean-field approach

Science.gov (United States)

Martindale, James D.; Fu, Henry C.

2017-09-01

This study is motivated by a microfluidic device that imparts a magnetic torque on an array of bacterial flagella. Bacterial flagella can transform their helical geometry autonomously in response to properties of the background fluid, which provides an intriguing mechanism allowing their use as an engineered element for the regulation or transport of chemicals in microscale applications. The synchronization of flagellar phase has been widely studied in biological contexts, but here we examine the synchronization of flagellar tilt, which is necessary for effective pumping. We first examine the effects of helical geometry and tilt on the pumping flows generated by a single rotating flagellum. Next, we explore a mean-field model for an array of helical flagella to understand how collective tilt arises and influences pumping. The mean-field methodology allows us to take into account possible phase differences through a time-averaging procedure and to model an infinite array of flagella. We find array separation distances, magnetic field strengths, and rotation frequencies that produce nontrivial self-consistent pumping solutions. For individual flagella, pumping is reversed when helicity or rotation is reversed; in contrast, when collective effects are included, self-consistent tilted pumping solutions become untilted nonpumping solutions when helicity or rotation is reversed.

arXiv Stochastic locality and master-field simulations of very large lattices

CERN Document Server

Lüscher, Martin

2018-01-01

In lattice QCD and other field theories with a mass gap, the field variables in distant regions of a physically large lattice are only weakly correlated. Accurate stochastic estimates of the expectation values of local observables may therefore be obtained from a single representative field. Such master-field simulations potentially allow very large lattices to be simulated, but require various conceptual and technical issues to be addressed. In this talk, an introduction to the subject is provided and some encouraging results of master-field simulations of the SU(3) gauge theory are reported.

Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.

Science.gov (United States)

Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura

2016-07-12

A multireference second-order perturbation theory approach based on the generalized active space self-consistent-field (GASSCF) wave function is presented. Compared with the complete active space (CAS) and restricted active space (RAS) wave functions, GAS wave functions are more flexible and can employ larger active spaces and/or different truncations of the configuration interaction expansion. With GASSCF, one can explore chemical systems that are not affordable with either CASSCF or RASSCF. Perturbation theory to second order on top of GAS wave functions (GASPT2) has been implemented to recover the remaining electron correlation. The method has been benchmarked by computing the chromium dimer ground-state potential energy curve. These calculations show that GASPT2 gives results similar to CASPT2 even with a configuration interaction expansion much smaller than the corresponding CAS expansion.

Self-consistent perturbed equilibrium with neoclassical toroidal torque in tokamaks

International Nuclear Information System (INIS)

Park, Jong-Kyu; Logan, Nikolas C.

2017-01-01

Toroidal torque is one of the most important consequences of non-axisymmetric fields in tokamaks. The well-known neoclassical toroidal viscosity (NTV) is due to the second-order toroidal force from anisotropic pressure tensor in the presence of these asymmetries. This work shows that the first-order toroidal force originating from the same anisotropic pressure tensor, despite having no flux surface average, can significantly modify the local perturbed force balance and thus must be included in perturbed equilibrium self-consistent with NTV. The force operator with an anisotropic pressure tensor is not self-adjoint when the NTV torque is finite and thus is solved directly for each component. This approach yields a modified, non-self-adjoint Euler-Lagrange equation that can be solved using a variety of common drift-kinetic models in generalized tokamak geometry. The resulting energy and torque integral provides a unique way to construct a torque response matrix, which contains all the information of self-consistent NTV torque profiles obtainable by applying non-axisymmetric fields to the plasma. This torque response matrix can then be used to systematically optimize non-axisymmetric field distributions for desired NTV profiles. Published by AIP Publishing.

Self-organizing physical fields and gravity

International Nuclear Information System (INIS)

Pestov, I.B.

2009-01-01

It is shown that the Theory of Self-Organizing Physical Fields provides the adequate and consistent consideration of the gravitational phenomena. The general conclusion lies in the fact that the essence of gravidynamics is the new field concept of time and the general covariant law of energy conservation which in particular means that dark energy is simply the energy of the gravitational field. From the natural geometrical laws of gravidynamics the dynamical equations of the gravitational field are derived. Two exact solutions of these equations are obtained. One of them represents a shock gravitational wave and the other represents the Universe filled up with the gravitational energy only. These solutions are compared with the Schwarzschild and Friedmann solutions in the Einstein general theory of relativity

Beyond the relativistic mean-field approximation. II. Configuration mixing of mean-field wave functions projected on angular momentum and particle number

International Nuclear Information System (INIS)

Niksic, T.; Vretenar, D.; Ring, P.

2006-01-01

The framework of relativistic self-consistent mean-field models is extended to include correlations related to the restoration of broken symmetries and to fluctuations of collective variables. The generator coordinate method is used to perform configuration mixing of angular-momentum and particle-number projected relativistic wave functions. The geometry is restricted to axially symmetric shapes, and the intrinsic wave functions are generated from the solutions of the relativistic mean-field+Lipkin-Nogami BCS equations, with a constraint on the mass quadrupole moment. The model employs a relativistic point-coupling (contact) nucleon-nucleon effective interaction in the particle-hole channel, and a density-independent δ-interaction in the pairing channel. Illustrative calculations are performed for 24 Mg, 32 S, and 36 Ar, and compared with results obtained employing the model developed in the first part of this work, i.e., without particle-number projection, as well as with the corresponding nonrelativistic models based on Skyrme and Gogny effective interactions

Self-consistent gravitational self-force

International Nuclear Information System (INIS)

Pound, Adam

2010-01-01

I review the problem of motion for small bodies in general relativity, with an emphasis on developing a self-consistent treatment of the gravitational self-force. An analysis of the various derivations extant in the literature leads me to formulate an asymptotic expansion in which the metric is expanded while a representative worldline is held fixed. I discuss the utility of this expansion for both exact point particles and asymptotically small bodies, contrasting it with a regular expansion in which both the metric and the worldline are expanded. Based on these preliminary analyses, I present a general method of deriving self-consistent equations of motion for arbitrarily structured (sufficiently compact) small bodies. My method utilizes two expansions: an inner expansion that keeps the size of the body fixed, and an outer expansion that lets the body shrink while holding its worldline fixed. By imposing the Lorenz gauge, I express the global solution to the Einstein equation in the outer expansion in terms of an integral over a worldtube of small radius surrounding the body. Appropriate boundary data on the tube are determined from a local-in-space expansion in a buffer region where both the inner and outer expansions are valid. This buffer-region expansion also results in an expression for the self-force in terms of irreducible pieces of the metric perturbation on the worldline. Based on the global solution, these pieces of the perturbation can be written in terms of a tail integral over the body's past history. This approach can be applied at any order to obtain a self-consistent approximation that is valid on long time scales, both near and far from the small body. I conclude by discussing possible extensions of my method and comparing it to alternative approaches.

Does one see gluon condensation after subtraction of mean field perturbation theory from Monte Carlo data

International Nuclear Information System (INIS)

Schlichting, H.

1985-01-01

We do a linearised mean field calculation in axial gauge for the four dimensional mixed fundamental adjoint SU(2) lattice gauge theory and extract the gluon condensate parameter from the expectation values of the plaquette and the action by subtracting mean field perturbation theory from Monte Carlo data. (orig.)

Dispersion of guided modes in two-dimensional split ring lattices

DEFF Research Database (Denmark)

Hansen, Per Lunnemann; Koenderink, A. Femius

2014-01-01

. This method takes into account all retarded electrodynamic interactions as well as radiation damping self-consistently. As illustration, we analyze the dispersion of plasmon nanorod lattices, and of 2D split ring resonator lattices. Plasmon nanorod lattices support transverse and longitudinal in...

Computers for lattice field theories

International Nuclear Information System (INIS)

Iwasaki, Y.

1994-01-01

Parallel computers dedicated to lattice field theories are reviewed with emphasis on the three recent projects, the Teraflops project in the US, the CP-PACS project in Japan and the 0.5-Teraflops project in the US. Some new commercial parallel computers are also discussed. Recent development of semiconductor technologies is briefly surveyed in relation to possible approaches toward Teraflops computers. (orig.)

Self-consistent simulation of the CSR effect on beam emittance

International Nuclear Information System (INIS)

Li, R.

1999-01-01

When a microbunch with high charge traverses a curved trajectory, the curvature-induced Coherent Synchrotron Radiation (CSR) and space-charge forces may cause serious emittance degradation. Earlier analyses based on rigid-line charge model are helpful in understanding the mechanism of this curvature-induced bunch self-interaction. In reality, however, the bunch has finite transverse size and its dynamics respond to the CSR force. In this paper, we present the first self-consistent simulation for the study of the impact of CSR on beam optics. With the bunch represented by a set of macroparticles, the dynamics of the bunch under the influence of the CSR force are simulated, where the CSR force in turn depends on the history of bunch charge distribution and current density in accordance to causality. This simulation is bench-marked with previous analytical results for a rigid-line bunch. The algorithm applied in the simulation will be presented, along with the simulation results obtained for bending systems in the Jefferson Lab FEL lattice

Analytic operator approach to fermionic lattice field theories

International Nuclear Information System (INIS)

Duncan, A.

1985-01-01

An analytic Lanczos algorithm previously used to extract the spectrum of bosonic lattice field theories in the continuum region is extended to theories with fermions. The method is illustrated in detail for the (1+1)-dimensional Gross-Neveu model. All parameters in the model (coupling, lattice size N, number of fermion flavors Nsub(F), etc.) appear explicitly in analytic formulas for matrix elements of the hamiltonian. The method is applied to the calculation of the collective field vacuum expectation value and the mass gap, and excellent agreement obtained with explicit results available from the large Nsub(F) solution of the model. (orig.)

Numerical Analysis of Moisture Flow and Concrete Cracking by means of Lattice Type Models

NARCIS (Netherlands)

Jankovic, D.; Küntz, M.; Van Mier, J.G.M.

2001-01-01

Modelling of fluid-flow and the resulting effects on shrinkage and microcracking by means of a combination of two lattice models are presented. For the moisture transport, a Lattice Gas Automaton (LGA) is adopted since it can effectively model moisture loss, whereas for cracking simulation a Lattice

Fully self-consistent GW calculations for molecules

DEFF Research Database (Denmark)

Rostgaard, Carsten; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer

2010-01-01

We calculate single-particle excitation energies for a series of 34 molecules using fully self-consistent GW, one-shot G0W0, Hartree-Fock (HF), and hybrid density-functional theory (DFT). All calculations are performed within the projector-augmented wave method using a basis set of Wannier...... functions augmented by numerical atomic orbitals. The GW self-energy is calculated on the real frequency axis including its full frequency dependence and off-diagonal matrix elements. The mean absolute error of the ionization potential (IP) with respect to experiment is found to be 4.4, 2.6, 0.8, 0.4, and 0...

Criticality of the discrete N-vector ferromagnet in planar self-dual lattices

International Nuclear Information System (INIS)

Mariz, A.M.; Silva, L.R. da; Stella, A.; Tsallis, C.

1989-01-01

An extended version of the discrete N-vector (or cubic) ferromagnetic model withon a real space renormalization group approach which preserves the two-spin correlation function is studied. The N-evolution (for real values of N) of the Wheatstone-bridge hierarchical lattice phase diagram, which presents paramagnetic, intermediate (nematic-like) and ferromagnetic phases, as well as of the thermal υ and crossover φ critical exponents, is presented. The self-avoiding walk problem is recovered in the N → O limit, and the so called ''corner-rule'' is reobtained in a larger context. The Ising, N- and 2N-state Potts ferromagnets are recovered as particular cases. An interchange of stability occurs at N=N* ≅ 6.9 in such a way that the 2N-state Potts special point (were all three existing phases join) is a multicritical one if N N* (consistently φ(N*)=O). For the cubic model, υ(N) presents a maximum at N=N max ≅1.5. The results are exact, for all N, for the Wheatstone-bridge hierarchical lattice, and approximate, for N≤ 2, for the square lattice. The connection between the present approach and the phenomenological renormalization group, is discussed. (author) [pt

Hamiltonian quantization of self-dual tensor fields and a bosonic Nielsen-Ninomiya theorem

International Nuclear Information System (INIS)

Tang Waikeung

1989-01-01

The quantization of self-dual tensor fields is carried out following the procedure of Batalin and Fradkin. The (anti) self-duality constraints (either fermionic or bosonic) in the action leads to the gravitational anomaly. In the process of gauge fixing, the impossibility of the co-existence of a positive hamiltonian and covariant action is shown. A version of the Nielsen-Ninomiya theorem applies to self-dual tensor fields viz. the lattice version of the theory shows species doubling with zero net chirality. (orig.)

Direct writing of room temperature and zero field skyrmion lattices by a scanning local magnetic field

KAUST Repository

Zhang, Senfu; Zhang, Junwei; Zhang, Qiang; Barton, Craig; Neu, Volker; Zhao, Yuelei; Hou, Zhipeng; Wen, Yan; Gong, Chen; Kazakova, Olga; Wang, Wenhong; Peng, Yong; Garanin, Dmitry A.; Chudnovsky, Eugene M.; Zhang, Xixiang

2018-01-01

Magnetic skyrmions are topologically protected nanoscale spin textures exhibiting fascinating physical behaviors. Recent observations of room temperature skyrmions in sputtered multilayer films are an important step towards their use in ultra-low power devices. Such practical applications prefer skyrmions to be stable at zero magnetic fields and room temperature. Here, we report the creation of skyrmion lattices in Pt/Co/Ta multilayers by a scanning local field using magnetic force microscopy tips. We also show that those newly created skyrmion lattices are stable at both room temperature and zero fields. Lorentz transmission electron microscopy measurements reveal that the skyrmions in our films are of Néel-type. To gain a deeper understanding of the mechanism behind the creation of a skyrmion lattice by the scanning of local fields, we perform micromagnetic simulations and find the experimental results to be in agreement with our simulation data. This study opens another avenue for the creation of skyrmion lattices in thin films.

Direct writing of room temperature and zero field skyrmion lattices by a scanning local magnetic field

KAUST Repository

Zhang, Senfu

2018-03-29

Magnetic skyrmions are topologically protected nanoscale spin textures exhibiting fascinating physical behaviors. Recent observations of room temperature skyrmions in sputtered multilayer films are an important step towards their use in ultra-low power devices. Such practical applications prefer skyrmions to be stable at zero magnetic fields and room temperature. Here, we report the creation of skyrmion lattices in Pt/Co/Ta multilayers by a scanning local field using magnetic force microscopy tips. We also show that those newly created skyrmion lattices are stable at both room temperature and zero fields. Lorentz transmission electron microscopy measurements reveal that the skyrmions in our films are of Néel-type. To gain a deeper understanding of the mechanism behind the creation of a skyrmion lattice by the scanning of local fields, we perform micromagnetic simulations and find the experimental results to be in agreement with our simulation data. This study opens another avenue for the creation of skyrmion lattices in thin films.

Direct writing of room temperature and zero field skyrmion lattices by a scanning local magnetic field

Science.gov (United States)

Zhang, Senfu; Zhang, Junwei; Zhang, Qiang; Barton, Craig; Neu, Volker; Zhao, Yuelei; Hou, Zhipeng; Wen, Yan; Gong, Chen; Kazakova, Olga; Wang, Wenhong; Peng, Yong; Garanin, Dmitry A.; Chudnovsky, Eugene M.; Zhang, Xixiang

2018-03-01

Magnetic skyrmions are topologically protected nanoscale spin textures exhibiting fascinating physical behaviors. Recent observations of room temperature skyrmions in sputtered multilayer films are an important step towards their use in ultra-low power devices. Such practical applications prefer skyrmions to be stable at zero magnetic fields and room temperature. Here, we report the creation of skyrmion lattices in Pt/Co/Ta multilayers by a scanning local field using magnetic force microscopy tips. We also show that those newly created skyrmion lattices are stable at both room temperature and zero fields. Lorentz transmission electron microscopy measurements reveal that the skyrmions in our films are of Néel-type. To gain a deeper understanding of the mechanism behind the creation of a skyrmion lattice by the scanning of local fields, we perform micromagnetic simulations and find the experimental results to be in agreement with our simulation data. This study opens another avenue for the creation of skyrmion lattices in thin films.

Scaled lattice fermion fields, stability bounds, and regularity

Science.gov (United States)

O'Carroll, Michael; Faria da Veiga, Paulo A.

2018-02-01

We consider locally gauge-invariant lattice quantum field theory models with locally scaled Wilson-Fermi fields in d = 1, 2, 3, 4 spacetime dimensions. The use of scaled fermions preserves Osterwalder-Seiler positivity and the spectral content of the models (the decay rates of correlations are unchanged in the infinite lattice). In addition, it also results in less singular, more regular behavior in the continuum limit. Precisely, we treat general fermionic gauge and purely fermionic lattice models in an imaginary-time functional integral formulation. Starting with a hypercubic finite lattice Λ ⊂(aZ ) d, a ∈ (0, 1], and considering the partition function of non-Abelian and Abelian gauge models (the free fermion case is included) neglecting the pure gauge interactions, we obtain stability bounds uniformly in the lattice spacing a ∈ (0, 1]. These bounds imply, at least in the subsequential sense, the existence of the thermodynamic (Λ ↗ (aZ ) d) and the continuum (a ↘ 0) limits. Specializing to the U(1) gauge group, the known non-intersecting loop expansion for the d = 2 partition function is extended to d = 3 and the thermodynamic limit of the free energy is shown to exist with a bound independent of a ∈ (0, 1]. In the case of scaled free Fermi fields (corresponding to a trivial gauge group with only the identity element), spectral representations are obtained for the partition function, free energy, and correlations. The thermodynamic and continuum limits of the free fermion free energy are shown to exist. The thermodynamic limit of n-point correlations also exist with bounds independent of the point locations and a ∈ (0, 1], and with no n! dependence. Also, a time-zero Hilbert-Fock space is constructed, as well as time-zero, spatially pointwise scaled fermion creation operators which are shown to be norm bounded uniformly in a ∈ (0, 1]. The use of our scaled fields since the beginning allows us to extract and isolate the singularities of the free

Focusing behavior of the fractal vector optical fields designed by fractal lattice growth model.

Science.gov (United States)

Gao, Xu-Zhen; Pan, Yue; Zhao, Meng-Dan; Zhang, Guan-Lin; Zhang, Yu; Tu, Chenghou; Li, Yongnan; Wang, Hui-Tian

2018-01-22

We introduce a general fractal lattice growth model, significantly expanding the application scope of the fractal in the realm of optics. This model can be applied to construct various kinds of fractal "lattices" and then to achieve the design of a great diversity of fractal vector optical fields (F-VOFs) combinating with various "bases". We also experimentally generate the F-VOFs and explore their universal focusing behaviors. Multiple focal spots can be flexibly enginnered, and the optical tweezers experiment validates the simulated tight focusing fields, which means that this model allows the diversity of the focal patterns to flexibly trap and manipulate micrometer-sized particles. Furthermore, the recovery performance of the F-VOFs is also studied when the input fields and spatial frequency spectrum are obstructed, and the results confirm the robustness of the F-VOFs in both focusing and imaging processes, which is very useful in information transmission.

Fermion Bag Approach to Lattice Hamiltonian Field Theories

Science.gov (United States)

Huffman, Emilie

2018-03-01

Using a model in the Gross-Neveu Ising universality class, we show how the fermion bag idea can be applied to develop algorithms to Hamiltonian lattice field theories. We argue that fermion world lines suggest an alternative method to the traditional techniques for calculating ratios of determinants in a stable manner. We show the power behind these ideas by extracting the physics of the model on large lattices.

A simple model of the plasma deflagration gun including self-consistent electric and magnetic fields

International Nuclear Information System (INIS)

Enloe, C.L.; Reinovsky, R.E.

1985-01-01

At the Air Force Weapons Laboratory, interest has continued for some time in energetic plasma injectors. A possible scheme for such a device is the plasma deflagration gun. When the question arose whether it would be possible to scale a deflagration gun to the multi-megajoule energy level, it became clear that a scaling law which described the fun as a circuit element and allowed one to confidently scale gun parameters would be required. The authors sought to develop a scaling law which self-consistently described the current, magnetic field, and velocity profiles in the gun. They based this scaling law on plasma parameters exclusively, abandoning the fluid approach

Many-body Anderson localization of strongly interacting bosons in random lattices

International Nuclear Information System (INIS)

Katzer, Roman

2015-05-01

In the present work, we investigate the problem of many-body localization of strongly interacting bosons in random lattices within the disordered Bose-Hubbard model. This involves treating both the local Mott-Hubbard physics as well as the non-local quantum interference processes, which give rise to the phenomenon of Anderson localization, within the same theory. In order to determine the interaction induced transition to the Mott insulator phase, it is necessary to treat the local particle interaction exactly. Therefore, here we use a mean-field approach that approximates only the kinetic term of the Hamiltonian. This way, the full problem of interacting bosons on a random lattice is reduced to a local problem of a single site coupled to a particle bath, which has to be solved self-consistently. In accordance to previous works, we find that a finite disorder width leads to a reduced size of the Mott insulating regions. The transition from the superfluid phase to the Bose glass phase is driven by the non-local effect of Anderson localization. In order to describe this transition, one needs to work within a theory that is non-local as well. Therefore, here we introduce a new approach to the problem. Based on the results for the local excitation spectrum obtained within the mean-field theory, we reduce the full, interacting model to an effective, non-interacting model by applying a truncation scheme to the Hilbert space. Evaluating the long-ranged current density within this approximation, we identify the transition from the Bose glass to the superfluid phase with the Anderson transition of the effective model. Resolving this transition using the self-consistent theory of localization, we obtain the full phase diagram of the disordered Bose-Hubbard model in the regime of strong interaction and larger disorder. In accordance to the theorem of inclusions, we find that the Mott insulator and the superfluid phase are always separated by the compressible, but insulating

Toward thermodynamic consistency of quasiparticle picture

International Nuclear Information System (INIS)

Biro, T.S.; Toneev, V.D.; Shanenko, A.A.

2003-01-01

The purpose of the present article is to call attention to some realistic quasiparticle-based description of quark/gluon matter and its consistent implementation in thermodynamics. A simple and transparent representation of the thermodynamic consistency conditions is given. This representation allows one to review critically and systemize available phenomenological approaches to the deconfinement problem with respect to their thermodynamic consistency. Particular attention is paid to the development of a method for treating the string screening in the dense matter of unbound color charges. The proposed method yields an integrable effective pair potential that can be incorporated into the mean-field picture. The results of its application are in reasonable agreement with lattice data on the QCD thermodynamics

Nonequilibrium self-energy functional theory. Accessing the real-time dynamics of strongly correlated fermionic lattice systems

Energy Technology Data Exchange (ETDEWEB)

Hofmann, Felix

2016-07-05

The self-energy functional theory (SFT) is extended to the nonequilibrium case and applied to the real-time dynamics of strongly correlated lattice-fermions. Exploiting the basic structure of the well established equilibrium theory the entire formalism is reformulated in the language of Keldysh-Matsubara Green's functions. To this end, a functional of general nonequilibrium self-energies is constructed which is stationary at the physical point where it moreover yields the physical grand potential of the initial thermal state. Nonperturbative approximations to the full self-energy can be constructed by reducing the original lattice problem to smaller reference systems and varying the functional on the space of the respective trial self-energies, which are parametrized by the reference system's one-particle parameters. Approximations constructed in this way can be shown to respect the macroscopic conservation laws related to the underlying symmetries of the original lattice model. Assuming thermal equilibrium, the original SFT is recovered from the extended formalism. However, in the general case, the nonequilibrium variational principle comprises functional derivatives off the physical parameter space. These can be carried out analytically to derive inherently causal conditional equations for the optimal physical parameters of the reference system and a computationally realizable propagation scheme is set up. As a benchmark for the numerical implementation the variational cluster approach is applied to the dynamics of a dimerized Hubbard model after fast ramps of its hopping parameters. Finally, the time-evolution of a homogeneous Hubbard model after sudden quenches and ramps of the interaction parameter is studied by means of a dynamical impurity approximation with a single bath site. Sharply separated by a critical interaction at which fast relaxation to a thermal final state is observed, two differing response regimes can be distinguished, where the

Pairing gaps from nuclear mean-field models

International Nuclear Information System (INIS)

Bender, M.; Rutz, K.; Maruhn, J.A.

2000-01-01

We discuss the pairing gap, a measure for nuclear pairing correlations, in chains of spherical, semi-magic nuclei in the framework of self-consistent nuclear mean-field models. The equations for the conventional BCS model and the approximate projection-before-variation Lipkin-Nogami method are formulated in terms of local density functionals for the effective interaction. We calculate the Lipkin-Nogami corrections of both the mean-field energy and the pairing energy. Various definitions of the pairing gap are discussed as three-point, four-point and five-point mass-difference formulae, averaged matrix elements of the pairing potential, and single-quasiparticle energies. Experimental values for the pairing gap are compared with calculations employing both a delta pairing force and a density-dependent delta interaction in the BCS and Lipkin-Nogami model. Odd-mass nuclei are calculated in the spherical blocking approximation which neglects part of the the core polarization in the odd nucleus. We find that the five-point mass difference formula gives a very robust description of the odd-even staggering, other approximations for the gap may differ from that up to 30% for certain nuclei. (orig.)

Renormalization in self-consistent approximation schemes at finite temperature I: theory

International Nuclear Information System (INIS)

Hees, H. van; Knoll, J.

2001-07-01

Within finite temperature field theory, we show that truncated non-perturbative self-consistent Dyson resummation schemes can be renormalized with local counter-terms defined at the vacuum level. The requirements are that the underlying theory is renormalizable and that the self-consistent scheme follows Baym's Φ-derivable concept. The scheme generates both, the renormalized self-consistent equations of motion and the closed equations for the infinite set of counter terms. At the same time the corresponding 2PI-generating functional and the thermodynamic potential can be renormalized, in consistency with the equations of motion. This guarantees the standard Φ-derivable properties like thermodynamic consistency and exact conservation laws also for the renormalized approximation scheme to hold. The proof uses the techniques of BPHZ-renormalization to cope with the explicit and the hidden overlapping vacuum divergences. (orig.)

Mean-Field Scaling of the Superfluid to Mott Insulator Transition in a 2D Optical Superlattice.

Science.gov (United States)

Thomas, Claire K; Barter, Thomas H; Leung, Tsz-Him; Okano, Masayuki; Jo, Gyu-Boong; Guzman, Jennie; Kimchi, Itamar; Vishwanath, Ashvin; Stamper-Kurn, Dan M

2017-09-08

The mean-field treatment of the Bose-Hubbard model predicts properties of lattice-trapped gases to be insensitive to the specific lattice geometry once system energies are scaled by the lattice coordination number z. We test this scaling directly by comparing coherence properties of ^{87}Rb gases that are driven across the superfluid to Mott insulator transition within optical lattices of either the kagome (z=4) or the triangular (z=6) geometries. The coherent fraction measured for atoms in the kagome lattice is lower than for those in a triangular lattice with the same interaction and tunneling energies. A comparison of measurements from both lattices agrees quantitatively with the scaling prediction. We also study the response of the gas to a change in lattice geometry, and observe the dynamics as a strongly interacting kagome-lattice gas is suddenly "hole doped" by introducing the additional sites of the triangular lattice.

Thermodynamically self-consistent integral equations and the structure of liquid metals

International Nuclear Information System (INIS)

Pastore, G.; Kahl, G.

1987-01-01

We discuss the application of the new thermodynamically self-consistent integral equations for the determination of the structural properties of liquid metals. We present a detailed comparison of the structure (S(q) and g(r)) for models of liquid alkali metals as obtained from two thermodynamically self-consistent integral equations and some published exact computer simulation results; the range of states extends from the triple point to the expanded metal. The theories which only impose thermodynamic self-consistency without any fitting of external data show an excellent agreement with the simulation results, thus demonstrating that this new type of integral equation is definitely superior to the conventional ones (hypernetted chain, Percus-Yevick, mean spherical approximation, etc). (author)

Higher order alchemical derivatives from coupled perturbed self-consistent field theory.

Science.gov (United States)

Lesiuk, Michał; Balawender, Robert; Zachara, Janusz

2012-01-21

We present an analytical approach to treat higher order derivatives of Hartree-Fock (HF) and Kohn-Sham (KS) density functional theory energy in the Born-Oppenheimer approximation with respect to the nuclear charge distribution (so-called alchemical derivatives). Modified coupled perturbed self-consistent field theory is used to calculate molecular systems response to the applied perturbation. Working equations for the second and the third derivatives of HF/KS energy are derived. Similarly, analytical forms of the first and second derivatives of orbital energies are reported. The second derivative of Kohn-Sham energy and up to the third derivative of Hartree-Fock energy with respect to the nuclear charge distribution were calculated. Some issues of practical calculations, in particular the dependence of the basis set and Becke weighting functions on the perturbation, are considered. For selected series of isoelectronic molecules values of available alchemical derivatives were computed and Taylor series expansion was used to predict energies of the "surrounding" molecules. Predicted values of energies are in unexpectedly good agreement with the ones computed using HF/KS methods. Presented method allows one to predict orbital energies with the error less than 1% or even smaller for valence orbitals. © 2012 American Institute of Physics

Self-consistent Hartree-Fock RPA calculations in 208Pb

Science.gov (United States)

Taqi, Ali H.; Ali, Mohammed S.

2018-01-01

The nuclear structure of 208Pb is studied in the framework of the self-consistent random phase approximation (SCRPA). The Hartree-Fock mean field and single particle states are used to implement a completely SCRPA with Skyrme-type interactions. The Hamiltonian is diagonalised within a model space using five Skyrme parameter sets, namely LNS, SkI3, SkO, SkP and SLy4. In view of the huge number of the existing Skyrme-force parameterizations, the question remains which of them provide the best description of data. The approach attempts to accurately describe the structure of the spherical even-even nucleus 208Pb. To illustrate our approach, we compared the binding energy, charge density distribution, excitation energy levels scheme with the available experimental data. Moreover, we calculated isoscalar and isovector monopole, dipole, and quadrupole transition densities and strength functions.

Self-consistent electron transport in collisional plasmas

International Nuclear Information System (INIS)

Mason, R.J.

1982-01-01

A self-consistent scheme has been developed to model electron transport in evolving plasmas of arbitrary classical collisionality. The electrons and ions are treated as either multiple donor-cell fluids, or collisional particles-in-cell. Particle suprathermal electrons scatter off ions, and drag against fluid background thermal electrons. The background electrons undergo ion friction, thermal coupling, and bremsstrahlung. The components move in self-consistent advanced E-fields, obtained by the Implicit Moment Method, which permits Δt >> ω/sub p/ -1 and Δx >> lambda/sub D/ - offering a 10 2 - 10 3 -fold speed-up over older explicit techniques. The fluid description for the background plasma components permits the modeling of transport in systems spanning more than a 10 7 -fold change in density, and encompassing contiguous collisional and collisionless regions. Results are presented from application of the scheme to the modeling of CO 2 laser-generated suprathermal electron transport in expanding thin foils, and in multi-foil target configurations

Towards a unification of the hierarchical reference theory and the self-consistent Ornstein-Zernike approximation.

Science.gov (United States)

Reiner, A; Høye, J S

2005-12-01

The hierarchical reference theory and the self-consistent Ornstein-Zernike approximation are two liquid state theories that both furnish a largely satisfactory description of the critical region as well as phase coexistence and the equation of state in general. Furthermore, there are a number of similarities that suggest the possibility of a unification of both theories. As a first step towards this goal, we consider the problem of combining the lowest order gamma expansion result for the incorporation of a Fourier component of the interaction with the requirement of consistency between internal and free energies, leaving aside the compressibility relation. For simplicity, we restrict ourselves to a simplified lattice gas that is expected to display the same qualitative behavior as more elaborate models. It turns out that the analytically tractable mean spherical approximation is a solution to this problem, as are several of its generalizations. Analysis of the characteristic equations shows the potential for a practical scheme and yields necessary conditions that any closure to the Ornstein-Zernike relation must fulfill for the consistency problem to be well posed and to have a unique differentiable solution. These criteria are expected to remain valid for more general discrete and continuous systems, even if consistency with the compressibility route is also enforced where possible explicit solutions will require numerical evaluations.

Bookshelf (Quantum Fields on a Lattice, by Istvan Montvay and Gernot Muenster)

Energy Technology Data Exchange (ETDEWEB)

Wolff, U.

1994-09-15

In four space-time dimensions, lattice regularization often represents the only non-perturbative definition of a quantum field theory. On this basis, and in connection with numerical simulation techniques and the spreading of powerful parallel computers, more and more realistic calculations are carried out. There has been a great need for a textbook for advanced students to enter this field. While the recent book by H. J. Rothe (Lattice Gauge Theories, Word Scientific) covers the more formal and analytic aspects, this new book provides excellent coverage of a large section of the field, including details of Monte Carlo simulations and algorithms. It is well suitable to prepare a student for reading reviews as they appear in annual proceedings of lattice conferences. The book starts with an introduction to euclidean fields and path-integrals including nontrivial details like reflection positivity. Here the authors succeed very well in avoiding the use of both over-formal machinery as well as an unduly schematic and superficial presentation. Then several sections introduce lattice scalar, fermion, and gauge fields in the traditional division of field theory texts. Lattice specialties, like the semi-analytic Luescher-Weisz solution and the problem of fermion doubling, are enlarged on. Bridges toward current research are included in chapters on QCD and Higgs and Yukawa models. The book ends with practical considerations about algorithms, including hybrid Monte Carlo, and error analysis. This textbook is an excellent introduction to present day lattice methods for particle physics. In its scope it is almost unrivalled and is a must for every student taking up the subject. The researcher in the field will value it as a standard reference and entry point to the literature.

Bookshelf (Quantum Fields on a Lattice, by Istvan Montvay and Gernot Muenster)

International Nuclear Information System (INIS)

Wolff, U.

1994-01-01

In four space-time dimensions, lattice regularization often represents the only non-perturbative definition of a quantum field theory. On this basis, and in connection with numerical simulation techniques and the spreading of powerful parallel computers, more and more realistic calculations are carried out. There has been a great need for a textbook for advanced students to enter this field. While the recent book by H. J. Rothe (Lattice Gauge Theories, Word Scientific) covers the more formal and analytic aspects, this new book provides excellent coverage of a large section of the field, including details of Monte Carlo simulations and algorithms. It is well suitable to prepare a student for reading reviews as they appear in annual proceedings of lattice conferences. The book starts with an introduction to euclidean fields and path-integrals including nontrivial details like reflection positivity. Here the authors succeed very well in avoiding the use of both over-formal machinery as well as an unduly schematic and superficial presentation. Then several sections introduce lattice scalar, fermion, and gauge fields in the traditional division of field theory texts. Lattice specialties, like the semi-analytic Luescher-Weisz solution and the problem of fermion doubling, are enlarged on. Bridges toward current research are included in chapters on QCD and Higgs and Yukawa models. The book ends with practical considerations about algorithms, including hybrid Monte Carlo, and error analysis. This textbook is an excellent introduction to present day lattice methods for particle physics. In its scope it is almost unrivalled and is a must for every student taking up the subject. The researcher in the field will value it as a standard reference and entry point to the literature.

Approximate self-consistent potentials for density-functional-theory exchange-correlation functionals

International Nuclear Information System (INIS)

Cafiero, Mauricio; Gonzalez, Carlos

2005-01-01

We show that potentials for exchange-correlation functionals within the Kohn-Sham density-functional-theory framework may be written as potentials for simpler functionals multiplied by a factor close to unity, and in a self-consistent field calculation, these effective potentials find the correct self-consistent solutions. This simple theory is demonstrated with self-consistent exchange-only calculations of the atomization energies of some small molecules using the Perdew-Kurth-Zupan-Blaha (PKZB) meta-generalized-gradient-approximation (meta-GGA) exchange functional. The atomization energies obtained with our method agree with or surpass previous meta-GGA calculations performed in a non-self-consistent manner. The results of this work suggest the utility of this simple theory to approximate exchange-correlation potentials corresponding to energy functionals too complicated to generate closed forms for their potentials. We hope that this method will encourage the development of complex functionals which have correct boundary conditions and are free of self-interaction errors without the worry that the functionals are too complex to differentiate to obtain potentials

Self-consistent modelling of ICRH

International Nuclear Information System (INIS)

Hellsten, T.; Hedin, J.; Johnson, T.; Laxaaback, M.; Tennfors, E.

2001-01-01

The performance of ICRH is often sensitive to the shape of the high energy part of the distribution functions of the resonating species. This requires self-consistent calculations of the distribution functions and the wave-field. In addition to the wave-particle interactions and Coulomb collisions the effects of the finite orbit width and the RF-induced spatial transport are found to be important. The inward drift dominates in general even for a symmetric toroidal wave spectrum in the centre of the plasma. An inward drift does not necessarily produce a more peaked heating profile. On the contrary, for low concentrations of hydrogen minority in deuterium plasmas it can even give rise to broader profiles. (author)

Electronic symmetry breaking in polyatomic molecules. Multiconfiguration self-consistent field study of the cyclopropenyl radical C3H3

International Nuclear Information System (INIS)

Hoffmann, M.R.; Laidig, W.D.; Kim, K.S.; Fox, D.J.; Schaefer, H.F. III

1984-01-01

For equilateral triangle geometries (point group D/sub 3h/), the C 3 H 3 radical has a degenerate 2 E'' electronic ground state. Although the 2 A 2 and 2 B 1 components separate in energy for C/sub 2v/ geometries, these two components should have identical energies for equilateral triangle structures. In fact, when approximate wave functions are used and the orbitals not required to transform according to the D/sub 3h/ irreducible representations, an energy separation between the 2 A 2 and 2 B 1 components is observed. At the single configuration self-consistent field (SCF) level of theory this separation is 2.8 kcal with a double-zeta basis set and 2.4 kcal with double-zeta plus polarization. It has been demonstrated that this spurious separation may be greatly reduced using multiconfiguration self-consistent field (up to 7474 variationally optimum configurations) and configuration interaction (up to 60 685 space and spin adapted configurations) techniques. Configurations differing by three and four electrons from the Hartree--Fock reference function are found necessary to reduce the 2 A 2 - 2 B 1 separation to below 0.5 kcal

Quantitative verification of ab initio self-consistent laser theory.

Science.gov (United States)

Ge, Li; Tandy, Robert J; Stone, A D; Türeci, Hakan E

2008-10-13

We generalize and test the recent "ab initio" self-consistent (AISC) time-independent semiclassical laser theory. This self-consistent formalism generates all the stationary lasing properties in the multimode regime (frequencies, thresholds, internal and external fields, output power and emission pattern) from simple inputs: the dielectric function of the passive cavity, the atomic transition frequency, and the transverse relaxation time of the lasing transition.We find that the theory gives excellent quantitative agreement with full time-dependent simulations of the Maxwell-Bloch equations after it has been generalized to drop the slowly-varying envelope approximation. The theory is infinite order in the non-linear hole-burning interaction; the widely used third order approximation is shown to fail badly.

Self-consistent adjoint analysis for topology optimization of electromagnetic waves

Science.gov (United States)

Deng, Yongbo; Korvink, Jan G.

2018-05-01

In topology optimization of electromagnetic waves, the Gâteaux differentiability of the conjugate operator to the complex field variable results in the complexity of the adjoint sensitivity, which evolves the original real-valued design variable to be complex during the iterative solution procedure. Therefore, the self-inconsistency of the adjoint sensitivity is presented. To enforce the self-consistency, the real part operator has been used to extract the real part of the sensitivity to keep the real-value property of the design variable. However, this enforced self-consistency can cause the problem that the derived structural topology has unreasonable dependence on the phase of the incident wave. To solve this problem, this article focuses on the self-consistent adjoint analysis of the topology optimization problems for electromagnetic waves. This self-consistent adjoint analysis is implemented by splitting the complex variables of the wave equations into the corresponding real parts and imaginary parts, sequentially substituting the split complex variables into the wave equations with deriving the coupled equations equivalent to the original wave equations, where the infinite free space is truncated by the perfectly matched layers. Then, the topology optimization problems of electromagnetic waves are transformed into the forms defined on real functional spaces instead of complex functional spaces; the adjoint analysis of the topology optimization problems is implemented on real functional spaces with removing the variational of the conjugate operator; the self-consistent adjoint sensitivity is derived, and the phase-dependence problem is avoided for the derived structural topology. Several numerical examples are implemented to demonstrate the robustness of the derived self-consistent adjoint analysis.

Electron beam charging of insulators: A self-consistent flight-drift model

International Nuclear Information System (INIS)

Touzin, M.; Goeuriot, D.; Guerret-Piecourt, C.; Juve, D.; Treheux, D.; Fitting, H.-J.

2006-01-01

Electron beam irradiation and the self-consistent charge transport in bulk insulating samples are described by means of a new flight-drift model and an iterative computer simulation. Ballistic secondary electron and hole transport is followed by electron and hole drifts, their possible recombination and/or trapping in shallow and deep traps. The trap capture cross sections are the Poole-Frenkel-type temperature and field dependent. As a main result the spatial distributions of currents j(x,t), charges ρ(x,t), the field F(x,t), and the potential slope V(x,t) are obtained in a self-consistent procedure as well as the time-dependent secondary electron emission rate σ(t) and the surface potential V 0 (t). For bulk insulating samples the time-dependent distributions approach the final stationary state with j(x,t)=const=0 and σ=1. Especially for low electron beam energies E 0 G of a vacuum grid in front of the target surface. For high beam energies E 0 =10, 20, and 30 keV high negative surface potentials V 0 =-4, -14, and -24 kV are obtained, respectively. Besides open nonconductive samples also positive ion-covered samples and targets with a conducting and grounded layer (metal or carbon) on the surface have been considered as used in environmental scanning electron microscopy and common SEM in order to prevent charging. Indeed, the potential distributions V(x) are considerably small in magnitude and do not affect the incident electron beam neither by retarding field effects in front of the surface nor within the bulk insulating sample. Thus the spatial scattering and excitation distributions are almost not affected

Stochastic lattice model of synaptic membrane protein domains.

Science.gov (United States)

Li, Yiwei; Kahraman, Osman; Haselwandter, Christoph A

2017-05-01

Neurotransmitter receptor molecules, concentrated in synaptic membrane domains along with scaffolds and other kinds of proteins, are crucial for signal transmission across chemical synapses. In common with other membrane protein domains, synaptic domains are characterized by low protein copy numbers and protein crowding, with rapid stochastic turnover of individual molecules. We study here in detail a stochastic lattice model of the receptor-scaffold reaction-diffusion dynamics at synaptic domains that was found previously to capture, at the mean-field level, the self-assembly, stability, and characteristic size of synaptic domains observed in experiments. We show that our stochastic lattice model yields quantitative agreement with mean-field models of nonlinear diffusion in crowded membranes. Through a combination of analytic and numerical solutions of the master equation governing the reaction dynamics at synaptic domains, together with kinetic Monte Carlo simulations, we find substantial discrepancies between mean-field and stochastic models for the reaction dynamics at synaptic domains. Based on the reaction and diffusion properties of synaptic receptors and scaffolds suggested by previous experiments and mean-field calculations, we show that the stochastic reaction-diffusion dynamics of synaptic receptors and scaffolds provide a simple physical mechanism for collective fluctuations in synaptic domains, the molecular turnover observed at synaptic domains, key features of the observed single-molecule trajectories, and spatial heterogeneity in the effective rates at which receptors and scaffolds are recycled at the cell membrane. Our work sheds light on the physical mechanisms and principles linking the collective properties of membrane protein domains to the stochastic dynamics that rule their molecular components.

Nonequilibrium dynamical mean-field theory

Energy Technology Data Exchange (ETDEWEB)

Eckstein, Martin

2009-12-21

The aim of this thesis is the investigation of strongly interacting quantum many-particle systems in nonequilibrium by means of the dynamical mean-field theory (DMFT). An efficient numerical implementation of the nonequilibrium DMFT equations within the Keldysh formalism is provided, as well a discussion of several approaches to solve effective single-site problem to which lattice models such as the Hubbard-model are mapped within DMFT. DMFT is then used to study the relaxation of the thermodynamic state after a sudden increase of the interaction parameter in two different models: the Hubbard model and the Falicov-Kimball model. In the latter case an exact solution can be given, which shows that the state does not even thermalize after infinite waiting times. For a slow change of the interaction, a transition to adiabatic behavior is found. The Hubbard model, on the other hand, shows a very sensitive dependence of the relaxation on the interaction, which may be called a dynamical phase transition. Rapid thermalization only occurs at the interaction parameter which corresponds to this transition. (orig.)

Nonequilibrium dynamical mean-field theory

International Nuclear Information System (INIS)

Eckstein, Martin

2009-01-01

The aim of this thesis is the investigation of strongly interacting quantum many-particle systems in nonequilibrium by means of the dynamical mean-field theory (DMFT). An efficient numerical implementation of the nonequilibrium DMFT equations within the Keldysh formalism is provided, as well a discussion of several approaches to solve effective single-site problem to which lattice models such as the Hubbard-model are mapped within DMFT. DMFT is then used to study the relaxation of the thermodynamic state after a sudden increase of the interaction parameter in two different models: the Hubbard model and the Falicov-Kimball model. In the latter case an exact solution can be given, which shows that the state does not even thermalize after infinite waiting times. For a slow change of the interaction, a transition to adiabatic behavior is found. The Hubbard model, on the other hand, shows a very sensitive dependence of the relaxation on the interaction, which may be called a dynamical phase transition. Rapid thermalization only occurs at the interaction parameter which corresponds to this transition. (orig.)

Towards thermodynamical consistency of quasiparticle picture

International Nuclear Information System (INIS)

Biro, T.S.; Shanenko, A.A.; Toneev, V.D.; Research Inst. for Particle and Nuclear Physics, Hungarian Academy of Sciences, Budapest

2003-01-01

The purpose of the present article is to call attention to some realistic quasi-particle-based description of the quark/gluon matter and its consistent implementation in thermodynamics. A simple and transparent representation of the thermodynamical consistency conditions is given. This representation allows one to review critically and systemize available phenomenological approaches to the deconfinement problem with respect to their thermodynamical consistency. A particular attention is paid to the development of a method for treating the string screening in the dense matter of unbound color charges. The proposed method yields an integrable effective pair potential, which can be incorporated into the mean-field picture. The results of its application are in reasonable agreement with lattice data on the QCD thermodynamics [ru

Covariant heterotic strings and odd self-dual lattices

International Nuclear Information System (INIS)

Lerche, W.; Luest, D.

1987-01-01

We investigate the implications of modular invariance for covariantly formulated heterotic strings. It is shown that modular invariant heterotic strings are characterized by odd self-dual lorentzian lattices which include charges of the bosonized superconformal ghosts. The proof of modular invariance involves the anomaly in the ghost number current in a crucial way. (orig.)

Non-Gaussianity from self-ordering scalar fields

International Nuclear Information System (INIS)

Figueroa, Daniel G.; Caldwell, Robert R.; Kamionkowski, Marc

2010-01-01

The Universe may harbor relics of the post-inflationary epoch in the form of a network of self-ordered scalar fields. Such fossils, while consistent with current cosmological data at trace levels, may leave too weak an imprint on the cosmic microwave background and the large-scale distribution of matter to allow for direct detection. The non-Gaussian statistics of the density perturbations induced by these fields, however, permit a direct means to probe for these relics. Here we calculate the bispectrum that arises in models of self-ordered scalar fields. We find a compact analytic expression for the bispectrum, evaluate it numerically, and provide a simple approximation that may be useful for data analysis. The bispectrum is largest for triangles that are aligned (have edges k 1 ≅2k 2 ≅2k 3 ) as opposed to the local-model bispectrum, which peaks for squeezed triangles (k 1 ≅k 2 >>k 3 ), and the equilateral bispectrum, which peaks at k 1 ≅k 2 ≅k 3 . We estimate that this non-Gaussianity should be detectable by the Planck satellite if the contribution from self-ordering scalar fields to primordial perturbations is near the current upper limit.

Mass corrections in string theory and lattice field theory

International Nuclear Information System (INIS)

Del Debbio, Luigi; Kerrane, Eoin; Russo, Rodolfo

2009-01-01

Kaluza-Klein (KK) compactifications of higher-dimensional Yang-Mills theories contain a number of 4-dimensional scalars corresponding to the internal components of the gauge field. While at tree level the scalar zero modes are massless, it is well known that quantum corrections make them massive. We compute these radiative corrections at 1 loop in an effective field theory framework, using the background field method and proper Schwinger-time regularization. In order to clarify the proper treatment of the sum over KK modes in the effective field theory approach, we consider the same problem in two different UV completions of Yang-Mills: string theory and lattice field theory. In both cases, when the compactification radius R is much bigger than the scale of the UV completion (R>>√(α ' ), a), we recover a mass renormalization that is independent of the UV scale and agrees with the one derived in the effective field theory approach. These results support the idea that the value of the mass corrections is, in this regime, universal for any UV completion that respects locality and gauge invariance. The string analysis suggests that this property holds also at higher loops. The lattice analysis suggests that the mass of the adjoint scalars appearing in N=2, 4 super Yang-Mills is highly suppressed, even if the lattice regularization breaks all supersymmetries explicitly. This is due to an interplay between the higher-dimensional gauge invariance and the degeneracy of bosonic and fermionic degrees of freedom.

Probabilistic theory of mean field games with applications

CERN Document Server

Carmona, René

2018-01-01

This two-volume book offers a comprehensive treatment of the probabilistic approach to mean field game models and their applications. The book is self-contained in nature and includes original material and applications with explicit examples throughout, including numerical solutions. Volume I of the book is entirely devoted to the theory of mean field games without a common noise. The first half of the volume provides a self-contained introduction to mean field games, starting from concrete illustrations of games with a finite number of players, and ending with ready-for-use solvability results. Readers are provided with the tools necessary for the solution of forward-backward stochastic differential equations of the McKean-Vlasov type at the core of the probabilistic approach. The second half of this volume focuses on the main principles of analysis on the Wasserstein space. It includes Lions' approach to the Wasserstein differential calculus, and the applications of its results to the analysis of stochastic...

Structures of single vortex and vortex lattice in a d-wave superconductor

International Nuclear Information System (INIS)

Xu, J.; Ren, Y.; Ting, C.

1996-01-01

The structures of a single vortex and vortex lattice in a superconductor with d x 2 -y 2 symmetry are studied self-consistently employing a recently developed Ginzburg-Landau theory. Near a single vortex, we found that an s-wave component of the order parameter is always induced, and it causes the local magnetic-field distribution and the d-wave order parameter to have a fourfold anisotropy. It is shown that there is a strong correlation between the structure of a single vortex and the shape of the vortex lattice. Our numerical calculation indicates that the structure of the vortex lattice is always oblique except for temperatures very close to T c where it becomes triangular. The possible connection of the result with experiment is also discussed. copyright 1996 The American Physical Society

Quasi-Particle Self-Consistent GW for Molecules.

Science.gov (United States)

Kaplan, F; Harding, M E; Seiler, C; Weigend, F; Evers, F; van Setten, M J

2016-06-14

We present the formalism and implementation of quasi-particle self-consistent GW (qsGW) and eigenvalue only quasi-particle self-consistent GW (evGW) adapted to standard quantum chemistry packages. Our implementation is benchmarked against high-level quantum chemistry computations (coupled-cluster theory) and experimental results using a representative set of molecules. Furthermore, we compare the qsGW approach for five molecules relevant for organic photovoltaics to self-consistent GW results (scGW) and analyze the effects of the self-consistency on the ground state density by comparing calculated dipole moments to their experimental values. We show that qsGW makes a significant improvement over conventional G0W0 and that partially self-consistent flavors (in particular evGW) can be excellent alternatives.

Lattice Field Theory with the Sign Problem and the Maximum Entropy Method

Directory of Open Access Journals (Sweden)

Masahiro Imachi

2007-02-01

Full Text Available Although numerical simulation in lattice field theory is one of the most effective tools to study non-perturbative properties of field theories, it faces serious obstacles coming from the sign problem in some theories such as finite density QCD and lattice field theory with the θ term. We reconsider this problem from the point of view of the maximum entropy method.

Nonasymptotic mean-field games

KAUST Repository

Tembine, Hamidou

2014-12-01

Mean-field games have been studied under the assumption of very large number of players. For such large systems, the basic idea consists to approximate large games by a stylized game model with a continuum of players. The approach has been shown to be useful in some applications. However, the stylized game model with continuum of decision-makers is rarely observed in practice and the approximation proposed in the asymptotic regime is meaningless for networked systems with few entities. In this paper we propose a mean-field framework that is suitable not only for large systems but also for a small world with few number of entities. The applicability of the proposed framework is illustrated through a dynamic auction with asymmetric valuation distributions.

Nonasymptotic mean-field games

KAUST Repository

Tembine, Hamidou

2014-12-01

Mean-field games have been studied under the assumption of very large number of players. For such large systems, the basic idea consists of approximating large games by a stylized game model with a continuum of players. The approach has been shown to be useful in some applications. However, the stylized game model with continuum of decision-makers is rarely observed in practice and the approximation proposed in the asymptotic regime is meaningless for networks with few entities. In this paper, we propose a mean-field framework that is suitable not only for large systems but also for a small world with few number of entities. The applicability of the proposed framework is illustrated through various examples including dynamic auction with asymmetric valuation distributions, and spiteful bidders.

Vortex lattices in superconducting niobium and skyrmion lattices in chiral MnSi. An investigation by neutron scattering

International Nuclear Information System (INIS)

Muehlbauer, Sebastian C.

2009-01-01

In this thesis, we present a comprehensive small angle neutron scattering study of the vortex lattice (VL) in an ultra-pure Nb single crystal sample, characterized by a residual resistivity ratio of ∝ 10 4 . We systematically investigate the morphology of vortex structures with the magnetic field applied along a four-fold left angle 100 right angle axis. We succeed to deconvolute the general morphology of the VL and its orientation to three dominant mechanisms: First, non-local contributions, second, the transition between open and closed Fermi surface sheets and, third, the intermediate mixed state (IMS) between the Meissner and the Shubnikov phase. We present first time microscopic measurements of the intrinsic bulk VL tilt modulus c 44 by means of time resolved stroboscopic small angle neutron scattering in combination with a tailored magnetic field setup. In our study we find that the VL in Nb responds to an external force - in the form of a changed magnetic field - with an exponential relaxation. As expected, the relaxation process shows increasing VL stiffness with increasing magnetic field and reduced damping with increasing temperature. Besides this general trend, we observe a dramatic changeover of the relaxation process associated with the non-trivial VL morphology in the IMS and the crossover from attractive to repulsive vortex-vortex interaction. Furthermore we use small angle neutron scattering to establish the existence of a skyrmion lattice in the A-phase of MnSi. Due to a parallel alignment of the magnetic field with respect to the neutron beam, we are able to resolve the complete magnetic structure of the A-phase: The structure in the A-phase, reminiscent of a vortex lattice, consists of topological knots of the magnetization with particle-like properties, arranged in a regular six-fold lattice. The orientation of this lattice is strictly driven by the orientation of the applied magnetic field, regardless of the underlying crystal symmetry. The

Vortex lattices in superconducting niobium and skyrmion lattices in chiral MnSi. An investigation by neutron scattering

Energy Technology Data Exchange (ETDEWEB)

Muehlbauer, Sebastian C

2009-12-10

In this thesis, we present a comprehensive small angle neutron scattering study of the vortex lattice (VL) in an ultra-pure Nb single crystal sample, characterized by a residual resistivity ratio of {proportional_to} 10{sup 4}. We systematically investigate the morphology of vortex structures with the magnetic field applied along a four-fold left angle 100 right angle axis. We succeed to deconvolute the general morphology of the VL and its orientation to three dominant mechanisms: First, non-local contributions, second, the transition between open and closed Fermi surface sheets and, third, the intermediate mixed state (IMS) between the Meissner and the Shubnikov phase. We present first time microscopic measurements of the intrinsic bulk VL tilt modulus c{sub 44} by means of time resolved stroboscopic small angle neutron scattering in combination with a tailored magnetic field setup. In our study we find that the VL in Nb responds to an external force - in the form of a changed magnetic field - with an exponential relaxation. As expected, the relaxation process shows increasing VL stiffness with increasing magnetic field and reduced damping with increasing temperature. Besides this general trend, we observe a dramatic changeover of the relaxation process associated with the non-trivial VL morphology in the IMS and the crossover from attractive to repulsive vortex-vortex interaction. Furthermore we use small angle neutron scattering to establish the existence of a skyrmion lattice in the A-phase of MnSi. Due to a parallel alignment of the magnetic field with respect to the neutron beam, we are able to resolve the complete magnetic structure of the A-phase: The structure in the A-phase, reminiscent of a vortex lattice, consists of topological knots of the magnetization with particle-like properties, arranged in a regular six-fold lattice. The orientation of this lattice is strictly driven by the orientation of the applied magnetic field, regardless of the underlying

Self-consistent electric field effect on electron transport of ECH plasmas

International Nuclear Information System (INIS)

Chan, V.S.; Murakami, S.

1999-02-01

An algorithm is proposed which treats the ECH generated potential in a self-consistent way, by extending the Monte-Carlo Fokker-Planck method used by Murakami [S. Murakami et al., Proc. 17th IAEA Fusion Energy Conference, Yokohama, 1998 (International Atomic Energy Agency, Vienna, in press), paper CN-69/TH2/1]. The additional physics is expected to influence the transport of both thermal and suprathermal electrons in a helical toroidal system. (author)

Non-Abelian vortex lattices

Science.gov (United States)

Tallarita, Gianni; Peterson, Adam

2018-04-01

We perform a numerical study of the phase diagram of the model proposed in [M. Shifman, Phys. Rev. D 87, 025025 (2013)., 10.1103/PhysRevD.87.025025], which is a simple model containing non-Abelian vortices. As per the case of Abrikosov vortices, we map out a region of parameter space in which the system prefers the formation of vortices in ordered lattice structures. These are generalizations of Abrikosov vortex lattices with extra orientational moduli in the vortex cores. At sufficiently large lattice spacing the low energy theory is described by a sum of C P (1 ) theories, each located on a vortex site. As the lattice spacing becomes smaller, when the self-interaction of the orientational field becomes relevant, only an overall rotation in internal space survives.

Mean-field Ensemble Kalman Filter

KAUST Repository

Law, Kody; Tembine, Hamidou; Tempone, Raul

2015-01-01

A proof of convergence of the standard EnKF generalized to non-Gaussian state space models is provided. A density-based deterministic approximation of the mean-field limiting EnKF (MFEnKF) is proposed, consisting of a PDE solver and a quadrature

Consistency relation and inflaton field redefinition in the δN formalism

Energy Technology Data Exchange (ETDEWEB)

Domènech, Guillem [Center for Gravitational Physics, Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan); Gong, Jinn-Ouk, E-mail: jinn-ouk.gong@apctp.org [Asia Pacific Center for Theoretical Physics, Pohang 37673 (Korea, Republic of); Department of Physics, Postech, Pohang 37673 (Korea, Republic of); Sasaki, Misao [Center for Gravitational Physics, Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan)

2017-06-10

We compute for general single-field inflation the intrinsic non-Gaussianity due to the self-interactions of the inflaton field in the squeezed limit. We recover the consistency relation in the context of the δN formalism, and argue that there is a particular field redefinition that makes the intrinsic non-Gaussianity vanishing, thus improving the estimate of the local non-Gaussianity using the δN formalism.

Calculation of self-consistent potentials for substitutionally disordered systems with application to the Ag/sub x/-Pd/sub 1-x/ alloy series

International Nuclear Information System (INIS)

Winter, H.; Stocks, G.M.

1983-01-01

Previous Korringa-Kohn-Rostoker coherent-potential-approximation electronic-structure calculations for substitutionally random alloys have been based on ad hoc potentials. The lack of procedures suitable to provide self-consistent, parameter-free potentials prevented computations for systems consisting of dissimilar atoms and is also the reason why quantities like, for example, cohesive energies or lattice constants, have not so far been evaluated for systems of similar constituents. We present in full detail a generally applicable scheme devised for calculating the self-consistent electronic structures of substitutionally disordered systems. Its feasibility is demonstrated by presenting the results obtained for the Ag/sub x/Pd/sub 1-x/ alloy series. They are compared with those of former non-self-consistent calculations which use Mattheiss prescription potentials and the α = 1 Slater exchange, whereas the von Barth--Hedin expression is employed in our work. The differences are perceptible and have to be understood as combined self-consistency and exchange-correlation effects. .ID BW2039 .PG 905 909

Bistable near field and bistable transmittance in 2D composite slab consisting of nonlocal core-Kerr shell inclusions.

Science.gov (United States)

Huang, Yang; Wu, Ya Min; Gao, Lei

2017-01-23

We carry out a theoretical study on optical bistability of near field intensity and transmittance in two-dimensional nonlinear composite slab. This kind of 2D composite is composed of nonlocal metal/Kerr-type dielectric core-shell inclusions randomly embedded in the host medium, and we derivate the nonlinear relation between the field intensity in the shell of inclusions and the incident field intensity with self-consistent mean field approximation. Numerical demonstration has been performed to show the viable parameter space for the bistable near field. We show that nonlocality can provide broader region in geometric parameter space for bistable near field as well as bistable transmittance of the nonlocal composite slab compared to local case. Furthermore, we investigate the bistable transmittance in wavelength spectrum, and find that besides the input intensity, the wavelength operation could as well make the transmittance jump from a high value to a low one. This kind of self-tunable nano-composite slab might have potential application in optical switching devices.

RVB signatures in the spin dynamics of the square-lattice Heisenberg antiferromagnet

Science.gov (United States)

Ghioldi, E. A.; Gonzalez, M. G.; Manuel, L. O.; Trumper, A. E.

2016-03-01

We investigate the spin dynamics of the square-lattice spin-\\frac{1}{2} Heisenberg antiferromagnet by means of an improved mean-field Schwinger boson calculation. By identifying both, the long-range Néel and the RVB-like components of the ground state, we propose an educated guess for the mean-field magnetic excitation consisting on a linear combination of local and bond spin flips to compute the dynamical structure factor. Our main result is that when this magnetic excitation is optimized in such a way that the corresponding sum rule is fulfilled, we recover the low- and high-energy spectral weight features of the experimental spectrum. In particular, the anomalous spectral weight depletion at (π,0) found in recent inelastic neutron scattering experiments can be attributed to the interference of the triplet bond excitations of the RVB component of the ground state. We conclude that the Schwinger boson theory seems to be a good candidate to adequately interpret the dynamic properties of the square-lattice Heisenberg antiferromagnet.

Self-consistent theory of hadron-nucleus scattering. Application to pion physics

International Nuclear Information System (INIS)

Johnson, M.B.

1981-01-01

The first part of this set of two seminars will consist of a review of several of the important accomplishments made in the last few years in the field of pion-nucleus physics. Next I discuss some questions raised by these accomplishments and show that for some very natural reasons the commonly employed theoretical methods cannot be applied to answer these questions. This situation leads to the idea of self-consistency, which is first explained in a general context. The remainder of the seminars are devoted to illustrating the idea within a simple multiple-scattering model for the case of pion scattering. An evaluation of the effectiveness of the self-consistent requirment to produce a solution to the model is made, and a few of the questions raised by recent accomplishments in the field of pion physics are addressed in the model. Finally, the results of the model calculation are compared to experimental data and implications of the results discussed. (orig./HSI)

Topics in two dimensional conformal field theory and three dimensional topological lattice field theory

International Nuclear Information System (INIS)

Chung, Stephen-wei.

1993-01-01

The authors first construct new parafermions in two-dimensional conformal field theory, generalizing the Z L parafermion theories from integer L to rational L. These non-unitary parafermions have some novel features: an infinite number of currents with negative conformal dimensions for most (if not all) of them. String functions of these new parafermion theories are calculated. They also construct new representations of N = 2 superconformal field theories, whose characters are obtained in terms of these new string functions. They then generalize Felder's BRST cohomology method to construct the characters and branching functions of the SU(2) L x SU(2) K /SU(2) K+L coset theories, where one of the (K,L) is an integer. This method of obtaining the branching functions also serves as a check of their new Z L parafermion theories. The next topic is the Lagrangian formulation of conformal field theory. They construct a chiral gauged WZW theory where the gauge fields are chiral and belong to the subgroups H L and H R , which can be different groups. This new construction is beyond the ordinary vector gauged WZW theory, whose gauge group H is a subgroup of both G L and G R . In the special case where H L = H R , the quantum theory of chiral gauged WZW theory is equivalent to that of the vector gauged WZW theory. It can be further shown that the chiral gauged WZW theory is equivalent to [G L /H L ](z) direct-product [G R /H R ](bar z) coset models in conformal field theory. In the second half of this thesis, they construct topological lattice field theories in three dimensions. After defining a general class of local lattice field theories, they impose invariance under arbitrary topology-preserving deformations of the underlying lattice, which are generated by two local lattice moves. Invariant solutions are in one-to-one correspondence with Hopf algebras satisfying a certain constraint

The solution of the Poisson-Boltzmann's equation for self-consistent potential of infinite, random, nonlinear and non-uniform system

International Nuclear Information System (INIS)

Rasulova, M.Yu

1998-01-01

A study has been made of a system of charged particles and inhomogeneities randomly distributed in accordance with the same law in the neighborhoods of corresponding sites of a planar crystal lattice. The existence and uniqueness of the solution of the generalized Poisson-Boltzmann's equation for the average self-consistent potential and average density of surface charges are proved. (author)

Controlled generation of nonlinear resonances through sinusoidal lattice modes in Bose–Einstein condensate

International Nuclear Information System (INIS)

Das, Priyam; Panigrahi, Prasanta K

2015-01-01

We study Bose–Einstein condensate in the combined presence of time modulated optical lattice and harmonic trap in the mean-field approach. Through the self-similar method, we show the existence of sinusoidal lattice modes in this inhomogeneous system, commensurate with the lattice potential. A significant advantage of this system is wide tunability of the parameters through chirp management. The combined effect of the interaction, harmonic trap and lattice potential leads to the generation of nonlinear resonances, exactly where the matter wave changes its direction. When the harmonic trap is switched off, the BEC undergoes a nonlinear compression for the static optical lattice potential. For better understanding of chirp management and the nature of the sinusoidal excitation, we investigate the energy spectrum of the condensate, which clearly reveals the generation of nonlinear resonances in the appropriate regime. We have also identified a classical dynamical phase transition occurring in the system, where loss of superfluidity takes the superfluid phase to an insulating state. (paper)

Simulations of Tokamak Edge Turbulence Including Self-Consistent Zonal Flows

Science.gov (United States)

Cohen, Bruce; Umansky, Maxim

2013-10-01

Progress on simulations of electromagnetic drift-resistive ballooning turbulence in the tokamak edge is summarized in this mini-conference talk. A more detailed report on this work is presented in a poster at this conference. This work extends our previous work to include self-consistent zonal flows and their effects. The previous work addressed the simulation of L-mode tokamak edge turbulence using the turbulence code BOUT. The calculations used realistic single-null geometry and plasma parameters of the DIII-D tokamak and produced fluctuation amplitudes, fluctuation spectra, and particle and thermal fluxes that compare favorably to experimental data. In the effect of sheared ExB poloidal rotation is included with an imposed static radial electric field fitted to experimental data. In the new work here we include the radial electric field self-consistently driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We present simulations with/without zonal flows for both cylindrical geometry, as in the UCLA Large Plasma Device, and for the DIII-D tokamak L-mode cases in to quantify the influence of self-consistent zonal flows on the microturbulence and the concomitant transport. This work was performed under the auspices of the US Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory.

Simulations of relativistic quantum plasmas using real-time lattice scalar QED

Science.gov (United States)

Shi, Yuan; Xiao, Jianyuan; Qin, Hong; Fisch, Nathaniel J.

2018-05-01

Real-time lattice quantum electrodynamics (QED) provides a unique tool for simulating plasmas in the strong-field regime, where collective plasma scales are not well separated from relativistic-quantum scales. As a toy model, we study scalar QED, which describes self-consistent interactions between charged bosons and electromagnetic fields. To solve this model on a computer, we first discretize the scalar-QED action on a lattice, in a way that respects geometric structures of exterior calculus and U(1)-gauge symmetry. The lattice scalar QED can then be solved, in the classical-statistics regime, by advancing an ensemble of statistically equivalent initial conditions in time, using classical field equations obtained by extremizing the discrete action. To demonstrate the capability of our numerical scheme, we apply it to two example problems. The first example is the propagation of linear waves, where we recover analytic wave dispersion relations using numerical spectrum. The second example is an intense laser interacting with a one-dimensional plasma slab, where we demonstrate natural transition from wakefield acceleration to pair production when the wave amplitude exceeds the Schwinger threshold. Our real-time lattice scheme is fully explicit and respects local conservation laws, making it reliable for long-time dynamics. The algorithm is readily parallelized using domain decomposition, and the ensemble may be computed using quantum parallelism in the future.

Self-consistent relativistic Boltzmann-Uehling-Uhlenbeck equation for the Δ distribution function

International Nuclear Information System (INIS)

Mao, G.; Li, Z.; Zhuo, Y.

1996-01-01

We derive the self-consistent relativistic Boltzmann-Uehling-Uhlenbeck (RBUU) equation for the delta distribution function within the framework which we have done for nucleon close-quote s. In our approach, the Δ isobars are treated in essentially the same way as nucleons. Both mean field and collision terms of Δ close-quote s RBUU equation are derived from the same effective Lagrangian and presented analytically. We calculate the in-medium NΔ elastic and inelastic scattering cross sections up to twice nuclear matter density and the results show that the in-medium cross sections deviate substantially from Cugnon close-quote s parametrization that is commonly used in the transport model. copyright 1996 The American Physical Society

Beyond mean-field approximations for accurate and computationally efficient models of on-lattice chemical kinetics

Science.gov (United States)

Pineda, M.; Stamatakis, M.

2017-07-01

Modeling the kinetics of surface catalyzed reactions is essential for the design of reactors and chemical processes. The majority of microkinetic models employ mean-field approximations, which lead to an approximate description of catalytic kinetics by assuming spatially uncorrelated adsorbates. On the other hand, kinetic Monte Carlo (KMC) methods provide a discrete-space continuous-time stochastic formulation that enables an accurate treatment of spatial correlations in the adlayer, but at a significant computation cost. In this work, we use the so-called cluster mean-field approach to develop higher order approximations that systematically increase the accuracy of kinetic models by treating spatial correlations at a progressively higher level of detail. We further demonstrate our approach on a reduced model for NO oxidation incorporating first nearest-neighbor lateral interactions and construct a sequence of approximations of increasingly higher accuracy, which we compare with KMC and mean-field. The latter is found to perform rather poorly, overestimating the turnover frequency by several orders of magnitude for this system. On the other hand, our approximations, while more computationally intense than the traditional mean-field treatment, still achieve tremendous computational savings compared to KMC simulations, thereby opening the way for employing them in multiscale modeling frameworks.

Dielectric lattice gauge theory

International Nuclear Information System (INIS)

Mack, G.

1983-06-01

Dielectric lattice gauge theory models are introduced. They involve variables PHI(b)epsilong that are attached to the links b = (x+esub(μ),x) of the lattice and take their values in the linear space g which consists of real linear combinations of matrices in the gauge group G. The polar decomposition PHI(b)=U(b)osub(μ)(x) specifies an ordinary lattice gauge field U(b) and a kind of dielectric field epsilonsub(ij)proportionalosub(i)osub(j)sup(*)deltasub(ij). A gauge invariant positive semidefinite kinetic term for the PHI-field is found, and it is shown how to incorporate Wilson fermions in a way which preserves Osterwalder Schrader positivity. Theories with G = SU(2) and without matter fields are studied in some detail. It is proved that confinement holds, in the sense that Wilson loop expectation values show an area law decay, if the Euclidean action has certain qualitative features which imply that PHI = 0 (i.e. dielectric field identical 0) is the unique maximum of the action. (orig.)

Dielectric lattice gauge theory

International Nuclear Information System (INIS)

Mack, G.

1984-01-01

Dielectric lattice gauge theory models are introduced. They involve variables PHI(b)element ofG that are attached to the links b = (x+esub(μ), x) of the lattice and take their values in the linear space G which consists of real linear combinations of matrices in the gauge group G. The polar decomposition PHI(b)=U(b)sigmasub(μ)(x) specifies an ordinary lattice gauge field U(b) and a kind of dielectric field epsilonsub(ij)proportional sigmasub(i)sigmasub(j)sup(*)deltasub(ij). A gauge invariant positive semidefinite kinetic term for the PHI-field is found, and it is shown how to incorporate Wilson fermions in a way which preserves Osterwalder-Schrader positivity. Theories with G = SU(2) and without matter fields are studied in some detail. It is proved that confinement holds, in the sense that Wilson-loop expectation values show an area law decay, if the euclidean action has certain qualitative features which imply that PHI=0 (i.e. dielectric field identical 0) is the unique maximum of the action. (orig.)

Relativistic deformed mean-field calculation of binding energy differences of mirror nuclei

International Nuclear Information System (INIS)

Koepf, W.; Barreiro, L.A.

1996-01-01

Binding energy differences of mirror nuclei for A=15, 17, 27, 29, 31, 33, 39 and 41 are calculated in the framework of relativistic deformed mean-field theory. The spatial components of the vector meson fields and the photon are fully taken into account in a self-consistent manner. The calculated binding energy differences are systematically smaller than the experimental values and lend support to the existence of the Okamoto-Nolen-Schiffer anomaly found decades ago in nonrelativistic calculations. For the majority of the nuclei studied, however, the results are such that the anomaly is significantly smaller than the one obtained within state-of-the-art nonrelativistic calculations. (author). 35 refs

Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

International Nuclear Information System (INIS)

Omar, M.S.

2012-01-01

Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å 3 for bulk to 57 Å 3 for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10 −6 K −1 for a bulk crystal down to a minimum value of 0.1 × 10 −6 K −1 for a 6 nm diameter nanoparticle.

Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

Energy Technology Data Exchange (ETDEWEB)

Omar, M.S., E-mail: dr_m_s_omar@yahoo.com [Department of Physics, College of Science, University of Salahaddin-Erbil, Arbil, Kurdistan (Iraq)

2012-11-15

Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å{sup 3} for bulk to 57 Å{sup 3} for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10{sup −6} K{sup −1} for a bulk crystal down to a minimum value of 0.1 × 10{sup −6} K{sup −1} for a 6 nm diameter nanoparticle.

Lattice distortion under an electric field in BaTiO3 piezoelectric single crystal

International Nuclear Information System (INIS)

Tazaki, Ryoko; Fu Desheng; Daimon, Masahiro; Koshihara, Shin-ya; Itoh, Mitsuru

2009-01-01

Lattice distortions under an electric field in a mono-domain of BaTiO 3 ferroelectric crystal have been detected with synchrotron x-ray radiation. The variation of the lattice constant with an electric field observed with high angle diffraction shows a linear response nature of the piezoelectric effect. When an electric field is applied along the spontaneous polarization direction, the c-axis of the lattice elongates and the a-axis of the lattice shrinks at a rate of d 33 = 149 ± 54 pm V -1 and d 31 = -82 ± 61 pm V -1 ; these represent the longitudinal and transverse piezoelectric coefficients of BaTiO 3 crystal, respectively. These results give an insight into the intrinsic piezoelectric response on the lattice scale in BaTiO 3 that has been widely used to explore high performance lead-free piezoelectric alloys.

Self-field effects on electron dynamics in free-electron lasers with axial magnetic field

International Nuclear Information System (INIS)

Mirzanejhad, S.; Maraghechi, B.; Mohsenpour, T.

2004-01-01

A self-consistent method for the analysis of self-magnetic field for a free-electron laser with a one-dimensional helical wiggler and an axial guide magnetic field is presented. The equilibrium orbits and their stability, under the influence of self-electric and self-magnetic fields, are analyzed. New unstable orbits, in the first part of the Group I orbits and in the resonance region of the Group II orbits, are found. It is shown that an increase in the defocusing effect of self-fields will widen the unstable orbits. An anomalous self-field regime is found where an increase in the defocusing effect of self-fields can have stabilizing effect on the resonance region

Self-consistent field theory for the interactions between keratin intermediate filaments

International Nuclear Information System (INIS)

Akinshina, Anna; Jambon-Puillet, Etienne; Warren, Patrick B; Noro, Massimo G

2013-01-01

Keratins are important structural proteins found in skin, hair and nails. Keratin Intermediate Filaments are major components of corneocytes, nonviable horny cells of the Stratum Corneum, the outermost layer of skin. It is considered that interactions between unstructured domains of Keratin Intermediate Filaments are the key factor in maintaining the elasticity of the skin. We have developed a model for the interactions between keratin intermediate filaments based on self-consistent field theory. The intermediate filaments are represented by charged surfaces, and the disordered terminal domains of the keratins are represented by charged heteropolymers grafted to these surfaces. We estimate the system is close to a charge compensation point where the heteropolymer grafting density is matched to the surface charge density. Using a protein model with amino acid resolution for the terminal domains, we find that the terminal chains can mediate a weak attraction between the keratin surfaces. The origin of the attraction is a combination of bridging and electrostatics. The attraction disappears when the system moves away from the charge compensation point, or when excess small ions and/or NMF-representing free amino acids are added. These results are in concordance with experimental observations, and support the idea that the interaction between keratin filaments, and ultimately in part the elastic properties of the keratin-containing tissue, is controlled by a combination of the physico-chemical properties of the disordered terminal domains and the composition of the medium in the inter-filament region

Final Report Fermionic Symmetries and Self consistent Shell Model

International Nuclear Information System (INIS)

Zamick, Larry

2008-01-01

In this final report in the field of theoretical nuclear physics we note important accomplishments.We were confronted with 'anomoulous' magnetic moments by the experimetalists and were able to expain them. We found unexpected partial dynamical symmetries--completely unknown before, and were able to a large extent to expain them. The importance of a self consistent shell model was emphasized.

Functional visual fields: relationship of visual field areas to self-reported function.

Science.gov (United States)

Subhi, Hikmat; Latham, Keziah; Myint, Joy; Crossland, Michael D

2017-07-01

The aim of this study is to relate areas of the visual field to functional difficulties to inform the development of a binocular visual field assessment that can reflect the functional consequences of visual field loss. Fifty-two participants with peripheral visual field loss undertook binocular assessment of visual fields using the 30-2 and 60-4 SITA Fast programs on the Humphrey Field Analyser, and mean thresholds were derived. Binocular visual acuity, contrast sensitivity and near reading performance were also determined. Self-reported overall and mobility function were assessed using the Dutch ICF Activity Inventory. Greater visual field loss (0-60°) was associated with worse self-reported function both overall (R 2 = 0.50; p function (R 2 = 0.61, p function in multiple regression analyses. Superior and inferior visual field areas related similarly to mobility function (R 2 = 0.56, p function in multiple regression analysis. Mean threshold of the binocular visual field to 60° eccentricity is a good predictor of self-reported function overall, and particularly of mobility function. Both the central (0-30°) and peripheral (30-60°) mean threshold are good predictors of self-reported function, but the peripheral (30-0°) field is a slightly better predictor of mobility function, and should not be ignored when considering functional consequences of field loss. The inferior visual field is a slightly stronger predictor of perceived overall and mobility function than the superior field. © 2017 The Authors Ophthalmic & Physiological Optics © 2017 The College of Optometrists.

Self-consistency in Capital Markets

Science.gov (United States)

Benbrahim, Hamid

2013-03-01

Capital Markets are considered, at least in theory, information engines whereby traders contribute to price formation with their diverse perspectives. Regardless whether one believes in efficient market theory on not, actions by individual traders influence prices of securities, which in turn influence actions by other traders. This influence is exerted through a number of mechanisms including portfolio balancing, margin maintenance, trend following, and sentiment. As a result market behaviors emerge from a number of mechanisms ranging from self-consistency due to wisdom of the crowds and self-fulfilling prophecies, to more chaotic behavior resulting from dynamics similar to the three body system, namely the interplay between equities, options, and futures. This talk will address questions and findings regarding the search for self-consistency in capital markets.

Aliasing modes in the lattice Schwinger model

International Nuclear Information System (INIS)

Campos, Rafael G.; Tututi, Eduardo S.

2007-01-01

We study the Schwinger model on a lattice consisting of zeros of the Hermite polynomials that incorporates a lattice derivative and a discrete Fourier transform with many properties. Such a lattice produces a Klein-Gordon equation for the boson field and the exact value of the mass in the asymptotic limit if the boundaries are not taken into account. On the contrary, if the lattice is considered with boundaries new modes appear due to aliasing effects. In the continuum limit, however, this lattice yields also a Klein-Gordon equation with a reduced mass

Long-range interactions in lattice field theory

International Nuclear Information System (INIS)

Rabin, J.M.

1981-06-01

Lattice quantum field theories containing fermions can be formulated in a chirally invariant way provided long-range interactions are introduced. It is established that in weak-coupling perturbation theory such a lattice theory is renormalizable when the corresponding continuum theory is, and that the continuum theory is indeed recovered in the perturbative continuum limit. In the strong-coupling limit of these theories one is led to study an effective Hamiltonian describing a Heisenberg antiferromagnet with long-range interactions. Block-spin renormalization group methods are used to find a critical rate of falloff of the interactions, approximately as inverse distance squared, which separates a nearest-neighbor-antiferromagnetic phase from a phase displaying identifiable long-range effects. A duality-type symmetry is present in some block-spin calculations

Long-range interactions in lattice field theory

Energy Technology Data Exchange (ETDEWEB)

Rabin, J.M.

1981-06-01

Lattice quantum field theories containing fermions can be formulated in a chirally invariant way provided long-range interactions are introduced. It is established that in weak-coupling perturbation theory such a lattice theory is renormalizable when the corresponding continuum theory is, and that the continuum theory is indeed recovered in the perturbative continuum limit. In the strong-coupling limit of these theories one is led to study an effective Hamiltonian describing a Heisenberg antiferromagnet with long-range interactions. Block-spin renormalization group methods are used to find a critical rate of falloff of the interactions, approximately as inverse distance squared, which separates a nearest-neighbor-antiferromagnetic phase from a phase displaying identifiable long-range effects. A duality-type symmetry is present in some block-spin calculations.

Nonperturbative renormalization of nonlocal quark bilinears for quasi-PDFs on the lattice using an auxiliary field

Energy Technology Data Exchange (ETDEWEB)

Green, Jeremy; Jansen, Karl; Steffens, Fernanda [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

2017-07-15

Quasi-PDFs provide a path toward an ab initio calculation of parton distribution functions (PDFs) using lattice QCD. One of the problems faced in calculations of quasi-PDFs is the renormalization of a nonlocal operator. By introducing an auxiliary field, we can replace the nonlocal operator with a pair of local operators in an extended theory. On the lattice, this is closely related to the static quark theory. In this approach, we show how to understand the pattern of mixing that is allowed by chiral symmetry breaking, and obtain a master formula for renormalizing the nonlocal operator that depends on three parameters. We present an approach for nonperturbatively determining these parameters and use perturbation theory to convert to the MS scheme. Renormalization parameters are obtained for two lattice spacings using Wilson twisted mass fermions and for different discretizations of the Wilson line in the nonlocal operator. Using these parameters we show the effect of renormalization on nucleon matrix elements with pion mass approximately 370 MeV, and compare renormalized results for the two lattice spacings. The renormalized matrix elements are consistent among the different Wilson line discretizations and lattice spacings.

Nonperturbative renormalization of nonlocal quark bilinears for quasi-PDFs on the lattice using an auxiliary field

International Nuclear Information System (INIS)

Green, Jeremy; Jansen, Karl; Steffens, Fernanda

2017-07-01

Quasi-PDFs provide a path toward an ab initio calculation of parton distribution functions (PDFs) using lattice QCD. One of the problems faced in calculations of quasi-PDFs is the renormalization of a nonlocal operator. By introducing an auxiliary field, we can replace the nonlocal operator with a pair of local operators in an extended theory. On the lattice, this is closely related to the static quark theory. In this approach, we show how to understand the pattern of mixing that is allowed by chiral symmetry breaking, and obtain a master formula for renormalizing the nonlocal operator that depends on three parameters. We present an approach for nonperturbatively determining these parameters and use perturbation theory to convert to the MS scheme. Renormalization parameters are obtained for two lattice spacings using Wilson twisted mass fermions and for different discretizations of the Wilson line in the nonlocal operator. Using these parameters we show the effect of renormalization on nucleon matrix elements with pion mass approximately 370 MeV, and compare renormalized results for the two lattice spacings. The renormalized matrix elements are consistent among the different Wilson line discretizations and lattice spacings.

Quasi-particles and effective mean field in strongly interacting matter

International Nuclear Information System (INIS)

Levai, P.; Ko, C.M.

2010-01-01

We introduce a quasi-particle model of strongly interacting quark-gluon matter and explore the possible connection to an effective field theoretical description consisting of a scalar σ field by introducing a dynamically generated mass, M(σ), and a self-consistently determined interaction term, B(σ). We display a possible connection between the two types of effective description, using the Friedberg-Lee model.

Full self-consistency versus quasiparticle self-consistency in diagrammatic approaches: exactly solvable two-site Hubbard model.

Science.gov (United States)

Kutepov, A L

2015-08-12

Self-consistent solutions of Hedin's equations (HE) for the two-site Hubbard model (HM) have been studied. They have been found for three-point vertices of increasing complexity (Γ = 1 (GW approximation), Γ1 from the first-order perturbation theory, and the exact vertex Γ(E)). Comparison is made between the cases when an additional quasiparticle (QP) approximation for Green's functions is applied during the self-consistent iterative solving of HE and when QP approximation is not applied. The results obtained with the exact vertex are directly related to the present open question-which approximation is more advantageous for future implementations, GW + DMFT or QPGW + DMFT. It is shown that in a regime of strong correlations only the originally proposed GW + DMFT scheme is able to provide reliable results. Vertex corrections based on perturbation theory (PT) systematically improve the GW results when full self-consistency is applied. The application of QP self-consistency combined with PT vertex corrections shows similar problems to the case when the exact vertex is applied combined with QP sc. An analysis of Ward Identity violation is performed for all studied in this work's approximations and its relation to the general accuracy of the schemes used is provided.

Semiclassical analysis of the weak-coupling limit of SU(2) lattice gauge theory: The subspace of constant fields

International Nuclear Information System (INIS)

Bartels, J.; Wu, T.T.

1988-01-01

This paper contains the first part of a systematic semiclassical analysis of the weak-coupling limit of lattice gauge theories, using the Hamiltonian formulation. The model consists of an N 3 cubic lattice of pure SU(2) Yang-Mills theory, and in this first part we limit ourselves to the subspace of constant field configurations. We investigate the flow of classical trajectories, with a particular emphasis on the existence and location of caustics. There the ground-state wave function is expected to peak. It is found that regions densely filled with caustics are very close to the origin, i.e., in the domain of weak field configurations. This strongly supports the expectation that caustics are essential for quantities of physical interest

Quasiparticle self-consistent GW method: a short summary

International Nuclear Information System (INIS)

Kotani, Takao; Schilfgaarde, Mark van; Faleev, Sergey V; Chantis, Athanasios

2007-01-01

We have developed a quasiparticle self-consistent GW method (QSGW), which is a new self-consistent method to calculate the electronic structure within the GW approximation. The method is formulated based on the idea of a self-consistent perturbation; the non-interacting Green function G 0 , which is the starting point for GWA to obtain G, is determined self-consistently so as to minimize the perturbative correction generated by GWA. After self-consistency is attained, we have G 0 , W (the screened Coulomb interaction) and G self-consistently. This G 0 can be interpreted as the optimum non-interacting propagator for the quasiparticles. We will summarize some theoretical discussions to justify QSGW. Then we will survey results which have been obtained up to now: e.g., band gaps for normal semiconductors are predicted to a precision of 0.1-0.3 eV; the self-consistency including the off-diagonal part is required for NiO and MnO; and so on. There are still some remaining disagreements with experiments; however, they are very systematic, and can be explained from the neglect of excitonic effects

Quasiparticle Lagrangian for the binding energies and self-consistent fields of nuclei in the Fermi-liquid approach

International Nuclear Information System (INIS)

Sapershtein, E.E.; Khodel', V.A.

1981-01-01

The problem of calculating the binding energy and self-consistent field of a nucleus in terms of the effective interaction of quasiparticles at the Fermi surface is solved. It is shown that for this one can go over from the system of N Fermi particles to a system of N interacting quasiparticles described by an effective quasiparticle Lagrangian L/sub q/. It is shown that the corresponding quasiparticle energy is equal to the ground-state energy of the system. The connection between the parameters of the effective Lagrangian and the constants of the quasiparticle interaction introduced in the theory of finite Fermi systems is established

Isospin-dependent properties of asymmetric nuclear matter in relativistic mean field models

Science.gov (United States)

Chen, Lie-Wen; Ko, Che Ming; Li, Bao-An

2007-11-01

Using various relativistic mean-field models, including nonlinear ones with meson field self-interactions, models with density-dependent meson-nucleon couplings, and point-coupling models without meson fields, we have studied the isospin-dependent bulk and single-particle properties of asymmetric nuclear matter. In particular, we have determined the density dependence of nuclear symmetry energy from these different relativistic mean-field models and compared the results with the constraints recently extracted from analyses of experimental data on isospin diffusion and isotopic scaling in intermediate energy heavy-ion collisions as well as from measured isotopic dependence of the giant monopole resonances in even-A Sn isotopes. Among the 23 parameter sets in the relativistic mean-field model that are commonly used for nuclear structure studies, only a few are found to give symmetry energies that are consistent with the empirical constraints. We have also studied the nuclear symmetry potential and the isospin splitting of the nucleon effective mass in isospin asymmetric nuclear matter. We find that both the momentum dependence of the nuclear symmetry potential at fixed baryon density and the isospin splitting of the nucleon effective mass in neutron-rich nuclear matter depend not only on the nuclear interactions but also on the definition of the nucleon optical potential.

Self-organization processes and nanocluster formation in crystal lattices by low-energy ion irradiation

International Nuclear Information System (INIS)

Tereshko, I.; Abidzina, V.; Tereshko, A.; Glushchenko, V.; Elkin, I.

2007-01-01

The goal of this paper is to study self-organization processes that cause nanostructural evolution in nonlinear crystal media. The subjects of the investigation were nonlinear homogeneous and heterogeneous atom chains. The method of computer simulation was used to investigate the interaction between low-energy ions and crystal lattices. It was based on the conception of three-dimensional lattice as a nonlinear atom chain system. We showed that that in homogeneous atom chains critical energy needed for self-organization processes development is less than for nonlinear atom chain with already embedded clusters. The possibility of nanostructure formation was studied by a molecular dynamics method of nonlinear oscillations in atomic oscillator systems of crystal lattices after their low-energy ion irradiation. (authors)

Mean-field description of ultracold bosons on disordered two-dimensional optical lattices

International Nuclear Information System (INIS)

Buonsante, Pierfrancesco; Massel, Francesco; Penna, Vittorio; Vezzani, Alessandro

2007-01-01

In the present communication, we describe the properties induced by disorder on an ultracold gas of bosonic atoms loaded into a two-dimensional optical lattice with global confinement ensured by a parabolic potential. Our analysis is centred on the spatial distribution of the various phases, focusing particularly on the superfluid properties of the system as a function of external parameters and disorder amplitude. In particular, it is shown how disorder can suppress superfluidity, while partially preserving the system coherence. (fast track communication)

Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling

Energy Technology Data Exchange (ETDEWEB)

Pera, H.; Kleijn, J. M.; Leermakers, F. A. M., E-mail: Frans.leermakers@wur.nl [Laboratory of Physical Chemistry and Colloid Science, Wageningen University, Dreijenplein 6, 6307 HB Wageningen (Netherlands)

2014-02-14

To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus k{sub c} and k{sup ¯} and the preferred monolayer curvature J{sub 0}{sup m}, and also delivers structural membrane properties like the core thickness, and head group position and orientation. We studied how these mechanical parameters vary with system variations, such as lipid tail length, membrane composition, and those parameters that control the lipid tail and head group solvent quality. For the membrane composition, negatively charged phosphatidylglycerol (PG) or zwitterionic, phosphatidylcholine (PC), and -ethanolamine (PE) lipids were used. In line with experimental findings, we find that the values of k{sub c} and the area compression modulus k{sub A} are always positive. They respond similarly to parameters that affect the core thickness, but differently to parameters that affect the head group properties. We found that the trends for k{sup ¯} and J{sub 0}{sup m} can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k{sup ¯} and J{sub 0}{sup m} change sign with relevant parameter changes. Although typically k{sup ¯}<0, membranes can form stable cubic phases when the Gaussian bending modulus becomes positive, which occurs with membranes composed of PC lipids with long tails. Similarly, negative monolayer curvatures appear when a small head group such as PE is combined with long lipid tails, which hints towards the stability of inverse hexagonal phases at the cost of the bilayer topology. To prevent the destabilisation of bilayers, PG lipids can be mixed into these PC or PE lipid membranes. Progressive loading of bilayers with PG lipids lead to highly charged membranes, resulting in J{sub 0}{sup m}≫0, especially at low ionic

Tri-critical behavior of the Blume Capel model on a diamond lattice

Energy Technology Data Exchange (ETDEWEB)

Santos, Jander P., E-mail: jander@ufsj.edu.br [Departamento de Ciências Naturais, Universidade Federal de São João del Rei, C.P. 110, CEP 36301-160 São João del Rei, MG (Brazil); Departamento de Matemática, Universidade Federal de São João del Rei, C.P. 110, CEP 36301-160 São João del Rei, MG (Brazil); Sá Barreto, F.C., E-mail: fcsabarreto@gmail.com [Departamento de Ciências Naturais, Universidade Federal de São João del Rei, C.P. 110, CEP 36301-160 São João del Rei, MG (Brazil); Emeritus Professor, Departamento de Física, Universidade Federal de Minas Gerais, C.P. 110, CEP 31270-901 Belo Horizonte, MG (Brazil); Rosa, D.S., E-mail: derick@ift.unesp.br [Instituto de Física Teórica, Universidade Estadual Paulista, C.P. 110, CEP 01140-070 São Paulo, SP (Brazil)

2017-02-01

The mean field approximation results are obtained in a five-site cluster on the diamond lattice from the Bogoliubov inequality. Spin correlation identities for the Blume-Capel model on diamond lattice are derived from a five-site cluster and used to obtain an effective field approximation. The free-energy, magnetization, critical frontiers and tricritical points are obtained from the mean field approximation and the effective field approximation and are compared to those obtained by other methods. From the mean-field approximation, we also studied the unstable and metastable states besides the stable states present in the model. - Highlights: • From the Bogoliubov inequality the mean field approximation is applied. • Correlation identities for the Blume-Capel model on a diamond lattice are obtained. • From the spin correlation identities the effective-field theory is applied. • Lines of phase transitions of first order and continuous are obtained. • Multicritical points are obtained according to this procedure.

A finite element approach to self-consistent field theory calculations of multiblock polymers

Energy Technology Data Exchange (ETDEWEB)

Ackerman, David M. [Department of Mechanical Engineering, Iowa State University, Ames, IA 50011 (United States); Delaney, Kris; Fredrickson, Glenn H. [Materials Research Laboratory, University of California, Santa Barbara (United States); Ganapathysubramanian, Baskar, E-mail: baskarg@iastate.edu [Department of Mechanical Engineering, Iowa State University, Ames, IA 50011 (United States)

2017-02-15

Self-consistent field theory (SCFT) has proven to be a powerful tool for modeling equilibrium microstructures of soft materials, particularly for multiblock polymers. A very successful approach to numerically solving the SCFT set of equations is based on using a spectral approach. While widely successful, this approach has limitations especially in the context of current technologically relevant applications. These limitations include non-trivial approaches for modeling complex geometries, difficulties in extending to non-periodic domains, as well as non-trivial extensions for spatial adaptivity. As a viable alternative to spectral schemes, we develop a finite element formulation of the SCFT paradigm for calculating equilibrium polymer morphologies. We discuss the formulation and address implementation challenges that ensure accuracy and efficiency. We explore higher order chain contour steppers that are efficiently implemented with Richardson Extrapolation. This approach is highly scalable and suitable for systems with arbitrary shapes. We show spatial and temporal convergence and illustrate scaling on up to 2048 cores. Finally, we illustrate confinement effects for selected complex geometries. This has implications for materials design for nanoscale applications where dimensions are such that equilibrium morphologies dramatically differ from the bulk phases.

Self-duality for coupled Potts models on the triangular lattice

International Nuclear Information System (INIS)

Richard, Jean-Francois; Jacobsen, Jesper Lykke; Picco, Marco

2004-01-01

We present self-dual manifolds for coupled Potts models on the triangular lattice. We exploit two different techniques: duality followed by decimation, and mapping to a related loop model. The latter technique is found to be superior, and it allows us to include three-spin couplings. Starting from three coupled models, such couplings are necessary for generating self-dual solutions. A numerical study of the case of two coupled models leads to the identification of novel critical points

A self-consistency check for unitary propagation of Hawking quanta

Science.gov (United States)

Baker, Daniel; Kodwani, Darsh; Pen, Ue-Li; Yang, I.-Sheng

2017-11-01

The black hole information paradox presumes that quantum field theory in curved space-time can provide unitary propagation from a near-horizon mode to an asymptotic Hawking quantum. Instead of invoking conjectural quantum-gravity effects to modify such an assumption, we propose a self-consistency check. We establish an analogy to Feynman’s analysis of a double-slit experiment. Feynman showed that unitary propagation of the interfering particles, namely ignoring the entanglement with the double-slit, becomes an arbitrarily reliable assumption when the screen upon which the interference pattern is projected is infinitely far away. We argue for an analogous self-consistency check for quantum field theory in curved space-time. We apply it to the propagation of Hawking quanta and test whether ignoring the entanglement with the geometry also becomes arbitrarily reliable in the limit of a large black hole. We present curious results to suggest a negative answer, and we discuss how this loss of naive unitarity in QFT might be related to a solution of the paradox based on the soft-hair-memory effect.

Spin-lattice dynamics simulation of external field effect on magnetic order of ferromagnetic iron

Directory of Open Access Journals (Sweden)

C. P. Chui

2014-03-01

Full Text Available Modeling of field-induced magnetization in ferromagnetic materials has been an active topic in the last dozen years, yet a dynamic treatment of distance-dependent exchange integral has been lacking. In view of that, we employ spin-lattice dynamics (SLD simulations to study the external field effect on magnetic order of ferromagnetic iron. Our results show that an external field can increase the inflection point of the temperature. Also the model provides a better description of the effect of spin correlation in response to an external field than the mean-field theory. An external field has a more prominent effect on the long range magnetic order than on the short range counterpart. Furthermore, an external field allows the magnon dispersion curves and the uniform precession modes to exhibit magnetic order variation from their temperature dependence.

The exact solution of self-consistent equations in the scanning near-field optic microscopy problem

DEFF Research Database (Denmark)

Lozovski, Valeri; Bozhevolnyi, Sergey I.

1999-01-01

The macroscopic approach that allows one to obtain an exact solution of the self-consistent equation of the Lippmann-Schwinger type is developed. The main idea of our method consist in usage of diagram technque for exact summation of the infinite series corresponding to the iteration procedure fo...

The Dirac-Kaehler equation and fermions on the lattice

International Nuclear Information System (INIS)

Becher, P.

1982-05-01

The geometrical description of spinor fields by E. Kaehler is used to formulate a consistent lattice approximation of fermions. The relation to free simple Dirac fields as well as to Susskind's description of lattice fermions is clarified. The first steps towards a quantized interacting theory are given. The correspondence between the calculus of differential forms and concepts of algebraic topology is shown to be a useful method for a completely analogous treatment of the problems in the continuum and on the lattice. (orig.)

Current density functional theory in a continuum and lattice Lagrangians: Application to spontaneously broken chiral ground states

International Nuclear Information System (INIS)

Rasolt, M.; Vignale, G.

1992-03-01

We formulate the current-density functional theory for systems in arbitrarily strong magnetic fields. A set of self-consistent equations comparable to the Kohn-Sham equations for ordinary density functional theory is derived, and proved to be gauge-invariant and to satisfy the continuity equation. These equations of Vignale and Rasolt involve the gauge field corresponding to the external magnetic field as well as a new gauge field generated entirely from the many-body interactions. We next extend this gauge theory (following Rasolt and Vignale) to a lattice Lagrangian believed to be appropriate to a tight-binding Hamiltonian in the presence of an external magnetic field. We finally examine the nature of the ground state of a strongly nonuniform electron gas in the presence of this many-body self-induced gauge field

BCS @ 50: derivation of gap equations in different lattice geometries

International Nuclear Information System (INIS)

Saurabh Basu

2007-07-01

We rigorously derive BCS gap equations for a square, triangular and a honeycomb lattice using a two-dimensional t-J model. The gap equations in all the three lattice geometries look usual, with band indices appearing and a minor modification in the separable pair potential for the (two band) honeycomb lattice. In each case, the gap equation is solved (self consistently with the number equation) at low densities assuming singlet pairing. (author)

Odd-even mass differences from self-consistent mean field theory

International Nuclear Information System (INIS)

Bertsch, G. F.; Bertulani, C. A.; Nazarewicz, W.; Schunck, N.; Stoitsov, M. V.

2009-01-01

We survey odd-even nuclear binding energy staggering using density functional theory with several treatments of the pairing interaction including the BCS, Hartree-Fock-Bogoliubov, and the Hartree-Fock-Bogoliubov with the Lipkin-Nogami approximation. We calculate the second difference of binding energies and compare the results with 443 measured neutron energy differences in isotope chains and 418 measured proton energy differences in isotone chains. The particle-hole part of the energy functional is taken as the SLy4 Skyrme parametrization, and the pairing part of the functional is based on a contact interaction with possible density dependence. An important feature of the data, reproduced by the theory, is the sharp gap quenching at magic numbers. With the strength of the interaction as a free parameter, the theory can reproduce the data to an rms accuracy of about 0.25 MeV. This is slightly better than a single-parameter phenomenological description but slightly poorer than the usual two-parameter phenomenological form c/A α . The following conclusions can be made about the performance of common parametrization of the pairing interaction: (i) there is a weak preference for a surface-peaked neutron-neutron pairing, which might be attributable to many-body effects, (ii) a larger strength is required in the proton pairing channel than in the neutron pairing channel, and (iii) pairing strengths adjusted to the well-known spherical isotope chains are too weak to give a good overall fit to the mass differences

Self-consistent areas law in QCD

International Nuclear Information System (INIS)

Makeenko, Yu.M.; Migdal, A.A.

1980-01-01

The problem of obtaining the self-consistent areas law in quantum chromodynamics (QCD) is considered from the point of view of the quark confinement. The exact equation for the loop average in multicolor QCD is reduced to a bootstrap form. Its iterations yield new manifestly gauge invariant perturbation theory in the loop space, reproducing asymptotic freedom. For large loops, the areas law apprears to be a self-consistent solution

Introduction to lattice gauge theories

International Nuclear Information System (INIS)

La Cock, P.

1988-03-01

A general introduction to Lattice Gauge Theory (LGT) is given. The theory is discussed from first principles to facilitate an understanding of the techniques used in LGT. These include lattice formalism, gauge invariance, fermions on the lattice, group theory and integration, strong coupling methods and mean field techniques. A review of quantum chromodynamics on the lattice at finite temperature and density is also given. Monte Carlo results and analytical methods are discussed. An attempt has been made to include most relevant data up to the end of 1987, and to update some earlier reviews existing on the subject. 224 refs., 33 figs., 14 tabs

Neutron-proton scattering at next-to-next-to-leading order in Nuclear Lattice Effective Field Theory

Energy Technology Data Exchange (ETDEWEB)

Alarcon, Jose Manuel [Universitaet Bonn, Helmholtz-Institut fuer Strahlen- und Kernphysik and Bethe Center for Theoretical Physics, Bonn (Germany); Thomas Jefferson National Accelerator Facility, Theory Center, Newport News, VA (United States); Du, Dechuan; Laehde, Timo A.; Li, Ning; Lu, Bing-Nan; Luu, Thomas [Institute for Advanced Simulation, Institut fuer Kernphysik, and Juelich Center for Hadron Physics, Forschungszentrum Juelich, Juelich (Germany); Klein, Nico [Universitaet Bonn, Helmholtz-Institut fuer Strahlen- und Kernphysik and Bethe Center for Theoretical Physics, Bonn (Germany); Lee, Dean [North Carolina State University, Department of Physics, Raleigh, NC (United States); Meissner, Ulf G. [Universitaet Bonn, Helmholtz-Institut fuer Strahlen- und Kernphysik and Bethe Center for Theoretical Physics, Bonn (Germany); Institute for Advanced Simulation, Institut fuer Kernphysik, and Juelich Center for Hadron Physics, Forschungszentrum Juelich, Juelich (Germany); Forschungszentrum Juelich, JARA - High Performance Computing, Juelich (Germany)

2017-05-15

We present a systematic study of neutron-proton scattering in Nuclear Lattice Effective Field Theory (NLEFT), in terms of the computationally efficient radial Hamiltonian method. Our leading-order (LO) interaction consists of smeared, local contact terms and static one-pion exchange. We show results for a fully non-perturbative analysis up to next-to-next-to-leading order (NNLO), followed by a perturbative treatment of contributions beyond LO. The latter analysis anticipates practical Monte Carlo simulations of heavier nuclei. We explore how our results depend on the lattice spacing a, and estimate sources of uncertainty in the determination of the low-energy constants of the next-to-leading-order (NLO) two-nucleon force. We give results for lattice spacings ranging from a = 1.97 fm down to a = 0.98 fm, and discuss the effects of lattice artifacts on the scattering observables. At a = 0.98 fm, lattice artifacts appear small, and our NNLO results agree well with the Nijmegen partial-wave analysis for S-wave and P-wave channels. We expect the peripheral partial waves to be equally well described once the lattice momenta in the pion-nucleon coupling are taken to coincide with the continuum dispersion relation, and higher-order (N3LO) contributions are included. We stress that for center-of-mass momenta below 100 MeV, the physics of the two-nucleon system is independent of the lattice spacing. (orig.)

Nondeterministic self-assembly of two tile types on a lattice.

Science.gov (United States)

Tesoro, S; Ahnert, S E

2016-04-01

Self-assembly is ubiquitous in nature, particularly in biology, where it underlies the formation of protein quaternary structure and protein aggregation. Quaternary structure assembles deterministically and performs a wide range of important functions in the cell, whereas protein aggregation is the hallmark of a number of diseases and represents a nondeterministic self-assembly process. Here we build on previous work on a lattice model of deterministic self-assembly to investigate nondeterministic self-assembly of single lattice tiles and mixtures of two tiles at varying relative concentrations. Despite limiting the simplicity of the model to two interface types, which results in 13 topologically distinct single tiles and 106 topologically distinct sets of two tiles, we observe a wide variety of concentration-dependent behaviors. Several two-tile sets display critical behaviors in the form of a sharp transition from bound to unbound structures as the relative concentration of one tile to another increases. Other sets exhibit gradual monotonic changes in structural density, or nonmonotonic changes, while again others show no concentration dependence at all. We catalog this extensive range of behaviors and present a model that provides a reasonably good estimate of the critical concentrations for a subset of the critical transitions. In addition, we show that the structures resulting from these tile sets are fractal, with one of two different fractal dimensions.

Self-organized lattice of ordered quantum dot molecules

International Nuclear Information System (INIS)

Lippen, T. von; Noetzel, R.; Hamhuis, G.J.; Wolter, J.H.

2004-01-01

Ordered groups of InAs quantum dots (QDs), lateral QD molecules, are created by self-organized anisotropic strain engineering of a (In,Ga)As/GaAs superlattice (SL) template on GaAs (311)B in molecular-beam epitaxy. During stacking, the SL template self-organizes into a two-dimensionally ordered strain modulated network on a mesoscopic length scale. InAs QDs preferentially grow on top of the nodes of the network due to local strain recognition. The QDs form a lattice of separated groups of closely spaced ordered QDs whose number can be controlled by the GaAs separation layer thickness on top of the SL template. The QD groups exhibit excellent optical properties up to room temperature

SOCIAL COMPARISON, SELF-CONSISTENCY AND THE PRESENTATION OF SELF.

Science.gov (United States)

MORSE, STANLEY J.; GERGEN, KENNETH J.

TO DISCOVER HOW A PERSON'S (P) SELF-CONCEPT IS AFFECTED BY THE CHARACTERISTICS OF ANOTHER (O) WHO SUDDENLY APPEARS IN THE SAME SOCIAL ENVIRONMENT, SEVERAL QUESTIONNAIRES, INCLUDING THE GERGEN-MORSE (1967) SELF-CONSISTENCY SCALE AND HALF THE COOPERSMITH SELF-ESTEEM INVENTORY, WERE ADMINISTERED TO 78 UNDERGRADUATE MEN WHO HAD ANSWERED AN AD FOR WORK…

Mean-field approach to unconventional superconductivity

International Nuclear Information System (INIS)

Sacks, William; Mauger, Alain; Noat, Yves

2014-01-01

Highlights: • A model Hamiltonian for unconventional superconductivity (SC) is proposed. • The pseudogap (PG) state is described in terms of pair fluctuations. • SC coherence is restored by a new pair–pair interaction, which counteracts fluctuations. • Given the temperature dependence of the parameters, the SC to PG transition is examined. • The theory fits the ‘peak–dip–hump’ features of cuprate and pnictide excitation spectra. - Abstract: We propose a model that connects the quasiparticle spectral function of high-T c superconductors to the condensation energy. Given the evidence for pair correlations above T c , we consider a coarse-grain Hamiltonian of fluctuating pairs describing the incoherent pseudogap (PG) state, together with a novel pair–pair interaction term that restores long-range superconducting (SC) coherence below T c . A mean-field solution then leads to a self-consistent gap equation containing the new pair–pair coupling. The corresponding spectral function A(k,E) reveals the characteristic peak–dip–hump features of cuprates, now observed on iron pnictides (LiFeAs). The continuous transition from SC to PG states is discussed

Superconducting and other phases in organic high polymers of polyacenic carbon skeletons. II. The mean field method

International Nuclear Information System (INIS)

Kimura, M.; Kawabe, H.; Nishikawa, K.; Aono, S.

1986-01-01

Ordered phases such as CDW, SDW, and the singlet superconductivity(SSC) are predicted by means of a mean field theory. The electronic Hamiltonian is linearized by introducing order parameters which are expected to arise, and these order parameters are determined self-consistently. The behaviors of gap, transition temperature, and condensation energy are greatly different from those of BCS theory. The coexistence of the various phases is discussed. Aside from a very special case the single phase is most stable

Phase transitions and spin excitations of spin-1 bosons in optical lattice

Science.gov (United States)

Zhu, Min-Jie; Zhao, Bo

2018-03-01

For spin-1 bosonic system trapped in optical lattice, we investigate two main problems, including MI-SF phase transition and magnetic phase separations in MI phase, with extended standard basis operator (SBO) method. For both ferromagnetic (U2 0) systems, we analytically figure out the symmetry properties in Mott-insulator and superfluid phases, which would provide a deeper insight into the MI-SF phase transition process. Then by applying self-consistent approach to the method, we include the effect of quantum and thermal fluctuations and derive the MI-SF transition phase diagram, which is in quantitative agreement with recent Monte-Carlo simulation at zero temperature, and at finite temperature, we find the underestimation of finite-temperature-effect in the mean-field approximation method. If we further consider the spin excitations in the insulating states of spin-1 system in external field, distinct spin phases are expected. Therefore, in the Mott lobes with n = 1 and n = 2 atoms per site, we give analytical and numerical boundaries of the singlet, nematic, partially magnetic and ferromagnetic phases in the magnetic phase diagrams.

Exploring the relationship between the magnetic frustration and the emergence of FFLO state on a triangular lattice

International Nuclear Information System (INIS)

Guo Jia; Jiang Hongmin; Li Jianxin

2011-01-01

The formation of the FFLO state on the anisotropic triangular lattices is investigated. Focus on the required lower critical magnetic field to enter the FFLO state. Magnetic frustration facilitates the formation of the FFLO state. Layered organic superconductors are good candidates for exploring the FFLO state. The Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) unconventional superconductors attract renewed interest in recent years. However, an unambiguous experimental demonstration of the FFLO state is hindered by the stringent requirements for its realization. In this paper, we explore the relationship between the magnetic frustration and the emergence of the FFLO state on an anisotropic triangular lattice, based on the self-consistent calculation of the Bogoliubov-de Gennes equations. We find that the required lower critical magnetic field to enter the FFLO state decreases with the increase of both the anisotropic ratio and the on-site Coulomb repulsive interaction. This demonstrates that it is easier to enter the FFLO state on the structurally frustrated triangular lattice in comparison with the square lattice, and suggests that the layered organic superconductors with a triangular lattice may be good candidates for exploring the FFLO state.

Integrable motion of curves in self-consistent potentials: Relation to spin systems and soliton equations

Energy Technology Data Exchange (ETDEWEB)

Myrzakulov, R.; Mamyrbekova, G.K.; Nugmanova, G.N.; Yesmakhanova, K.R. [Eurasian International Center for Theoretical Physics and Department of General and Theoretical Physics, Eurasian National University, Astana 010008 (Kazakhstan); Lakshmanan, M., E-mail: lakshman@cnld.bdu.ac.in [Centre for Nonlinear Dynamics, School of Physics, Bharathidasan University, Tiruchirapalli 620 024 (India)

2014-06-13

Motion of curves and surfaces in R{sup 3} lead to nonlinear evolution equations which are often integrable. They are also intimately connected to the dynamics of spin chains in the continuum limit and integrable soliton systems through geometric and gauge symmetric connections/equivalence. Here we point out the fact that a more general situation in which the curves evolve in the presence of additional self-consistent vector potentials can lead to interesting generalized spin systems with self-consistent potentials or soliton equations with self-consistent potentials. We obtain the general form of the evolution equations of underlying curves and report specific examples of generalized spin chains and soliton equations. These include principal chiral model and various Myrzakulov spin equations in (1+1) dimensions and their geometrically equivalent generalized nonlinear Schrödinger (NLS) family of equations, including Hirota–Maxwell–Bloch equations, all in the presence of self-consistent potential fields. The associated gauge equivalent Lax pairs are also presented to confirm their integrability. - Highlights: • Geometry of continuum spin chain with self-consistent potentials explored. • Mapping on moving space curves in R{sup 3} in the presence of potential fields carried out. • Equivalent generalized nonlinear Schrödinger (NLS) family of equations identified. • Integrability of identified nonlinear systems proved by deducing appropriate Lax pairs.

Lattice field theories: non-perturbative methods of analysis

International Nuclear Information System (INIS)

Weinstein, M.

1978-01-01

A lecture is given on the possible extraction of interesting physical information from quantum field theories by studying their semiclassical versions. From the beginning the problem of solving for the spectrum states of any given continuum quantum field theory is considered as a giant Schroedinger problem, and then some nonperturbative methods for diagonalizing the Hamiltonian of the theory are explained without recourse to semiclassical approximations. The notion of a lattice appears as an artifice to handle the problems associated with the familiar infrared and ultraviolet divergences of continuum quantum field theory and in fact for all but gauge theories. 18 references

Bicontinuous Phases in Diblock Copolymer/Homopolymer Blends: Simulation and Self-Consistent Field Theory

KAUST Repository

Martínez-Veracoechea, Francisco J.

2009-03-10

A combination of particle-based simulations and self-consistent field theory (SCFT) is used to study the stabilization of multiple ordered bicontinuous phases in blends of a diblock copolymer (DBC) and a homopolymer. The double-diamond phase (DD) and plumber\\'s nightmare phase (P) were spontaneously formed in the range of homopolymer volume fraction simulated via coarse-grained molecular dynamics. To the best of our knowledge, this is the first time that such phases have been obtained in continuum-space molecular simulations of DBC systems. Though tentative phase boundaries were delineated via free-energy calculations, macrophase separation could not be satisfactorily assessed within the framework of particle-based simulations. Therefore, SCFT was used to explore the DBC/homopolymer phase diagram in more detail, showing that although in many cases two-phase coexistence of a DBC-rich phase and a homopolymer-rich phase does precede the stability of complex bicontinuous phases the DD phase can be stable in a relatively wide region of the phase diagram. Whereas the P phase was always metastable with respect to macrophase separation under the thermodynamic conditions explored with SCFT, it was sometimes nearly stable, suggesting that full stability could be achieved in other unexplored regions of parameter space. Moreover, even the predicted DD- and P-phase metastability regions were located significantly far from the spinodal line, suggesting that these phases could be observed in experiments as "long-lived" metastable phases under those conditions. This conjecture is also consistent with large-system molecular dynamics simulations that showed that the time scale of mesophase formation is much faster than that of macrophase separation. © 2009 American Chemical Society.

Multiconfiguration time-dependent self-consistent field approximations in the numerical solution of quantum dynamical problems

International Nuclear Information System (INIS)

Kotler, Z.; Neria, E.; Nitzan, A.

1991-01-01

The use of the time-dependent self-consistent field approximation (TDSCF) in the numerical solution of quantum curve crossing and tunneling dynamical problems is investigated. Particular emphasis is given to multiconfiguration TDSCF (MCTDSCF) approximations, which are shown to perform considerably better with only a small increase in computational effort. We investigate a number of simple models in which a 'system' characterized by two electronic potential surfaces evolves while interacting with a 'bath' mode described by an harmonic oscillator, and compare exact numerical solutions to one- and two-configuration TDSCF approximations. We also introduce and investigate a semiclassical approximation in which the 'bath' mode is described by semiclassical wavepackets (one for each electronic state) and show that for all models investigated this scheme works very well in comparison with the fully quantum MCTDSCF approximation. This provides a potentially very useful method to simulate strongly quantum systems coupled to an essentially classical environment. (orig.)

A self-consistent field study of diblock copolymer/charged particle system morphologies for nanofiltration membranes

International Nuclear Information System (INIS)

Zhang, Bo; Ye, Xianggui; Edwards, Brian J.

2013-01-01

A combination of self-consistent field theory and density functional theory was used to examine the stable, 3-dimensional equilibrium morphologies formed by diblock copolymers with a tethered nanoparticle attached either between the two blocks or at the end of one of the blocks. Both neutral and interacting particles were examined, with and without favorable/unfavorable energetic potentials between the particles and the block segments. The phase diagrams of the various systems were constructed, allowing the identification of three types of ordered mesophases composed of lamellae, hexagonally packed cylinders, and spheroids. In particular, we examined the conditions under which the mesophases could be generated wherein the tethered particles were primarily located within the interface between the two blocks of the copolymer. Key factors influencing these properties were determined to be the particle position along the diblock chain, the interaction potentials of the blocks and particles, the block copolymer composition, and molecular weight of the copolymer

Multiconfiguration time-dependent self-consistent field approximations in the numerical solution of quantum dynamical problems

Energy Technology Data Exchange (ETDEWEB)

Kotler, Z.; Neria, E.; Nitzan, A. (Tel Aviv Univ. (Israel). School of Chemistry)

1991-02-01

The use of the time-dependent self-consistent field approximation (TDSCF) in the numerical solution of quantum curve crossing and tunneling dynamical problems is investigated. Particular emphasis is given to multiconfiguration TDSCF (MCTDSCF) approximations, which are shown to perform considerably better with only a small increase in computational effort. We investigate a number of simple models in which a 'system' characterized by two electronic potential surfaces evolves while interacting with a 'bath' mode described by an harmonic oscillator, and compare exact numerical solutions to one- and two-configuration TDSCF approximations. We also introduce and investigate a semiclassical approximation in which the 'bath' mode is described by semiclassical wavepackets (one for each electronic state) and show that for all models investigated this scheme works very well in comparison with the fully quantum MCTDSCF approximation. This provides a potentially very useful method to simulate strongly quantum systems coupled to an essentially classical environment. (orig.).

Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn--Sham Density Functional Theory

Energy Technology Data Exchange (ETDEWEB)

Lin, Lin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division; Yang, Chao [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division

2013-10-28

We discuss techniques for accelerating the self consistent field (SCF) iteration for solving the Kohn-Sham equations. These techniques are all based on constructing approximations to the inverse of the Jacobian associated with a fixed point map satisfied by the total potential. They can be viewed as preconditioners for a fixed point iteration. We point out different requirements for constructing preconditioners for insulating and metallic systems respectively, and discuss how to construct preconditioners to keep the convergence rate of the fixed point iteration independent of the size of the atomistic system. We propose a new preconditioner that can treat insulating and metallic system in a unified way. The new preconditioner, which we call an elliptic preconditioner, is constructed by solving an elliptic partial differential equation. The elliptic preconditioner is shown to be more effective in accelerating the convergence of a fixed point iteration than the existing approaches for large inhomogeneous systems at low temperature.

Mean field theory for a balanced hypercolumn model of orientation selectivity in primary visual cortex

CERN Document Server

Lerchner, A; Hertz, J; Ahmadi, M

2004-01-01

We present a complete mean field theory for a balanced state of a simple model of an orientation hypercolumn. The theory is complemented by a description of a numerical procedure for solving the mean-field equations quantitatively. With our treatment, we can determine self-consistently both the firing rates and the firing correlations, without being restricted to specific neuron models. Here, we solve the analytically derived mean-field equations numerically for integrate-and-fire neurons. Several known key properties of orientation selective cortical neurons emerge naturally from the description: Irregular firing with statistics close to -- but not restricted to -- Poisson statistics; an almost linear gain function (firing frequency as a function of stimulus contrast) of the neurons within the network; and a contrast-invariant tuning width of the neuronal firing. We find that the irregularity in firing depends sensitively on synaptic strengths. If Fano factors are bigger than 1, then they are so for all stim...

Field strength correlators in QCD: new fits to the lattice data

International Nuclear Information System (INIS)

Meggiolaro, E.

1999-01-01

We discuss the results obtained by fitting the lattice data of the gauge-invariant field strength correlators in QCD with some particular functions which are commonly used in the literature in some phenomenological approaches to high-energy hadron-hadron scattering. A comparison is done with the results obtained in the original fits to the lattice data. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

Lattice Boltzmann simulations of sound directivity of a cylindrical pipe with mean flow

International Nuclear Information System (INIS)

Shi, Yong; Scavone, Gary P; Silva, Andrey R da

2013-01-01

This paper proposes a numerical scheme based on the lattice Boltzmann method to tackle the classical problem of sound radiation directivity of pipes issuing subsonic mean flows. The investigation is focused on normal mode radiation, which allows the use of a two-dimensional lattice with an axisymmetric condition at the pipe’s longitudinal axis. The numerical results are initially verified against an exact analytical solution for the sound radiation directivity of an unflanged pipe in the absence of a mean flow, which shows a very good agreement. Thereafter, the sound directivity results in the presence of a subsonic mean flow are compared with both analytical models and experimental data. The results are in good agreement, particularly for low values of the Helmholtz number ka. Moreover, the phenomenon known as ‘zone of relative silence’ was observed, even for mean flows associated with very low Mach numbers, though discrepancies were also observed in the comparison between the numerical results and the analytical predictions. A thorough discussion on the scheme implementation and numerical results is provided in the paper. (paper)

The Toda lattice hierarchy and deformation of conformal field theories

International Nuclear Information System (INIS)

Fukuma, M.

1990-01-01

In this paper, the authors point out that the Toda lattice hierarchy known in soliton theory is relevant for the description of the deformations of conformal field theories while the KP hierarchy describes unperturbed conformal theories. It is shown that the holomorphic parts of the conserved currents in the perturbed system (the Toda lattice hierarchy) coincide with the conserved currents in the KP hierarchy and can be written in terms of the W-algebraic currents. Furthermore, their anti-holomorphic counterparts are obtained

Self-Consistent Study of Conjugated Aromatic Molecular Transistors

International Nuclear Information System (INIS)

Jing, Wang; Yun-Ye, Liang; Hao, Chen; Peng, Wang; Note, R.; Mizuseki, H.; Kawazoe, Y.

2010-01-01

We study the current through conjugated aromatic molecular transistors modulated by a transverse field. The self-consistent calculation is realized with density function theory through the standard quantum chemistry software Gaussian03 and the non-equilibrium Green's function formalism. The calculated I – V curves controlled by the transverse field present the characteristics of different organic molecular transistors, the transverse field effect of which is improved by the substitutions of nitrogen atoms or fluorine atoms. On the other hand, the asymmetry of molecular configurations to the axis connecting two sulfur atoms is in favor of realizing the transverse field modulation. Suitably designed conjugated aromatic molecular transistors possess different I – V characteristics, some of them are similar to those of metal-oxide-semiconductor field-effect transistors (MOSFET). Some of the calculated molecular devices may work as elements in graphene electronics. Our results present the richness and flexibility of molecular transistors, which describe the colorful prospect of next generation devices. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Differentiability and continuity of quantum fields on a lattice

International Nuclear Information System (INIS)

deLyra, J.L.; Foong, S.K.; Gallivan, T.E.

1991-01-01

The differentiability and continuity properties of quantized bosonic fields on a lattice are examined. It is shown for free fields that, in the continuum limit, the dominant configurations in the functional integral become discontinuous when the spacetime dimension is greater than 1. It is argued that the same is true for interacting fields. This is unlike the one-dimensional case of quantum mechanics, in which the dominant configurations are continuous but not differentiable. As a consequence of this discontinuity, classically equivalent actions may produce inequivalent quantum field theories upon functional-integral quantization

The influence of thermodynamic self-consistency on the phase behaviour of symmetric binary mixtures

CERN Document Server

Scholl-Paschinger, E; Kahl, G

2004-01-01

We have investigated the phase behaviour of a symmetric binary mixture with particles interacting via hard-core Yukawa potentials. To calculate the thermodynamic properties we have used the mean spherical approximation (MSA), a conventional liquid state theory, and the closely related self-consistent Ornstein-Zernike approximation which is defined via an MSA-type closure relation, requiring, in addition, thermodynamic self-consistency between the compressibility and the energy-route. We investigate on a quantitative level the effect of the self-consistency requirement on the phase diagram and on the critical behaviour and confirm the existence of three archetypes of phase diagram, which originate from the competition between the first order liquid/vapour transition and the second order demixing transition.

The self-consistent calculation of the edge states in bilayer quantum Hall bar

International Nuclear Information System (INIS)

Kavruk, A E; Orzturk, T; Orzturk, A; Atav, U; Yuksel, H

2011-01-01

In this study, we present the spatial distributions of the edge channels for each layer in bilayer quantum Hall bar geometry for a wide range of applied magnetic fields. For this purpose, we employ a self-consistent Thomas-Fermi-Poisson approach to obtain the electron density distributions and related screened potential distributions. In order to have a more realistic description of the system we solve three dimensional Poisson equation numerically in each iteration step to obtain self consistency in the Thomas-Fermi-Poisson approach instead of employing a 'frozen gate' approximation.

Three-wave electron vortex lattices for measuring nanofields.

Science.gov (United States)

Dwyer, C; Boothroyd, C B; Chang, S L Y; Dunin-Borkowski, R E

2015-01-01

It is demonstrated how an electron-optical arrangement consisting of two electron biprisms can be used to generate three-wave vortex lattices with effective lattice spacings between 0.1 and 1 nm. The presence of vortices in these lattices was verified by using a third biprism to perform direct phase measurements via off-axis electron holography. The use of three-wave lattices for nanoscale electromagnetic field measurements via vortex interferometry is discussed, including the accuracy of vortex position measurements and the interpretation of three-wave vortex lattices in the presence of partial spatial coherence. Copyright © 2014 Elsevier B.V. All rights reserved.

Z flux-line lattices and self-dual equations in the standard model

International Nuclear Information System (INIS)

Bimonte, G.; Lozano, G.

1994-04-01

We derive gauge covariant self-dual equations for the SU(2) x U(1) y theory of electroweak interactions and show that they admit solutions describing a periodic lattice of Z-strings. (author). 14 refs

Canonical simulations with worldlines: An exploratory study in ϕ24 lattice field theory

Science.gov (United States)

Orasch, Oliver; Gattringer, Christof

2018-01-01

In this paper, we explore the perspectives for canonical simulations in the worldline formulation of a lattice field theory. Using the charged ϕ4 field in two dimensions as an example, we present the details of the canonical formulation based on worldlines and outline the algorithmic strategies for canonical worldline simulations. We discuss the steps for converting the data from the canonical approach to the grand canonical picture which we use for cross-checking our results. The canonical approach presented here can easily be generalized to other lattice field theories with a worldline representation.

Fluctuating local field method probed for a description of small classical correlated lattices

Science.gov (United States)

Rubtsov, Alexey N.

2018-05-01

Thermal-equilibrated finite classical lattices are considered as a minimal model of the systems showing an interplay between low-energy collective fluctuations and single-site degrees of freedom. Standard local field approach, as well as classical limit of the bosonic DMFT method, do not provide a satisfactory description of Ising and Heisenberg small lattices subjected to an external polarizing field. We show that a dramatic improvement can be achieved within a simple approach, in which the local field appears to be a fluctuating quantity related to the low-energy degree(s) of freedom.

Thermodynamics of lattice QCD with 2 sextet quarks on Nt=8 lattices

International Nuclear Information System (INIS)

Kogut, J. B.; Sinclair, D. K.

2011-01-01

We continue our lattice simulations of QCD with 2 flavors of color-sextet quarks as a model for conformal or walking technicolor. A 2-loop perturbative calculation of the β function which describes the evolution of this theory's running coupling constant predicts that it has a second zero at a finite coupling. This nontrivial zero would be an infrared stable fixed point, in which case the theory with massless quarks would be a conformal field theory. However, if the interaction between quarks and antiquarks becomes strong enough that a chiral condensate forms before this IR fixed point is reached, the theory is QCD-like with spontaneously broken chiral symmetry and confinement. However, the presence of the nearby IR fixed point means that there is a range of couplings for which the running coupling evolves very slowly, i.e. it ''walks.'' We are simulating the lattice version of this theory with staggered quarks at finite temperature, studying the changes in couplings at the deconfinement and chiral-symmetry restoring transitions as the temporal extent (N t ) of the lattice, measured in lattice units, is increased. Our earlier results on lattices with N t =4, 6 show both transitions move to weaker couplings as N t increases consistent with walking behavior. In this paper we extend these calculations to N t =8. Although both transitions again move to weaker couplings, the change in the coupling at the chiral transition from N t =6 to N t =8 is appreciably smaller than that from N t =4 to N t =6. This indicates that at N t =4, 6 we are seeing strong-coupling effects and that we will need results from N t >8 to determine if the chiral-transition coupling approaches zero as N t →∞, as needed for the theory to walk.

Hubbard-U corrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations

DEFF Research Database (Denmark)

Patrick, Christopher; Thygesen, Kristian Sommer

2016-01-01

In non-self-consistent calculations of the total energy within the random-phase approximation (RPA) for electronic correlation, it is necessary to choose a single-particle Hamiltonian whose solutions are used to construct the electronic density and noninteracting response function. Here we...... investigate the effect of including a Hubbard-U term in this single-particle Hamiltonian, to better describe the on-site correlation of 3d electrons in the transitionmetal compounds ZnS, TiO2, and NiO.We find that the RPA lattice constants are essentially independent of U, despite large changes...... in the underlying electronic structure. We further demonstrate that the non-selfconsistent RPA total energies of these materials have minima at nonzero U. Our RPA calculations find the rutile phase of TiO2 to be more stable than anatase independent of U, a result which is consistent with experiments...

Determination of D2O - 2% enriched uranium lattice parameters by means of a critical system

International Nuclear Information System (INIS)

Raisic, N.; Takac, S.; Markovic, H.; Bosevski, T.

1963-01-01

In order to specify experimental procedures for few standard measurements sufficient to provide consistent set of lattice parameters, a series of experiments were performed at the RB reactor using 2% enriched tubular fuel elements. Obtained results were compared to standard two-group diffusion calculation indicating high degree of accuracy for a broad variety of reactor lattice configurations

Spectroscopy of heavy nuclei by configuration mixing of symmetry restored mean-field states: shape coexistence in neutron-deficient Pb isotopes

International Nuclear Information System (INIS)

Bender, M.; Heenen, P.H.; Bonche, P.; Duguet, T.

2003-01-01

We study shape coexistence and low-energy excitation spectra in neutron-deficient Pb isotopes using configuration mixing of angular-momentum and particle-number projected self-consistent mean-field states. The same Skyrme interaction SLy6 is used everywhere in connection with a density-dependent zero-range pairing force. (orig.)

Stable oscillations of a predator-prey probabilistic cellular automaton: a mean-field approach

International Nuclear Information System (INIS)

Tome, Tania; Carvalho, Kelly C de

2007-01-01

We analyze a probabilistic cellular automaton describing the dynamics of coexistence of a predator-prey system. The individuals of each species are localized over the sites of a lattice and the local stochastic updating rules are inspired by the processes of the Lotka-Volterra model. Two levels of mean-field approximations are set up. The simple approximation is equivalent to an extended patch model, a simple metapopulation model with patches colonized by prey, patches colonized by predators and empty patches. This approximation is capable of describing the limited available space for species occupancy. The pair approximation is moreover able to describe two types of coexistence of prey and predators: one where population densities are constant in time and another displaying self-sustained time oscillations of the population densities. The oscillations are associated with limit cycles and arise through a Hopf bifurcation. They are stable against changes in the initial conditions and, in this sense, they differ from the Lotka-Volterra cycles which depend on initial conditions. In this respect, the present model is biologically more realistic than the Lotka-Volterra model

Statistical mechanics of lattice Boson field theory

International Nuclear Information System (INIS)

1976-01-01

A lattice approximation to Euclidean, boson quantum field theory is expressed in terms of the thermodynamic properties of a classical statistical mechanical system near its critical point in a sufficiently general way to permit the inclusion of an anomalous dimension of the vacuum. Using the thermodynamic properties of the Ising model, one can begin to construct nontrivial (containing scattering) field theories in 2, 3 and 4 dimensions. It is argued that, depending on the choice of the bare coupling constant, there are three types of behavior to be expected: the perturbation theory region, the renormalization group fixed point region, and the Ising model region

Statistical mechanics of lattice boson field theory

International Nuclear Information System (INIS)

Baker, G.A. Jr.

1977-01-01

A lattice approximation to Euclidean, boson quantum field theory is expressed in terms of the thermodynamic properties of a classical statistical mechanical system near its critical point in a sufficiently general way to permit the inclusion of an anomalous dimension of the vacuum. Using the thermodynamic properties of the Ising model, one can begin to construct nontrivial (containing scattering) field theories in 2, 3, and 4 dimensions. It is argued that, depending on the choice of the bare coupling constant, there are three types of behavior to be expected: the perturbation theory region, the renormalization group fixed point region, and the Ising model region. 24 references

Color fields of the static pentaquark system computed in SU(3) lattice QCD

Science.gov (United States)

Cardoso, Nuno; Bicudo, Pedro

2013-02-01

We compute the color fields of SU(3) lattice QCD created by static pentaquark systems, in a 243×48 lattice at β=6.2 corresponding to a lattice spacing a=0.07261(85)fm. We find that the pentaquark color fields are well described by a multi-Y-type shaped flux tube. The flux tube junction points are compatible with Fermat-Steiner points minimizing the total flux tube length. We also compare the pentaquark flux tube profile with the diquark-diantiquark central flux tube profile in the tetraquark and the quark-antiquark fundamental flux tube profile in the meson, and they match, thus showing that the pentaquark flux tubes are composed of fundamental flux tubes.

Color fields computed in SU(3) lattice QCD for the static tetraquark system

International Nuclear Information System (INIS)

Cardoso, Nuno; Cardoso, Marco; Bicudo, Pedro

2011-01-01

The color fields created by the static tetraquark system are computed in quenched SU(3) lattice QCD, in a 24 3 x48 lattice at β=6.2 corresponding to a lattice spacing a=0.07261(85) fm. We find that the tetraquark color fields are well described by a double-Y, or butterfly, shaped flux tube. The two flux-tube junction points are compatible with Fermat points minimizing the total flux-tube length. We also compare the diquark-diantiquark central flux-tube profile in the tetraquark with the quark-antiquark fundamental flux-tube profile in the meson, and they match, thus showing that the tetraquark flux tubes are composed of fundamental flux tubes.

Predicting Chiral Nanostructures, Lattices and Superlattices in Complex Multicomponent Nanoparticle Self-Assembly

KAUST Repository

Hur, Kahyun

2012-06-13

"Bottom up" type nanoparticle (NP) self-assembly is expected to provide facile routes to nanostructured materials for various, for example, energy related, applications. Despite progress in simulations and theories, structure prediction of self-assembled materials beyond simple model systems remains challenging. Here we utilize a field theory approach for predicting nanostructure of complex and multicomponent hybrid systems with multiple types of short- and long-range interactions. We propose design criteria for controlling a range of NP based nanomaterial structures. In good agreement with recent experiments, the theory predicts that ABC triblock terpolymer directed assemblies with ligand-stabilized NPs can lead to chiral NP network structures. Furthermore, we predict that long-range Coulomb interactions between NPs leading to simple NP lattices, when applied to NP/block copolymer (BCP) assemblies, induce NP superlattice formation within the phase separated BCP nanostructure, a strategy not yet realized experimentally. We expect such superlattices to be of increasing interest to communities involved in research on, for example, energy generation and storage, metamaterials, as well as microelectronics and information storage. © 2012 American Chemical Society.

An effective correlated mean-field theory applied in the spin-1/2 Ising ferromagnetic model

Energy Technology Data Exchange (ETDEWEB)

Roberto Viana, J.; Salmon, Octávio R. [Universidade Federal do Amazonas – UFAM, Manaus 69077-000, AM (Brazil); Ricardo de Sousa, J. [Universidade Federal do Amazonas – UFAM, Manaus 69077-000, AM (Brazil); National Institute of Science and Technology for Complex Systems, Universidade Federal do Amazonas, 3000, Japiim, 69077-000 Manaus, AM (Brazil); Neto, Minos A.; Padilha, Igor T. [Universidade Federal do Amazonas – UFAM, Manaus 69077-000, AM (Brazil)

2014-11-15

We developed a new treatment for mean-field theory applied in spins systems, denominated effective correlated mean-field (ECMF). We apply this theory to study the spin-1/2 Ising ferromagnetic model with nearest-neighbor interactions on a square lattice. We use clusters of finite sizes and study the criticality of the ferromagnetic system, where we obtain a convergence of critical temperature for the value k{sub B}T{sub c}/J≃2.27905±0.00141. Also the behavior of magnetic and thermodynamic properties, using the condition of minimum energy of the physical system is obtained. - Highlights: • We developed spin models to study real magnetic systems. • We study the thermodynamic and magnetic properties of the ferromagnetism. • We enhanced a mean-field theory applied in spins models.

Secondary electron emission and self-consistent charge transport in semi-insulating samples

Energy Technology Data Exchange (ETDEWEB)

Fitting, H.-J. [Institute of Physics, University of Rostock, Universitaetsplatz 3, D-18051 Rostock (Germany); Touzin, M. [Unite Materiaux et Transformations, UMR CNRS 8207, Universite de Lille 1, F-59655 Villeneuve d' Ascq (France)

2011-08-15

Electron beam induced self-consistent charge transport and secondary electron emission (SEE) in insulators are described by means of an electron-hole flight-drift model (FDM) now extended by a certain intrinsic conductivity (c) and are implemented by an iterative computer simulation. Ballistic secondary electrons (SE) and holes, their attenuation to drifting charge carriers, and their recombination, trapping, and field- and temperature-dependent detrapping are included. As a main result the time dependent ''true'' secondary electron emission rate {delta}(t) released from the target material and based on ballistic electrons and the spatial distributions of currents j(x,t), charges {rho}(x,t), field F(x,t), and potential V(x,t) are obtained where V{sub 0} = V(0,t) presents the surface potential. The intrinsic electronic conductivity limits the charging process and leads to a conduction sample current to the support. In that case the steady-state total SE yield will be fixed below the unit: i.e., {sigma} {eta} + {delta} < 1.

A first look at Quasi-Monte Carlo for lattice field theory problems

International Nuclear Information System (INIS)

Jansen, K.; Leovey, H.; Griewank, A.; Nube, A.; Humboldt-Universitaet, Berlin; Mueller-Preussker, M.

2012-11-01

In this project we initiate an investigation of the applicability of Quasi-Monte Carlo methods to lattice field theories in order to improve the asymptotic error behavior of observables for such theories. In most cases the error of an observable calculated by averaging over random observations generated from an ordinary Monte Carlo simulation behaves like N -1/2 , where N is the number of observations. By means of Quasi-Monte Carlo methods it is possible to improve this behavior for certain problems to up to N -1 . We adapted and applied this approach to simple systems like the quantum harmonic and anharmonic oscillator and verified an improved error scaling.

A first look at quasi-Monte Carlo for lattice field theory problems

International Nuclear Information System (INIS)

Jansen, K; Nube, A; Leovey, H; Griewank, A; Mueller-Preussker, M

2013-01-01

In this project we initiate an investigation of the applicability of Quasi-Monte Carlo methods to lattice field theories in order to improve the asymptotic error behavior of observables for such theories. In most cases the error of an observable calculated by averaging over random observations generated from an ordinary Monte Carlo simulation behaves like N −1/2 , where N is the number of observations. By means of Quasi-Monte Carlo methods it is possible to improve this behavior for certain problems to up to N −1 . We adapted and applied this approach to simple systems like the quantum harmonic and anharmonic oscillator and verified an improved error scaling

A first look at Quasi-Monte Carlo for lattice field theory problems

Energy Technology Data Exchange (ETDEWEB)

Jansen, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Leovey, H.; Griewank, A. [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Mathematik; Nube, A. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Mueller-Preussker, M. [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik

2012-11-15

In this project we initiate an investigation of the applicability of Quasi-Monte Carlo methods to lattice field theories in order to improve the asymptotic error behavior of observables for such theories. In most cases the error of an observable calculated by averaging over random observations generated from an ordinary Monte Carlo simulation behaves like N{sup -1/2}, where N is the number of observations. By means of Quasi-Monte Carlo methods it is possible to improve this behavior for certain problems to up to N{sup -1}. We adapted and applied this approach to simple systems like the quantum harmonic and anharmonic oscillator and verified an improved error scaling.

Lattice solitons in Bose-Einstein condensates

International Nuclear Information System (INIS)

Efremidis, Nikolaos K.; Christodoulides, Demetrios N.

2003-01-01

We systematically study the properties of lattice solitons in Bose-Einstein condensates with either attractive or repulsive atom interactions. This is done, by exactly solving the mean-field Gross-Pitaevskii equation in the presence of a periodic potential. We find new families of lattice soliton solutions that are characterized by the position of the energy eigenvalue within the associated band structure. These include lattice solitons in condensates with either attractive or repulsive atom interactions that exist in finite or semi-infinite gaps, as well as nonlinear modes that exhibit atomic population cutoffs

Consistent force fields for saccharides

DEFF Research Database (Denmark)

Rasmussen, Kjeld

1999-01-01

Consistent force fields for carbohydrates were hitherto developed by extensive optimization ofpotential energy function parameters on experimental data and on ab initio results. A wide range of experimental data is used: internal structures obtained from gas phase electron diffraction and from x......-anomeric effects are accounted for without addition of specific terms. The work is done in the framework of the Consistent Force Field which originatedin Israel and was further developed in Denmark. The actual methods and strategies employed havebeen described previously. Extensive testing of the force field...

Two-dimensional melting of vortex lattices and the mutual vortex drag effect in a superconducting transformer

International Nuclear Information System (INIS)

Glazman, L.I.; Fogel', N.Y.

1984-01-01

A study is reported of the effect of two-dimensional melting of a vortex lattice on the current-voltage characteristic of a transformer, in the form of the dependence of the secondary voltage V 2 on the primary-circuit transport current J 1 . The motion of vortices in the melted lattice is described in the diffusion approximation, and their interaction in the self-consistent field approximation. The melting of even one lattice largely eliminates the vortex drag: V 2 1 for any current J 1 . The square-root singularity of the characteristics which is typical of the ordinary transformer operation no longer occurs in the critical temperature range. In the linear part of the characteristic, the ratio V 2 /V 1 is inversely proportional to the magnetic field H over a wide range of the latter. The temperature dependence of V 2 and the asymptotic function V 2 (J 1 ) for large J 1 are different, according as one or both lattices melt. The transformer current-voltage characteristic thus conveys information about the state of the vortex lattice and allows its melting to be investigated. The function V 2 (V 1 ) and V 2 (H) found here agree well with experiment, and the experimental results can thus be explained by the melting of a vortex lattice

Back-reaction beyond the mean field approximation

International Nuclear Information System (INIS)

Kluger, Y.

1993-01-01

A method for solving an initial value problem of a closed system consisting of an electromagnetic mean field and its quantum fluctuations coupled to fermions is presented. By tailoring the large N f expansion method to the Schwinger-Keldysh closed time path (CTP) formulation of the quantum effective action, causality of the resulting equations of motion is ensured, and a systematic energy conserving and gauge invariant expansion about the electromagnetic mean field in powers of 1/N f is developed. The resulting equations may be used to study the quantum nonequilibrium effects of pair creation in strong electric fields and the scattering and transport processes of a relativistic e + e - plasma. Using the Bjorken ansatz of boost invariance initial conditions in which the initial electric mean field depends on the proper time only, we show numerical results for the case in which the N f expansion is truncated in the lowest order, and compare them with those of a phenomenological transport equation

Stochastic quantization of field theories on the lattice and supersymmetrical models

International Nuclear Information System (INIS)

Aldazabal, Gerardo.

1984-01-01

Several aspects of the stochastic quantization method are considered. Specifically, field theories on the lattice and supersymmetrical models are studied. A non-linear sigma model is studied firstly, and it is shown that it is possible to obtain evolution equations written directly for invariant quantities. These ideas are generalized to obtain Langevin equations for the Wilson loops of non-abelian lattice gauge theories U (N) and SU (N). In order to write these equations, some different ways of introducing the constraints which the fields must satisfy are discussed. It is natural to have a strong coupling expansion in these equations. The correspondence with quantum field theory is established, and it is noticed that at all orders in the perturbation theory, Langevin equations reduce to Schwinger-Dyson equations. From another point of view, stochastic quantization is applied to large N matrix models on the lattice. As a result, a simple and systematic way of building reduced models is found. Referring to stochastic quantization in supersymmetric theories, a simple supersymmetric model is studied. It is shown that it is possible to write an evolution equation for the superfield wich leads to quantum field theory results in equilibrium. As the Langevin equation preserves supersymmetry, the property of dimensional reduction known for the quantum model is shown to be valid at all times. (M.E.L.) [es

Coupled Dyson-Schwinger equations and effects of self-consistency

International Nuclear Information System (INIS)

Wu, S.S.; Zhang, H.X.; Yao, Y.J.

2001-01-01

Using the σ-ω model as an effective tool, the effects of self-consistency are studied in some detail. A coupled set of Dyson-Schwinger equations for the renormalized baryon and meson propagators in the σ-ω model is solved self-consistently according to the dressed Hartree-Fock scheme, where the hadron propagators in both the baryon and meson self-energies are required to also satisfy this coupled set of equations. It is found that the self-consistency affects the baryon spectral function noticeably, if only the interaction with σ mesons is considered. However, there is a cancellation between the effects due to the σ and ω mesons and the additional contribution of ω mesons makes the above effect insignificant. In both the σ and σ-ω cases the effects of self-consistency on meson spectral function are perceptible, but they can nevertheless be taken account of without a self-consistent calculation. Our study indicates that to include the meson propagators in the self-consistency requirement is unnecessary and one can stop at an early step of an iteration procedure to obtain a good approximation to the fully self-consistent results of all the hadron propagators in the model, if an appropriate initial input is chosen. Vertex corrections and their effects on ghost poles are also studied

Elementary methods for statistical systems, mean field, large-n, and duality

International Nuclear Information System (INIS)

Itzykson, C.

1983-01-01

Renormalizable field theories are singled out by such precise restraints that regularization schemes must be used to break these invariances. Statistical methods can be adapted to these problems where asymptotically free models fail. This lecture surveys approximation schemes developed in the context of statistical mechanics. The confluence point of statistical mechanics and field theory is the use of discretized path integrals, where continuous space time has been replaced by a regular lattice. Dynamic variables, a Boltzman weight factor, and boundary conditions are the ingredients. Mean field approximations --field equations, Random field transform, and gauge invariant systems--are surveyed. Under Large-N limits vector models are found to simplify tremendously. The reasons why matrix models drawn from SU (n) gauge theories do not simplify are discussed. In the epilogue, random curves versus random surfaces are offered as an example where global and local symmetries are not alike

Isospin-dependent properties of asymmetric nuclear matter in relativistic mean-field models

OpenAIRE

Chen, Lie-Wen; Ko, Che Ming; Li, Bao-An

2007-01-01

Using various relativistic mean-field models, including the nonlinear ones with meson field self-interactions, those with density-dependent meson-nucleon couplings, and the point-coupling models without meson fields, we have studied the isospin-dependent bulk and single-particle properties of asymmetric nuclear matter. In particular, we have determined the density dependence of nuclear symmetry energy from these different relativistic mean-field models and compare the results with the constra...

Renormalization of Supersymmetric QCD on the Lattice

Science.gov (United States)

Costa, Marios; Panagopoulos, Haralambos

2018-03-01

We perform a pilot study of the perturbative renormalization of a Supersymmetric gauge theory with matter fields on the lattice. As a specific example, we consider Supersymmetric N=1 QCD (SQCD). We study the self-energies of all particles which appear in this theory, as well as the renormalization of the coupling constant. To this end we compute, perturbatively to one-loop, the relevant two-point and three-point Green's functions using both dimensional and lattice regularizations. Our lattice formulation involves theWilson discretization for the gluino and quark fields; for gluons we employ the Wilson gauge action; for scalar fields (squarks) we use naive discretization. The gauge group that we consider is SU(Nc), while the number of colors, Nc, the number of flavors, Nf, and the gauge parameter, α, are left unspecified. We obtain analytic expressions for the renormalization factors of the coupling constant (Zg) and of the quark (ZΨ), gluon (Zu), gluino (Zλ), squark (ZA±), and ghost (Zc) fields on the lattice. We also compute the critical values of the gluino, quark and squark masses. Finally, we address the mixing which occurs among squark degrees of freedom beyond tree level: we calculate the corresponding mixing matrix which is necessary in order to disentangle the components of the squark field via an additional finite renormalization.

Excitations of the field-induced quantum soliton lattice in CuGeO3

DEFF Research Database (Denmark)

Enderle, M.; Rønnow, H.M.; McMorrow, D.F.

2001-01-01

The incommensurate magnetic soliton lattice in the high-field phase of a spin-Peierls system results from quantum fluctuations. We have used neutron scattering techniques to study CuGeO3, allowing us to obtain the first complete characterization of the excitations of the soliton lattice. Three...

Self-Sorting of White Blood Cells in a Lattice

Science.gov (United States)

Carlson, Robert H.; Gabel, Christopher V.; Chan, Shirley S.; Austin, Robert H.; Brody, James P.; James, D. W. Winkelman M.

1997-09-01

When a drop of human blood containing red and white blood cells is forced to move via hydrodynamic forces in a lattice of channels designed to mimic the capillary channels, the white cells self-fractionate into the different types of white cells. The pattern of white cells that forms is due to a combination of stretch-activated adhesion of cells with the walls, stochastic sticking probabilities, and heteroavoidance between granulocytes and lymphocytes.

Glueball Spectrum and Matrix Elements on Anisotropic Lattices

Energy Technology Data Exchange (ETDEWEB)

Y. Chen; A. Alexandru; S.J. Dong; T. Draper; I. Horvath; F.X. Lee; K.F. Liu; N. Mathur; C. Morningstar; M. Peardon; S. Tamhankar; B.L. Young; J.B. Zhang

2006-01-01

The glueball-to-vacuum matrix elements of local gluonic operators in scalar, tensor, and pseudoscalar channels are investigated numerically on several anisotropic lattices with the spatial lattice spacing ranging from 0.1fm - 0.2fm. These matrix elements are needed to predict the glueball branching ratios in J/{psi} radiative decays which will help identify the glueball states in experiments. Two types of improved local gluonic operators are constructed for a self-consistent check and the finite volume effects are studied. We find that lattice spacing dependence of our results is very weak and the continuum limits are reliably extrapolated, as a result of improvement of the lattice gauge action and local operators. We also give updated glueball masses with various quantum numbers.

Conformal consistency relations for single-field inflation

International Nuclear Information System (INIS)

Creminelli, Paolo; Noreña, Jorge; Simonović, Marko

2012-01-01

We generalize the single-field consistency relations to capture not only the leading term in the squeezed limit — going as 1/q 3 , where q is the small wavevector — but also the subleading one, going as 1/q 2 . This term, for an (n+1)-point function, is fixed in terms of the variation of the n-point function under a special conformal transformation; this parallels the fact that the 1/q 3 term is related with the scale dependence of the n-point function. For the squeezed limit of the 3-point function, this conformal consistency relation implies that there are no terms going as 1/q 2 . We verify that the squeezed limit of the 4-point function is related to the conformal variation of the 3-point function both in the case of canonical slow-roll inflation and in models with reduced speed of sound. In the second case the conformal consistency conditions capture, at the level of observables, the relation among operators induced by the non-linear realization of Lorentz invariance in the Lagrangian. These results mean that, in any single-field model, primordial correlation functions of ζ are endowed with an SO(4,1) symmetry, with dilations and special conformal transformations non-linearly realized by ζ. We also verify the conformal consistency relations for any n-point function in models with a modulation of the inflaton potential, where the scale dependence is not negligible. Finally, we generalize (some of) the consistency relations involving tensors and soft internal momenta

Regular and chaotic dynamics in time-dependent relativistic mean-field theory

International Nuclear Information System (INIS)

Vretenar, D.; Ring, P.; Lalazissis, G.A.; Poeschl, W.

1997-01-01

Isoscalar and isovector monopole oscillations that correspond to giant resonances in spherical nuclei are described in the framework of time-dependent relativistic mean-field theory. Time-dependent and self-consistent calculations that reproduce experimental data on monopole resonances in 208 Pb show that the motion of the collective coordinate is regular for isoscalar oscillations, and that it becomes chaotic when initial conditions correspond to the isovector mode. Regular collective dynamics coexists with chaotic oscillations on the microscopic level. Time histories, Fourier spectra, state-space plots, Poincare sections, autocorrelation functions, and Lyapunov exponents are used to characterize the nonlinear system and to identify chaotic oscillations. Analogous considerations apply to higher multipolarities. copyright 1997 The American Physical Society

An elasto-plastic self-consistent model with hardening based on dislocation density, twinning and de-twinning: Application to strain path changes in HCP metals

International Nuclear Information System (INIS)

Zecevic, Milovan; Knezevic, Marko; Beyerlein, Irene J.; Tomé, Carlos N.

2015-01-01

In this work, we develop a polycrystal mean-field constitutive model based on an elastic–plastic self-consistent (EPSC) framework. In this model, we incorporate recently developed subgrain models for dislocation density evolution with thermally activated slip, twin activation via statistical stress fluctuations, reoriented twin domains within the grain and associated stress relaxation, twin boundary hardening, and de-twinning. The model is applied to a systematic set of strain path change tests on pure beryllium (Be). Under the applied deformation conditions, Be deforms by multiple slip modes and deformation twinning and thereby provides a challenging test for model validation. With a single set of material parameters, determined using the flow-stress vs. strain responses during monotonic testing, the model predicts well the evolution of texture, lattice strains, and twinning. With further analysis, we demonstrate the significant influence of internal residual stresses on (1) the flow stress drop when reloading from one path to another, (2) deformation twin activation, (3) de-twinning during a reversal strain path change, and (4) the formation of additional twin variants during a cross-loading sequence. The model presented here can, in principle, be applied to other metals, deforming by multiple slip and twinning modes under a wide range of temperature, strain rate, and strain path conditions

Simulations of Turbulence in Tokamak Edge and Effects of Self-Consistent Zonal Flows

Science.gov (United States)

Cohen, Bruce; Umansky, Maxim

2013-10-01

Progress is reported on simulations of electromagnetic drift-resistive ballooning turbulence in the tokamak edge. This extends previous work to include self-consistent zonal flows and their effects. The previous work addressed simulation of L-mode tokamak edge turbulence using the turbulence code BOUT that solves Braginskii-based plasma fluid equations in tokamak edge domain. The calculations use realistic single-null geometry and plasma parameters of the DIII-D tokamak and produce fluctuation amplitudes, fluctuation spectra, and particle and thermal fluxes that compare favorably to experimental data. In the effect of sheared ExB poloidal rotation is included with an imposed static radial electric field fitted to experimental data. In the new work here we include the radial electric field self-consistently driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We present simulations with/without zonal flows for both cylindrical geometry, as in the UCLA Large Plasma Device, and for the DIII-D tokamak L-mode cases in to quantify the influence of self-consistent zonal flows on the microturbulence and the concomitant transport. This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory.

Self-consistent RPA calculations with Skyrme-type interactions: The skyrme_rpa program

Science.gov (United States)

Colò, Gianluca; Cao, Ligang; Van Giai, Nguyen; Capelli, Luigi

2013-01-01

Random Phase Approximation (RPA) calculations are nowadays an indispensable tool in nuclear physics studies. We present here a complete version implemented with Skyrme-type interactions, with the spherical symmetry assumption, that can be used in cases where the effects of pairing correlations and of deformation can be ignored. The full self-consistency between the Hartree-Fock mean field and the RPA excitations is enforced, and it is numerically controlled by comparison with energy-weighted sum rules. The main limitations are that charge-exchange excitations and transitions involving spin operators are not included in this version. Program summaryProgram title: skyrme_rpa (v 1.00) Catalogue identifier: AENF_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AENF_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5531 No. of bytes in distributed program, including test data, etc.: 39435 Distribution format: tar.gz Programming language: FORTRAN-90/95; easily downgradable to FORTRAN-77. Computer: PC with Intel Celeron, Intel Pentium, AMD Athlon and Intel Core Duo processors. Operating system: Linux, Windows. RAM: From 4 MBytes to 150 MBytes, depending on the size of the nucleus and of the model space for RPA. Word size: The code is written with a prevalent use of double precision or REAL(8) variables; this assures 15 significant digits. Classification: 17.24. Nature of problem: Systematic observations of excitation properties in finite nuclear systems can lead to improved knowledge of the nuclear matter equation of state as well as a better understanding of the effective interaction in the medium. This is the case of the nuclear giant resonances and low-lying collective excitations, which can be described as small amplitude collective motions in the framework of

Nonlinear and self-consistent treatment of ECRH

Energy Technology Data Exchange (ETDEWEB)

Tsironis, C.; Vlahos, L.

2005-07-01

A self-consistent formulation for the nonlinear interaction of electromagnetic waves with relativistic magnetized electrons is applied for the description of the ECRH. In general, electron-cyclotron absorption is the result of resonances between the cyclotron harmonics and the Doppler-shifted waver frequency. The resonant interaction results to an intense wave-particle energy exchange and an electron acceleration, and for that reason it is widely applied in fusion experiments for plasma heating and current drive. The linear theory, for the wave absorption, as well as the quasilinear theory for the electron distribution function, are the most frequently-used tools for the study of wave-particle interactions. However, in many cases the validity of these theories is violated, namely cases where nonlinear effects, like, e. g. particle trapping in the wave field, are dominant in the particle phase-space. Our model consists of electrons streaming and gyrating in a tokamak plasma slab, which is finite in the directions perpendicular to the main magnetic field. The particles interact with an electromagnetic electron-cyclotron wave of the ordinary (O-) or the extraordinary (X-) mode. A set of nonlinear and relativistic equations is derived, which take into account the effects of the charged particle motions on the wave. These consist of the equations of motion for the plasma electrons in the slab, as well as the wave equation in terms of the vector potential. The effect of the electron motions on the temporal evolution of the wave is reflected in the current density source term. (Author)

Nonlinear and self-consistent treatment of ECRH

International Nuclear Information System (INIS)

Tsironis, C.; Vlahos, L.

2005-01-01

A self-consistent formulation for the nonlinear interaction of electromagnetic waves with relativistic magnetized electrons is applied for the description of the ECRH. In general, electron-cyclotron absorption is the result of resonances between the cyclotron harmonics and the Doppler-shifted waver frequency. The resonant interaction results to an intense wave-particle energy exchange and an electron acceleration, and for that reason it is widely applied in fusion experiments for plasma heating and current drive. The linear theory, for the wave absorption, as well as the quasilinear theory for the electron distribution function, are the most frequently-used tools for the study of wave-particle interactions. However, in many cases the validity of these theories is violated, namely cases where nonlinear effects, like, e. g. particle trapping in the wave field, are dominant in the particle phase-space. Our model consists of electrons streaming and gyrating in a tokamak plasma slab, which is finite in the directions perpendicular to the main magnetic field. The particles interact with an electromagnetic electron-cyclotron wave of the ordinary (O-) or the extraordinary (X-) mode. A set of nonlinear and relativistic equations is derived, which take into account the effects of the charged particle motions on the wave. These consist of the equations of motion for the plasma electrons in the slab, as well as the wave equation in terms of the vector potential. The effect of the electron motions on the temporal evolution of the wave is reflected in the current density source term. (Author)

Cavity-induced artificial gauge field in a Bose-Hubbard ladder

Science.gov (United States)

Halati, Catalin-Mihai; Sheikhan, Ameneh; Kollath, Corinna

2017-12-01

We consider theoretically ultracold interacting bosonic atoms confined to quasi-one-dimensional ladder structures formed by optical lattices and coupled to the field of an optical cavity. The atoms can collect a spatial phase imprint during a cavity-assisted tunneling along a rung via Raman transitions employing a cavity mode and a transverse running wave pump beam. By adiabatic elimination of the cavity field we obtain an effective Hamiltonian for the bosonic atoms, with a self-consistency condition. Using the numerical density-matrix renormalization-group method, we obtain a rich steady-state diagram of self-organized steady states. Transitions between superfluid to Mott-insulating states occur, on top of which we can have Meissner, vortex liquid, and vortex lattice phases. Also a state that explicitly breaks the symmetry between the two legs of the ladder, namely, the biased-ladder phase, is dynamically stabilized. We investigate the influence that a trapping potential has on the stability of the self-organized phases.

Mixtures of bosonic and fermionic atoms in optical lattices

International Nuclear Information System (INIS)

Albus, Alexander; Illuminati, Fabrizio; Eisert, Jens

2003-01-01

We discuss the theory of mixtures of bosonic and fermionic atoms in periodic potentials at zero temperature. We derive a general Bose-Fermi Hubbard Hamiltonian in a one-dimensional optical lattice with a superimposed harmonic trapping potential. We study the conditions for linear stability of the mixture and derive a mean-field criterion for the onset of a bosonic superfluid transition. We investigate the ground-state properties of the mixture in the Gutzwiller formulation of mean-field theory, and present numerical studies of finite systems. The bosonic and fermionic density distributions and the onset of quantum phase transitions to demixing and to a bosonic Mott-insulator are studied as a function of the lattice potential strength. The existence is predicted of a disordered phase for mixtures loaded in very deep lattices. Such a disordered phase possessing many degenerate or quasidegenerate ground states is related to a breaking of the mirror symmetry in the lattice

Bootstrapping gravity: A consistent approach to energy-momentum self-coupling

International Nuclear Information System (INIS)

Butcher, Luke M.; Hobson, Michael; Lasenby, Anthony

2009-01-01

It is generally believed that coupling the graviton (a classical Fierz-Pauli massless spin-2 field) to its own energy-momentum tensor successfully recreates the dynamics of the Einstein field equations order by order; however the validity of this idea has recently been brought into doubt [T. Padmanabhan, Int. J. Mod. Phys. D 17, 367 (2008).]. Motivated by this, we present a graviton action for which energy-momentum self-coupling is indeed consistent with the Einstein field equations. The Hilbert energy-momentum tensor for this graviton is calculated explicitly and shown to supply the correct second-order term in the field equations; in contrast, the Fierz-Pauli action fails to supply the correct term. A formalism for perturbative expansions of metric-based gravitational theories is then developed, and these techniques employed to demonstrate that our graviton action is a starting point for a straightforward energy-momentum self-coupling procedure that, order by order, generates the Einstein-Hilbert action (up to a classically irrelevant surface term). The perturbative formalism is extended to include matter and a cosmological constant, and interactions between perturbations of a free matter field and the gravitational field are studied in a vacuum background. Finally, the effect of a nonvacuum background is examined, and the graviton is found to develop a nonvanishing 'mass-term' in the action.

Analytic approximations to hamiltonian lattice field theories. Pt. 2

International Nuclear Information System (INIS)

Surany, P.

1983-01-01

It is shown that at weak coupling physical quantities in hamiltonian U(1) lattice gauge (or global symmetric) theories of arbitrary dimension are provided as expectation values in a d - 1 dimensional lagrangian Z(2) gauge (or spin) theory with calculable long-range interactions. Confinement and the existence of a magnetic mass gap are equivalent to the existence of infinite-range plaquette-plaquette (or link-link) correlations in the spin field. The existence of infinite range correlations is simply related to the dimension of the lattice and the transformation property of the order parameter. As expected, only the d = 2 + 1 U(1) gauge theory confines electric charges at all non-vanishing coupling. (orig.)

σ-SCF: A direct energy-targeting method to mean-field excited states.

Science.gov (United States)

Ye, Hong-Zhou; Welborn, Matthew; Ricke, Nathan D; Van Voorhis, Troy

2017-12-07

The mean-field solutions of electronic excited states are much less accessible than ground state (e.g., Hartree-Fock) solutions. Energy-based optimization methods for excited states, like Δ-SCF (self-consistent field), tend to fall into the lowest solution consistent with a given symmetry-a problem known as "variational collapse." In this work, we combine the ideas of direct energy-targeting and variance-based optimization in order to describe excited states at the mean-field level. The resulting method, σ-SCF, has several advantages. First, it allows one to target any desired excited state by specifying a single parameter: a guess of the energy of that state. It can therefore, in principle, find all excited states. Second, it avoids variational collapse by using a variance-based, unconstrained local minimization. As a consequence, all states-ground or excited-are treated on an equal footing. Third, it provides an alternate approach to locate Δ-SCF solutions that are otherwise hardly accessible by the usual non-aufbau configuration initial guess. We present results for this new method for small atoms (He, Be) and molecules (H 2 , HF). We find that σ-SCF is very effective at locating excited states, including individual, high energy excitations within a dense manifold of excited states. Like all single determinant methods, σ-SCF shows prominent spin-symmetry breaking for open shell states and our results suggest that this method could be further improved with spin projection.

σ-SCF: A direct energy-targeting method to mean-field excited states

Science.gov (United States)

Ye, Hong-Zhou; Welborn, Matthew; Ricke, Nathan D.; Van Voorhis, Troy

2017-12-01

The mean-field solutions of electronic excited states are much less accessible than ground state (e.g., Hartree-Fock) solutions. Energy-based optimization methods for excited states, like Δ-SCF (self-consistent field), tend to fall into the lowest solution consistent with a given symmetry—a problem known as "variational collapse." In this work, we combine the ideas of direct energy-targeting and variance-based optimization in order to describe excited states at the mean-field level. The resulting method, σ-SCF, has several advantages. First, it allows one to target any desired excited state by specifying a single parameter: a guess of the energy of that state. It can therefore, in principle, find all excited states. Second, it avoids variational collapse by using a variance-based, unconstrained local minimization. As a consequence, all states—ground or excited—are treated on an equal footing. Third, it provides an alternate approach to locate Δ-SCF solutions that are otherwise hardly accessible by the usual non-aufbau configuration initial guess. We present results for this new method for small atoms (He, Be) and molecules (H2, HF). We find that σ-SCF is very effective at locating excited states, including individual, high energy excitations within a dense manifold of excited states. Like all single determinant methods, σ-SCF shows prominent spin-symmetry breaking for open shell states and our results suggest that this method could be further improved with spin projection.

Origin and orientation of electric field gradient in ordered FeNi

International Nuclear Information System (INIS)

Guenzburger, D.J.R.; Ellis, D.E.

1987-01-01

The electronic structure of tetrataenite, the ordered phase of Fe Ni, has been studied in the molecular cluster approximation using local density theory. Clusters containing 13 and 19 atoms were embedded in the fcc host lattice and spin-unrestricted potentials were iterated to self-consistency. Local moments, magnetic hyperfine fields and electric field gradients (EFG) at the iron sites were determined for comparison with experiment. (Author) [pt

Unconventional spin dynamics in the honeycomb-lattice material α -RuCl3 : High-field electron spin resonance studies

Science.gov (United States)

Ponomaryov, A. N.; Schulze, E.; Wosnitza, J.; Lampen-Kelley, P.; Banerjee, A.; Yan, J.-Q.; Bridges, C. A.; Mandrus, D. G.; Nagler, S. E.; Kolezhuk, A. K.; Zvyagin, S. A.

2017-12-01

We present high-field electron spin resonance (ESR) studies of the honeycomb-lattice material α -RuCl3 , a prime candidate to exhibit Kitaev physics. Two modes of antiferromagnetic resonance were detected in the zigzag ordered phase, with magnetic field applied in the a b plane. A very rich excitation spectrum was observed in the field-induced quantum paramagnetic phase. The obtained data are compared with the results of recent numerical calculations, strongly suggesting a very unconventional multiparticle character of the spin dynamics in α -RuCl3 . The frequency-field diagram of the lowest-energy ESR mode is found consistent with the behavior of the field-induced energy gap, revealed by thermodynamic measurements.

The lattice thermal conductivity of pure metals: Aluminium and Indium, ch. 4

International Nuclear Information System (INIS)

Lang, H.N. de

1977-01-01

The lattice conductivity of aluminium and indium has been determined by reducing the electronic thermal conductivity by means of a magnetic field. This was done using the Corbino configuration which prevents the thermal Hall field from forming, hence produces the largest magnetoresistance for a given field strength. In this way for the first time the lattice conductivity of Al and In was measured by the magnetic field method. Apart from a discussion of these results, a comprehensive and critical examination is given of the different methods to determine the lattice conductivity of metals, the phenomenon of the linear magnetoresistance, the quadratic field dependence of the MR and the anomalous lattice conductivity of Potassium as well as the phenomenon of curve crossing

Self-consistent modeling of amorphous silicon devices

International Nuclear Information System (INIS)

Hack, M.

1987-01-01

The authors developed a computer model to describe the steady-state behaviour of a range of amorphous silicon devices. It is based on the complete set of transport equations and takes into account the important role played by the continuous distribution of localized states in the mobility gap of amorphous silicon. Using one set of parameters they have been able to self-consistently simulate the current-voltage characteristics of p-i-n (or n-i-p) solar cells under illumination, the dark behaviour of field-effect transistors, p-i-n diodes and n-i-n diodes in both the ohmic and space charge limited regimes. This model also describes the steady-state photoconductivity of amorphous silicon, in particular, its dependence on temperature, doping and illumination intensity

Non linear self consistency of microtearing modes

International Nuclear Information System (INIS)

Garbet, X.; Mourgues, F.; Samain, A.

1987-01-01

The self consistency of a microtearing turbulence is studied in non linear regimes where the ergodicity of the flux lines determines the electron response. The current which sustains the magnetic perturbation via the Ampere law results from the combines action of the radial electric field in the frame where the island chains are static and of the thermal electron diamagnetism. Numerical calculations show that at usual values of β pol in Tokamaks the turbulence can create a diffusion coefficient of order ν th p 2 i where p i is the ion larmor radius and ν th the electron ion collision frequency. On the other hand, collisionless regimes involving special profiles of each mode near the resonant surface seem possible

Non-Born-Oppenheimer trajectories with self-consistent decay of mixing

International Nuclear Information System (INIS)

Zhu Chaoyuan; Jasper, Ahren W.; Truhlar, Donald G.

2004-01-01

A semiclassical trajectory method, called the self-consistent decay of mixing (SCDM) method, is presented for the treatment of electronically nonadiabatic dynamics. The SCDM method is a modification of the semiclassical Ehrenfest (SE) method (also called the semiclassical time-dependent self-consistent-field method) that solves the problem of unphysical mixed final states by including decay-of-mixing terms in the equations for the evolution of the electronic state populations. These terms generate a force, called the decoherent force (or dephasing force), that drives the electronic component of each trajectory toward a pure state. Results for several mixed quantum-classical methods, in particular the SCDM, SE, and natural-decay-of-mixing methods and several trajectory surface hopping methods, are compared to the results of accurate quantum mechanical calculations for 12 cases involving five different fully dimensional triatomic model systems. The SCDM method is found to be the most accurate of the methods tested. The method should be useful for the simulation of photochemical reactions

Optimization of preparation method for ketoprofen-loaded microspheres consisting polymeric blends using simplex lattice mixture design

Energy Technology Data Exchange (ETDEWEB)

Das, Sanjoy Kumar, E-mail: sanjoydasju@gmail.com; Khanam, Jasmina; Nanda, Arunabha

2016-12-01

In the present investigation, simplex lattice mixture design was applied for formulation development and optimization of a controlled release dosage form of ketoprofen microspheres consisting polymers like ethylcellulose and Eudragit{sup ®}RL 100; when those were formed by oil-in-oil emulsion solvent evaporation method. The investigation was carried out to observe the effects of polymer amount, stirring speed and emulsifier concentration (% w/w) on percentage yield, average particle size, drug entrapment efficiency and in vitro drug release in 8 h from the microspheres. Analysis of variance (ANOVA) was used to estimate the significance of the models. Based on the desirability function approach numerical optimization was carried out. Optimized formulation (KTF-O) showed close match between actual and predicted responses with desirability factor 0.811. No adverse reaction between drug and polymers were observed on the basis of Fourier transform infrared (FTIR) spectroscopy and Differential scanning calorimetric (DSC) analysis. Scanning electron microscopy (SEM) was carried out to show discreteness of microspheres (149.2 ± 1.25 μm) and their surface conditions during pre and post dissolution operations. The drug release pattern from KTF-O was best explained by Korsmeyer-Peppas and Higuchi models. The batch of optimized microspheres were found with maximum entrapment (~ 90%), minimum loss (~ 10%) and prolonged drug release for 8 h (91.25%) which may be considered as favourable criteria of controlled release dosage form. - Graphical abstract: Optimization of preparation method for ketoprofen-loaded microspheres consisting polymeric blends using simplex lattice mixture design. - Highlights: • Simplex lattice design was used to optimize ketoprofen-loaded microspheres. • Polymeric blend (Ethylcellulose and Eudragit® RL 100) was used. • Microspheres were prepared by oil-in-oil emulsion solvent evaporation method. • Optimized formulation depicted favourable

Self-consistency corrections in effective-interaction calculations

International Nuclear Information System (INIS)

Starkand, Y.; Kirson, M.W.

1975-01-01

Large-matrix extended-shell-model calculations are used to compute self-consistency corrections to the effective interaction and to the linked-cluster effective interaction. The corrections are found to be numerically significant and to affect the rate of convergence of the corresponding perturbation series. The influence of various partial corrections is tested. It is concluded that self-consistency is an important effect in determining the effective interaction and improving the rate of convergence. (author)

Determination of D{sub 2}O - 2% enriched uranium lattice parameters by means of a critical system

Energy Technology Data Exchange (ETDEWEB)

Raisic, N; Takac, S; Markovic, H; Bosevski, T [Boris Kidric Institute of Nuclear Sciences Belgrade (Yugoslavia)

1963-07-01

In order to specify experimental procedures for few standard measurements sufficient to provide consistent set of lattice parameters, a series of experiments were performed at the RB reactor using 2% enriched tubular fuel elements. Obtained results were compared to standard two-group diffusion calculation indicating high degree of accuracy for a broad variety of reactor lattice configurations.

The concept of coupling impedance in the self-consistent plasma wake field excitation

International Nuclear Information System (INIS)

Fedele, R.; Akhter, T.; De Nicola, S.; Migliorati, M.; Marocchino, A.; Massimo, F.; Palumbo, L.

2016-01-01

Within the framework of the Vlasov–Maxwell system of equations, we describe the self-consistent interaction of a relativistic charged-particle beam with the surroundings while propagating through a plasma-based acceleration device. This is done in terms of the concept of coupling (longitudinal) impedance in full analogy with the conventional accelerators. It is shown that also here the coupling impedance is a very useful tool for the Nyquist-type stability analysis. Examples of specific physical situations are finally illustrated.

Self-consistent approximations beyond the CPA: Part II

International Nuclear Information System (INIS)

Kaplan, T.; Gray, L.J.

1982-01-01

This paper concentrates on a self-consistent approximation for random alloys developed by Kaplan, Leath, Gray, and Diehl. The construction of the augmented space formalism for a binary alloy is sketched, and the notation to be used derived. Using the operator methods of the augmented space, the self-consistent approximation is derived for the average Green's function, and for evaluating the self-energy, taking into account the scattering by clusters of excitations. The particular cluster approximation desired is derived by treating the scattering by the excitations with S /SUB T/ exactly. Fourier transforms on the disorder-space clustersite labels solve the self-consistent set of equations. Expansion to short range order in the alloy is also discussed. A method to reduce the problem to a computationally tractable form is described

General variational many-body theory with complete self-consistency for trapped bosonic systems

International Nuclear Information System (INIS)

Streltsov, Alexej I.; Alon, Ofir E.; Cederbaum, Lorenz S.

2006-01-01

In this work we develop a complete variational many-body theory for a system of N trapped bosons interacting via a general two-body potential. The many-body solution of this system is expanded over orthogonal many-body basis functions (configurations). In this theory both the many-body basis functions and the respective expansion coefficients are treated as variational parameters. The optimal variational parameters are obtained self-consistently by solving a coupled system of noneigenvalue--generally integro-differential--equations to get the one-particle functions and by diagonalizing the secular matrix problem to find the expansion coefficients. We call this theory multiconfigurational Hartree theory for bosons or MCHB(M), where M specifies explicitly the number of one-particle functions used to construct the configurations. General rules for evaluating the matrix elements of one- and two-particle operators are derived and applied to construct the secular Hamiltonian matrix. We discuss properties of the derived equations. We show that in the limiting cases of one configuration the theory boils down to the well-known Gross-Pitaevskii and the recently developed multi-orbital mean fields. The invariance of the complete solution with respect to unitary transformations of the one-particle functions is utilized to find the solution with the minimal number of contributing configurations. In the second part of our work we implement and apply the developed theory. It is demonstrated that for any practical computation where the configurational space is restricted, the description of trapped bosonic systems strongly depends on the choice of the many-body basis set used, i.e., self-consistency is of great relevance. As illustrative examples we consider bosonic systems trapped in one- and two-dimensional symmetric and asymmetric double well potentials. We demonstrate that self-consistency has great impact on the predicted physical properties of the ground and excited states

ERL with non-scaling fixed field alternating gradient lattice for eRHIC

Energy Technology Data Exchange (ETDEWEB)

Trbojevic, D. [Brookhaven National Lab. (BNL), Upton, NY (United States); Berg, J. S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Brooks, S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Hao, Y. [Brookhaven National Lab. (BNL), Upton, NY (United States); Litvinenko, V. N. [Brookhaven National Lab. (BNL), Upton, NY (United States); Liu, C. [Brookhaven National Lab. (BNL), Upton, NY (United States); Meot, F. [Brookhaven National Lab. (BNL), Upton, NY (United States); Minty, M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Ptitsyn, V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Roser, T. [Brookhaven National Lab. (BNL), Upton, NY (United States); Thieberger, P. [Brookhaven National Lab. (BNL), Upton, NY (United States); Tsoupas, N. [Brookhaven National Lab. (BNL), Upton, NY (United States)

2015-05-03

The proposed eRHIC electron-hadron collider uses a "non-scaling FFAG" (NS-FFAG) lattice to recirculate 16 turns of different energy through just two beam lines located in the RHIC tunnel. This paper presents lattices for these two FFAGs that are optimized for low magnet field and to minimize total synchrotron radiation across the energy range. The higher number of recirculations in the FFAG allows a shorter linac (1.322GeV) to be used, drastically reducing cost, while still achieving a 21.2 GeV maximum energy to collide with one of the existing RHIC hadron rings at up to 250GeV. eRHIC uses many cost-saving measures in addition to the FFAG: the linac operates in energy recovery mode, so the beams also decelerate via the same FFAG loops and energy is recovered from the interacted beam. All magnets will be constructed from NdFeB permanent magnet material, meaning chillers and large magnet power supplies are not needed. This paper also describes a small prototype ERL-FFAG accelerator that will test all of these technologies in combination to reduce technical risk for eRHIC.

On the characterization and software implementation of general protein lattice models.

Directory of Open Access Journals (Sweden)

Alessio Bechini

Full Text Available models of proteins have been widely used as a practical means to computationally investigate general properties of the system. In lattice models any sterically feasible conformation is represented as a self-avoiding walk on a lattice, and residue types are limited in number. So far, only two- or three-dimensional lattices have been used. The inspection of the neighborhood of alpha carbons in the core of real proteins reveals that also lattices with higher coordination numbers, possibly in higher dimensional spaces, can be adopted. In this paper, a new general parametric lattice model for simplified protein conformations is proposed and investigated. It is shown how the supporting software can be consistently designed to let algorithms that operate on protein structures be implemented in a lattice-agnostic way. The necessary theoretical foundations are developed and organically presented, pinpointing the role of the concept of main directions in lattice-agnostic model handling. Subsequently, the model features across dimensions and lattice types are explored in tests performed on benchmark protein sequences, using a Python implementation. Simulations give insights on the use of square and triangular lattices in a range of dimensions. The trend of potential minimum for sequences of different lengths, varying the lattice dimension, is uncovered. Moreover, an extensive quantitative characterization of the usage of the so-called "move types" is reported for the first time. The proposed general framework for the development of lattice models is simple yet complete, and an object-oriented architecture can be proficiently employed for the supporting software, by designing ad-hoc classes. The proposed framework represents a new general viewpoint that potentially subsumes a number of solutions previously studied. The adoption of the described model pushes to look at protein structure issues from a more general and essential perspective, making

Coulomb correlations in many-electron systems on the level of self-consistent fields

International Nuclear Information System (INIS)

Warken, M.

1991-06-01

It was the aim of this thesis to show means and ways, in order to regard Coulomb correlation already on the SCF level. As mean to facilitate this general averaged fields should serve. For this first in chapter I was shown, how by means of suitable gauge fixings terms into effective potentials of the Hartree-Fock or g-Hartree type are introduced, which permit an interpretation as correlation density or as effective coupling constant. The following considerations were exemplarily performed on the cases g-Hartree (in Coulomb gauge) and on f-Hartree-Fock. (orig./HSI) [de

Ito terms and the Maxwell field on the lattice

International Nuclear Information System (INIS)

D'Olivo, J.C.; Socolovsky, M.

1988-01-01

If lattice renormalization effects are ignored and the number of space-time dimensions is less than four, it is explicitly shown that the effective continuum action for the Maxwell field does not contain the so-called Ito terms. As is known, the qualitative reason for this result is the flat character of the integration measure

Grassmann methods in lattice field theory and statistical mechanics

International Nuclear Information System (INIS)

Bilgici, E.; Gattringer, C.; Huber, P.

2006-01-01

Full text: In two dimensions models of loops can be represented as simple Grassmann integrals. In our work we explore the generalization of these techniques to lattice field theories and statistical mechanic systems in three and four dimensions. We discuss possible strategies and applications for representations of loop and surface models as Grassmann integrals. (author)

Robots and lattice automata

CERN Document Server

Adamatzky, Andrew

2015-01-01

The book gives a comprehensive overview of the state-of-the-art research and engineering in theory and application of Lattice Automata in design and control of autonomous Robots. Automata and robots share the same notional meaning. Automata (originated from the latinization of the Greek word “αυτόματον”) as self-operating autonomous machines invented from ancient years can be easily considered the first steps of robotic-like efforts. Automata are mathematical models of Robots and also they are integral parts of robotic control systems. A Lattice Automaton is a regular array or a collective of finite state machines, or automata. The Automata update their states by the same rules depending on states of their immediate neighbours. In the context of this book, Lattice Automata are used in developing modular reconfigurable robotic systems, path planning and map exploration for robots, as robot controllers, synchronisation of robot collectives, robot vision, parallel robotic actuators. All chapters are...

Self-consistent calculation of atomic structure for mixture

International Nuclear Information System (INIS)

Meng Xujun; Bai Yun; Sun Yongsheng; Zhang Jinglin; Zong Xiaoping

2000-01-01

Based on relativistic Hartree-Fock-Slater self-consistent average atomic model, atomic structure for mixture is studied by summing up component volumes in mixture. Algorithmic procedure for solving both the group of Thomas-Fermi equations and the self-consistent atomic structure is presented in detail, and, some numerical results are discussed

Diffractive stacks of metamaterial lattices with a complex unit cell : Self-consistent long-range bianisotropic interactions in experiment and theory

NARCIS (Netherlands)

Kwadrin, A.; Koenderink, A.F.

2014-01-01

Metasurfaces and metamaterials promise arbitrary rerouting of light using two-dimensional (2D) planar arrangements of electric and magnetic scatterers, respectively, 3D stacks built out of such 2D planes. An important problem is how to self-consistently model the response of these systems in a

Statistical mechanics and stability of random lattice field theory

International Nuclear Information System (INIS)

Baskaran, G.

1984-01-01

The averaging procedure in the random lattice field theory is studied by viewing it as a statistical mechanics of a system of classical particles. The corresponding thermodynamic phase is shown to determine the random lattice configuration which contributes dominantly to the generating function. The non-abelian gauge theory in four (space plus time) dimensions in the annealed and quenched averaging versions is shown to exist as an ideal classical gas, implying that macroscopically homogeneous configurations dominate the configurational averaging. For the free massless scalar field theory with O(n) global symmetry, in the annealed average, the pressure becomes negative for dimensions greater than two when n exceeds a critical number. This implies that macroscopically inhomogeneous collapsed configurations contribute dominantly. In the quenched averaging, the collapse of the massless scalar field theory is prevented and the system becomes an ideal gas which is at infinite temperature. Our results are obtained using exact scaling analysis. We also show approximately that SU(N) gauge theory collapses for dimensions greater than four in the annealed average. Within the same approximation, the collapse is prevented in the quenched average. We also obtain exact scaling differential equations satisfied by the generating function and physical quantities. (orig.)

A Simulation Model for Drift Resistive Ballooning Turbulence Examining the Influence of Self-consistent Zonal Flows

Science.gov (United States)

Cohen, Bruce; Umansky, Maxim; Joseph, Ilon

2015-11-01

Progress is reported on including self-consistent zonal flows in simulations of drift-resistive ballooning turbulence using the BOUT + + framework. Previous published work addressed the simulation of L-mode edge turbulence in realistic single-null tokamak geometry using the BOUT three-dimensional fluid code that solves Braginskii-based fluid equations. The effects of imposed sheared ExB poloidal rotation were included, with a static radial electric field fitted to experimental data. In new work our goal is to include the self-consistent effects on the radial electric field driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We describe a model for including self-consistent zonal flows and an algorithm for maintaining underlying plasma profiles to enable the simulation of steady-state turbulence. We examine the role of Braginskii viscous forces in providing necessary dissipation when including axisymmetric perturbations. We also report on some of the numerical difficulties associated with including the axisymmetric component of the fluctuating fields. This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory (LLNL-ABS-674950).

Self-organization of the critical state in Josephson lattices and granulated superconductors

International Nuclear Information System (INIS)

Ginzburg, S.L.

1994-01-01

A number of models of a Josephson medium and granulated superconductors are studied. It is shown that an important parameter is the quantity V∼j c a 3 /Φ 0 , where j c is the Josephson-current density, a is the granule size, and Φ 0 is the quantum of flux. In the limit V>>1 the continuum approximation is inapplicable. In this case the Josephson medium is transformed into a system in which pinning is realized on elementary loops that incorporate Josephson junctions. Here, nonlinear properties of these junctions obtain. The equations obtained for the currents of the Josephson lattice are identical to the standard formulation in the problem of self-organized criticality, while in granulated superconductors a problem of self-organized criticality with a different symmetry arises-a problem not of sites, but of loop. From the point of view of the critical state in granulated superconductors the concept of self-organized criticality radically changes the entire customary picture. The usual equations of the critical state describe only the average values of the magnetic field in the hydrodynamic approximation. However, it follows from the concept of self-organized criticality that the critical state has an extremely complicated structure, much more complicated than that which follows from the equation of the critical state. In particular, the fluctuations of various quantities in the critical state are much stronger than the ordinary statistical fluctuations, since there are large-scale fluctuations of the currents and fields, with a power-law (scaling) behavior that extends up to scales of the order of the size of the system, as in a turbulent medium. On the other hand, the basic equations in it reflect all the features of pinning - hysteresis and threshold behavior. Therefore, the self-organization of the critical state of a superconductor is a natural realization of this extremely general problem. 15 refs., 4 figs

Anomaly cancellation condition in abelian lattice gauge theories

International Nuclear Information System (INIS)

Suzuki, Hiroshi

1999-11-01

We analyze the general solution of the Wess-Zumino consistency condition in abelian lattice gauge theories, without taking the classical continuum limit. We find that, if the anomaly density is a local pseudo-scalar field on the lattice, the non-trivial anomaly is always proportional to the anomaly coefficient in the continuum theory. The possible extension of this result to non-abelian theories is briefly discussed. (author)

An extended approach for computing the critical properties in the two-and three-dimensional lattices within the effective-field renormalization group method

Science.gov (United States)

de Albuquerque, Douglas F.; Santos-Silva, Edimilson; Moreno, N. O.

2009-10-01

In this letter we employing the effective-field renormalization group (EFRG) to study the Ising model with nearest neighbors to obtain the reduced critical temperature and exponents ν for bi- and three-dimensional lattices by increasing cluster scheme by extending recent works. The technique follows up the same strategy of the mean field renormalization group (MFRG) by introducing an alternative way for constructing classical effective-field equations of state takes on rigorous Ising spin identities.

An extended approach for computing the critical properties in the two-and three-dimensional lattices within the effective-field renormalization group method

Energy Technology Data Exchange (ETDEWEB)

Albuquerque, Douglas F. de [Departamento de Matematica, Universidade Federal de Sergipe, 49100-000 Sao Cristovao, SE (Brazil)], E-mail: douglas@ufs.br; Santos-Silva, Edimilson [Departamento de Matematica, Universidade Federal de Sergipe, 49100-000 Sao Cristovao, SE (Brazil); Moreno, N.O. [Departamento de Fisica, Universidade Federal de Sergipe, 49100-000 Sao Cristovao, SE (Brazil)

2009-10-15

In this letter we employing the effective-field renormalization group (EFRG) to study the Ising model with nearest neighbors to obtain the reduced critical temperature and exponents {nu} for bi- and three-dimensional lattices by increasing cluster scheme by extending recent works. The technique follows up the same strategy of the mean field renormalization group (MFRG) by introducing an alternative way for constructing classical effective-field equations of state takes on rigorous Ising spin identities.

An extended approach for computing the critical properties in the two-and three-dimensional lattices within the effective-field renormalization group method

International Nuclear Information System (INIS)

Albuquerque, Douglas F. de; Santos-Silva, Edimilson; Moreno, N.O.

2009-01-01

In this letter we employing the effective-field renormalization group (EFRG) to study the Ising model with nearest neighbors to obtain the reduced critical temperature and exponents ν for bi- and three-dimensional lattices by increasing cluster scheme by extending recent works. The technique follows up the same strategy of the mean field renormalization group (MFRG) by introducing an alternative way for constructing classical effective-field equations of state takes on rigorous Ising spin identities.

Communication: An efficient approach to compute state-specific nuclear gradients for a generic state-averaged multi-configuration self consistent field wavefunction

Energy Technology Data Exchange (ETDEWEB)

Granovsky, Alexander A., E-mail: alex.granovsky@gmail.com [Firefly project, Moscow, 117593 Moscow (Russian Federation)

2015-12-21

We present a new, very efficient semi-numerical approach for the computation of state-specific nuclear gradients of a generic state-averaged multi-configuration self consistent field wavefunction. Our approach eliminates the costly coupled-perturbed multi-configuration Hartree-Fock step as well as the associated integral transformation stage. The details of the implementation within the Firefly quantum chemistry package are discussed and several sample applications are given. The new approach is routinely applicable to geometry optimization of molecular systems with 1000+ basis functions using a standalone multi-core workstation.

Communication: An efficient approach to compute state-specific nuclear gradients for a generic state-averaged multi-configuration self consistent field wavefunction

International Nuclear Information System (INIS)

Granovsky, Alexander A.

2015-01-01

We present a new, very efficient semi-numerical approach for the computation of state-specific nuclear gradients of a generic state-averaged multi-configuration self consistent field wavefunction. Our approach eliminates the costly coupled-perturbed multi-configuration Hartree-Fock step as well as the associated integral transformation stage. The details of the implementation within the Firefly quantum chemistry package are discussed and several sample applications are given. The new approach is routinely applicable to geometry optimization of molecular systems with 1000+ basis functions using a standalone multi-core workstation

Communication: An efficient approach to compute state-specific nuclear gradients for a generic state-averaged multi-configuration self consistent field wavefunction.

Science.gov (United States)

Granovsky, Alexander A

2015-12-21

We present a new, very efficient semi-numerical approach for the computation of state-specific nuclear gradients of a generic state-averaged multi-configuration self consistent field wavefunction. Our approach eliminates the costly coupled-perturbed multi-configuration Hartree-Fock step as well as the associated integral transformation stage. The details of the implementation within the Firefly quantum chemistry package are discussed and several sample applications are given. The new approach is routinely applicable to geometry optimization of molecular systems with 1000+ basis functions using a standalone multi-core workstation.

A self-consistent model of a thermally balanced quiescent prominence in magnetostatic equilibrium in a uniform gravitational field

International Nuclear Information System (INIS)

Lerche, I.; Low, B.C.

1977-01-01

A theoretical model of quiescent prominences in the form of an infinite vertical sheet is presented. Self-consistent solutions are obtained by integrating simultaneously the set of nonlinear equations of magnetostatic equilibrium and thermal balance. The basic features of the models are: (1) The prominence matter is confined to a sheet and supported against gravity by a bowed magnetic field. (2) The thermal flux is channelled along magnetic field lines. (3) The thermal flux is everywhere balanced by Low's (1975) hypothetical heat sink which is proportional to the local density. (4) A constant component of the magnetic field along the length of the prominence shields the cool plasma from the hot surrounding. It is assumed that the prominence plasma emits more radiation than it absorbes from the radiation fields of the photosphere, chromosphere and corona, and the above hypothetical heat sink is interpreted to represent the amount of radiative loss that must be balanced by a nonradiative energy input. Using a central density and temperature of 10 11 particles cm -3 and 5000 K respectively, a magnetic field strength between 2 to 10 gauss and a thermal conductivity that varies linearly with temperature, the physical properties implied by the model are discussed. The analytic treatment can also be carried out for a class of more complex thermal conductivities. These models provide a useful starting point for investigating the combined requirements of magnetostatic equilibrium and thermal balance in the quiescent prominence. (Auth.)

Self consistent solution of the tJ model in the overdoped regime

Science.gov (United States)

Shastry, B. Sriram; Hansen, Daniel

2013-03-01

Detailed results from a recent microscopic theory of extremely correlated Fermi liquids, applied to the t-J model in two dimensions, are presented. The theory is to second order in a parameter λ, and is valid in the overdoped regime of the tJ model. The solution reported here is from Ref, where relevant equations given in Ref are self consistently solved for the square lattice. Thermodynamic variables and the resistivity are displayed at various densities and T for two sets of band parameters. The momentum distribution function and the renormalized electronic dispersion, its width and asymmetry are reported along principal directions of the zone. The optical conductivity is calculated. The electronic spectral function A (k , ω) probed in ARPES, is detailed with different elastic scattering parameters to account for the distinction between LASER and synchrotron ARPES. A high (binding) energy waterfall feature, sensitively dependent on the band hopping parameter t' is noted. This work was supported by DOE under Grant No. FG02-06ER46319.

Uses of Effective Field Theory in Lattice QCD

OpenAIRE

Kronfeld, Andreas S.

2002-01-01

Several physical problems in particle physics, nuclear physics, and astrophysics require information from non-perturbative QCD to gain a full understanding. In some cases the most reliable technique for quantitative results is to carry out large-scale numerical calculations in lattice gauge theory. As in any numerical technique, there are several sources of uncertainty. This chapter explains how effective field theories are used to keep them under control and, then, obtain a sensible error ba...

On the binding of calcium by micelles composed of carboxy-modified pluronics measured by means of differential potentiometric titration and modeled with a self-consistent-field theory.

Science.gov (United States)

Lauw, Y; Leermakers, F A M; Cohen Stuart, M A; Pinheiro, J P; Custers, J P A; van den Broeke, L J P; Keurentjes, J T F

2006-12-19

We perform differential potentiometric titration measurements for the binding of Ca2+ ions to micelles composed of the carboxylic acid end-standing Pluronic P85 block copolymer (i.e., CAE-85 (COOH-(EO)26-(PO)39-(EO)26-COOH)). Two different ion-selective electrodes (ISEs) are used to detect the free calcium concentration; the first ISE is an indicator electrode, and the second is a reference electrode. The titration is done by adding the block copolymers to a known solution of Ca2+ at neutral pH and high enough temperature (above the critical micellization temperature CMT) and various amount of added monovalent salt. By measuring the difference in the electromotive force between the two ISEs, the amount of Ca2+ that is bound by the micelles is calculated. This is then used to determine the binding constant of Ca2+ with the micelles, which is a missing parameter needed to perform molecular realistic self-consistent-field (SCF) calculations. It turns out that the micelles from block copolymer CAE-85 bind Ca2+ ions both electrostatically and specifically. The specific binding between Ca2+ and carboxylic groups in the corona of the micelles is modeled through the reaction equilibrium -COOCa+ -COO- + Ca2+ with pKCa = 1.7 +/- 0.06.

Numerical simulation of the flow field in pump intakes by means of Lattice Boltzmann methods

International Nuclear Information System (INIS)

Schneider, A; Conrad, D; Böhle, M

2013-01-01

Lattice Boltzmann Methods are nowadays popular schemes for solving fluid flow problems of engineering interest. This popularity is due to the advantages of these schemes: For example, the meshing of the fluid domain can be performed fully automatically which results in great simplicity in handling complex geometries. In this paper a numerical scheme for the flow simulation in pump intakes based on a Lattice Boltzmann large eddy approach is presented. The ability of this scheme to capture the flow phenomena of the intake flow at different operating conditions is analysed. For the operational reliability and efficiency of pumps and pump systems, the incoming flow conditions are crucial. Since the efficiency and reliability requirements of pumps are rising and must be guaranteed, the flow conditions in pump intakes have to be evaluated during plant planning. Recent trends show that pump intakes are built more and more compact, which makes the flow in the intake even more complex. Numerical methods are a promising technique for conduction flow analysis in pump intakes, because they can be realised rapidly and cheaply

Self-consistent modelling of resonant tunnelling structures

DEFF Research Database (Denmark)

Fiig, T.; Jauho, A.P.

1992-01-01

We report a comprehensive study of the effects of self-consistency on the I-V-characteristics of resonant tunnelling structures. The calculational method is based on a simultaneous solution of the effective-mass Schrödinger equation and the Poisson equation, and the current is evaluated...... applied voltages and carrier densities at the emitter-barrier interface. We include the two-dimensional accumulation layer charge and the quantum well charge in our self-consistent scheme. We discuss the evaluation of the current contribution originating from the two-dimensional accumulation layer charges......, and our qualitative estimates seem consistent with recent experimental studies. The intrinsic bistability of resonant tunnelling diodes is analyzed within several different approximation schemes....

Mean-field theory of active electrolytes: Dynamic adsorption and overscreening

Science.gov (United States)

Frydel, Derek; Podgornik, Rudolf

2018-05-01

We investigate active electrolytes within the mean-field level of description. The focus is on how the double-layer structure of passive, thermalized charges is affected by active dynamics of constituting ions. One feature of active dynamics is that particles adhere to hard surfaces, regardless of chemical properties of a surface and specifically in complete absence of any chemisorption or physisorption. To carry out the mean-field analysis of the system that is out of equilibrium, we develop the "mean-field simulation" technique, where the simulated system consists of charged parallel sheets moving on a line and obeying active dynamics, with the interaction strength rescaled by the number of sheets. The mean-field limit becomes exact in the limit of an infinite number of movable sheets.

Mean field games

KAUST Repository

Gomes, Diogo A.

2014-01-06

In this talk we will report on new results concerning the existence of smooth solutions for time dependent mean-field games. This new result is established through a combination of various tools including several a-priori estimates for time-dependent mean-field games combined with new techniques for the regularity of Hamilton-Jacobi equations.

Mean field games

KAUST Repository

Gomes, Diogo A.

2014-01-01

In this talk we will report on new results concerning the existence of smooth solutions for time dependent mean-field games. This new result is established through a combination of various tools including several a-priori estimates for time-dependent mean-field games combined with new techniques for the regularity of Hamilton-Jacobi equations.

Calculation of the self-consistent current distribution and coupling of an RF antenna array

International Nuclear Information System (INIS)

Ballico, M.; Puri, S.

1993-10-01

A self-consistent calculation of the antenna current distribution and fields in an axisymmetric cylindrical geometry for the ICRH antenna-plasma coupling problem is presented. Several features distinguish this calculation from other codes presently available. 1. Variational form: The formulation of the self consistent antenna current problem in a variational form allows good convergence and stability of the algorithm. 2. Multiple straps: Allows modelling of (a) the current distribution across the width of the strap (by dividing it up into sub straps) (b) side limiters and septum (c) antenna cross-coupling. 3. Analytic calculation of the antenna field and calculation of the antenna self-consistent current distribution, (given the surface impedance matrix) gives rapid calculation. 4. Framed for parallel computation on several different parallel architectures (as well as serial) gives a large speed improvement to the user. Results are presented for both Alfven wave heating and current drive antenna arrays, showing the optimal coupling to be achieved for toroidal mode numbers 8< n<10 for typical ASDEX upgrade plasmas. Simulations of the ASDEX upgrade antenna show the importance of the current distribution across the antenna and of image currents flowing in the side limiters, and an analysis of a proposed asymmetric ITER antenna is presented. (orig.)

Low-frequency electromagnetic field in a Wigner crystal

OpenAIRE

Stupka, Anton

2016-01-01

Long-wave low-frequency oscillations are described in a Wigner crystal by generalization of the reverse continuum model for the case of electronic lattice. The internal self-consistent long-wave electromagnetic field is used to describe the collective motions in the system. The eigenvectors and eigenvalues of the obtained system of equations are derived. The velocities of longitudinal and transversal sound waves are found.

Self-dual cluster renormalization group approach for the square lattice Ising model specific heat and magnetization

International Nuclear Information System (INIS)

Martin, H.O.; Tsallis, C.

1981-01-01

A simple renormalization group approach based on self-dual clusters is proposed for two-dimensional nearest-neighbour 1/2 - spin Ising model on the square lattice; it reproduces the exact critical point. The internal energy and the specific heat for vanishing external magnetic field, spontaneous magnetization and the thermal (Y sub(T)) and magnetic (Y sub(H)) critical exponents are calculated. The results obtained from the first four smallest cluster sizes strongly suggest the convergence towards the exact values when the cluster sizes increases. Even for the smallest cluster, where the calculation is very simple, the results are quite accurate, particularly in the neighbourhood of the critical point. (Author) [pt

Mayer expansions for Euclidean lattice field theory: Convergence properties and relation with perturbation theory

International Nuclear Information System (INIS)

Pordt, A.

1985-10-01

The author describes the Mayer expansion in Euclidean lattice field theory by comparing it with the statistical mechanics of polymer systems. In this connection he discusses the Borel summability and the analyticity of the activities on the lattice. Furthermore the relations between renormalization and the Mayer expansion are considered. (HSI)

Self-consistent viscous heating of rapidly compressed turbulence

Science.gov (United States)

Campos, Alejandro; Morgan, Brandon

2017-11-01

Given turbulence subjected to infinitely rapid deformations, linear terms representing interactions between the mean flow and the turbulence dictate the evolution of the flow, whereas non-linear terms corresponding to turbulence-turbulence interactions are safely ignored. For rapidly deformed flows where the turbulence Reynolds number is not sufficiently large, viscous effects can't be neglected and tend to play a prominent role, as shown in the study of Davidovits & Fisch (2016). For such a case, the rapid increase of viscosity in a plasma-as compared to the weaker scaling of viscosity in a fluid-leads to the sudden viscous dissipation of turbulent kinetic energy. As shown in Davidovits & Fisch, increases in temperature caused by the direct compression of the plasma drive sufficiently large values of viscosity. We report on numerical simulations of turbulence where the increase in temperature is the result of both the direct compression (an inviscid mechanism) and the self-consistent viscous transfer of energy from the turbulent scales towards the thermal energy. A comparison between implicit large-eddy simulations against well-resolved direct numerical simulations is included to asses the effect of the numerical and subgrid-scale dissipation on the self-consistent viscous This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

High magnetic field magnetization of a new triangular lattice antiferromagnet

Energy Technology Data Exchange (ETDEWEB)

Zhou, H. D. [Univ. of Tennessee, Knoxville, TN (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States). National High Magnetic Field Lab. (MagLab); Stritzinger, Laurel Elaine Winter [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Harrison, Neil [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-03-23

In CsV(MoO₄)₂, the magnetic V³⁺ ions with octahedral oxygen-coordination form a geometrically frustrated triangular lattice. So fare, there is no magnetic properties reported on it. Recently, we successfully grew single crystals of CsV(MoO₄)₂ by using flux method. The susceptibility shows a sharp drop around 24 K, representing a long range magnetic ordering. To understand the physical properties of this new triangular lattice antiferromagnet (TLAF), we pursued high field magnetization measurements to answer two questions: (i) what is the saturation field, which will be very useful to calculate the exchange interaction of the system? (ii) Will it exhibit spin state transition, such as the up up down phase with 1/3-saturation moment as other TLAFs? Recently, we performed VSM measurements in Cell 8, Tallahassee, NHMFL, the results show that the magnetization reaches 0.38 MuB at 34 T, which is just 19% of the full moment of 2 MuB for V³⁺ (3d²) ions. Apparently we need higher field to reach 1/3 value or full moment.

Mean field theories and dual variation mathematical structures of the mesoscopic model

CERN Document Server

Suzuki, Takashi

2015-01-01

Mean field approximation has been adopted to describe macroscopic phenomena from microscopic overviews. It is still in progress; fluid mechanics, gauge theory, plasma physics, quantum chemistry, mathematical oncology, non-equilibirum thermodynamics.  spite of such a wide range of scientific areas that are concerned with the mean field theory, a unified study of its mathematical structure has not been discussed explicitly in the open literature.  The benefit of this point of view on nonlinear problems should have significant impact on future research, as will be seen from the underlying features of self-assembly or bottom-up self-organization which is to be illustrated in a unified way. The aim of this book is to formulate the variational and hierarchical aspects of the equations that arise in the mean field theory from macroscopic profiles to microscopic principles, from dynamics to equilibrium, and from biological models to models that arise from chemistry and physics.

Frustrated lattices of Ising chains

International Nuclear Information System (INIS)

Kudasov, Yurii B; Korshunov, Aleksei S; Pavlov, V N; Maslov, Dmitrii A

2012-01-01

The magnetic structure and magnetization dynamics of systems of plane frustrated Ising chain lattices are reviewed for three groups of compounds: Ca 3 Co 2 O 6 , CsCoCl 3 , and Sr 5 Rh 4 O 12 . The available experimental data are analyzed and compared in detail. It is shown that a high-temperature magnetic phase on a triangle lattice is normally and universally a partially disordered antiferromagnetic (PDA) structure. The diversity of low-temperature phases results from weak interactions that lift the degeneracy of a 2D antiferromagnetic Ising model on the triangle lattice. Mean-field models, Monte Carlo simulation results on the static magnetization curve, and results on slow magnetization dynamics obtained with Glauber's theory are discussed in detail. (reviews of topical problems)

The self-consistent dynamic pole tide in global oceans

Science.gov (United States)

Dickman, S. R.

1985-01-01

The dynamic pole tide is characterized in a self-consistent manner by means of introducing a single nondifferential matrix equation compatible with the Liouville equation, modelling the ocean as global and of uniform depth. The deviations of the theory from the realistic ocean, associated with the nonglobality of the latter, are also given consideration, with an inference that in realistic oceans long-period modes of resonances would be increasingly likely to exist. The analysis of the nature of the pole tide and its effects on the Chandler wobble indicate that departures of the pole tide from the equilibrium may indeed be minimal.

Mean field theory of dynamic phase transitions in ferromagnets

International Nuclear Information System (INIS)

Idigoras, O.; Vavassori, P.; Berger, A.

2012-01-01

We have studied the second order dynamic phase transition (DPT) of the two-dimensional kinetic Ising model by means of numerical calculations. While it is well established that the order parameter Q of the DPT is the average magnetization per external field oscillation cycle, the possible identity of the conjugate field has been addressed only recently. In this work, we demonstrate that our entire set of numerical data is fully consistent with the applied bias field H b being the conjugate field of order parameter Q. For this purpose, we have analyzed the Q(H b )-dependence and we have found that it follows the expected power law behavior with the same critical exponent as the mean field equilibrium case.

Local field corrections in the lattice dynamics of chromium | Ndukwe ...

African Journals Online (AJOL)

This work extends the inclusion of local field corrections in the calculation of the phonon dispersion curves to the transition metal, chromium (Cr3+) using the formalism of lattice dynamics based on the transition metal model potential approach in the adiabatic and hatmonic approximations. The results obtained here have a ...

Improvement of thermoelectric properties induced by uniquely ordered lattice field in Bi2Se0.5Te2.5 pillar array

International Nuclear Information System (INIS)

Tan, Ming; Hao, Yanming; Wang, Gangzhi

2014-01-01

In this study, it was found that uniquely ordered lattice field favors transport of carriers but hinder that of phonons. The n-Bi 2 Se 0.5 Te 2.5 pillar array film was successfully achieved by a simple ion beam assisted deposition technique. This oriented pillar array structure is clear with pillar diameter of about 30 nm, exhibiting a uniquely ordered lattice field. The properties of the ordered Bi 2 Se 0.5 Te 2.5 pillar array were greatly enhanced in comparison with those of the ordinary film. The Bi 2 Se 0.5 Te 2.5 pillar array with a thermoelectric dimensionless figure-of-merit ZT=1.28 was obtained at room temperature. The in-plane transport mechanisms of the ordered pillar array and the ordinary structures, lattice field model, are proposed and investigated. The specially ordered lattice field is the main reason for the properties enhancement observed in the Bi 2 Se 0.5 Te 2.5 film. Introduction of such ordered lattice field into TE films is therefore a very promising approach. - Graphical abstract: In this study, it was found that uniquely ordered lattice field favors transport of carriers but hinder that of phonons. The Bi 2 Se 0.5 Te 2.5 pillar array film with a thermoelectric dimensionless figure-of-merit ZT=1.28 was obtained at room temperature. The in-plane transport mechanisms of the ordered pillar array and the ordinary structures, the lattice field model, are proposed and investigated. The specially ordered lattice field is the main reason for the properties enhancement observed in the Bi 2 Se 0.5 Te 2.5 pillar array. Introduction of such uniquely ordered lattice field into TE films is therefore a very promising approach. In (a) TEM and (b) HRTEM images of the ordered Bi 2 Se 0.5 Te 2.5 column array. - Highlights: • Uniquely ordered Bi 2 Se 0.5 Te 2.5 pillar array was achieved by an IBAD method. • The pillar array with an ordered lattice field exhibits attractive TE property. • The transport mechanism of such ordered pillar array is proposed and

Landau Damping and Anomalous Skin Effect in Low-pressure Gas Discharges: Self-consistent Treatment of Collisionless Heating

International Nuclear Information System (INIS)

Kaganovich, Igor D.; Polomarov, Oleg V.; Theodosiou, Constantine E.

2004-01-01

In low-pressure discharges, where the electron mean free path is larger or comparable with the discharge length, the electron dynamics is essentially nonlocal. Moreover, the electron energy distribution function (EEDF) deviates considerably from a Maxwellian. Therefore, an accurate kinetic description of the low-pressure discharges requires knowledge of the nonlocal conductivity operator and calculation of the non-Maxwellian EEDF. The previous treatments made use of simplifying assumptions: a uniform density profile and a Maxwellian EEDF. In the present study a self-consistent system of equations for the kinetic description of nonlocal, nonuniform, nearly collisionless plasmas of low-pressure discharges is reported. It consists of the nonlocal conductivity operator and the averaged kinetic equation for calculation of the non-Maxwellian EEDF. This system was applied to the calculation of collisionless heating in capacitively and inductively coupled plasmas. In particular, the importance of accounting for the nonuniform plasma density profile for computing the current density profile and the EEDF is demonstrated. The enhancement of collisionless heating due to the bounce resonance between the electron motion in the potential well and the external radio-frequency electric field is investigated. It is shown that a nonlinear and self-consistent treatment is necessary for the correct description of collisionless heating

Lattice implementation of Abelian gauge theories with Chern-Simons number and an axion field

Science.gov (United States)

Figueroa, Daniel G.; Shaposhnikov, Mikhail

2018-01-01

Real time evolution of classical gauge fields is relevant for a number of applications in particle physics and cosmology, ranging from the early Universe to dynamics of quark-gluon plasma. We present an explicit non-compact lattice formulation of the interaction between a shift-symmetric field and some U (1) gauge sector, a (x)FμνF˜μν, reproducing the continuum limit to order O (dxμ2) and obeying the following properties: (i) the system is gauge invariant and (ii) shift symmetry is exact on the lattice. For this end we construct a definition of the topological number density K =FμνF˜μν that admits a lattice total derivative representation K = Δμ+ Kμ, reproducing to order O (dxμ2) the continuum expression K =∂μKμ ∝ E → ṡ B → . If we consider a homogeneous field a (x) = a (t), the system can be mapped into an Abelian gauge theory with Hamiltonian containing a Chern-Simons term for the gauge fields. This allow us to study in an accompanying paper the real time dynamics of fermion number non-conservation (or chirality breaking) in Abelian gauge theories at finite temperature. When a (x) = a (x → , t) is inhomogeneous, the set of lattice equations of motion do not admit however a simple explicit local solution (while preserving an O (dxμ2) accuracy). We discuss an iterative scheme allowing to overcome this difficulty.

Lattice implementation of Abelian gauge theories with Chern–Simons number and an axion field

Directory of Open Access Journals (Sweden)

Daniel G. Figueroa

2018-01-01

Full Text Available Real time evolution of classical gauge fields is relevant for a number of applications in particle physics and cosmology, ranging from the early Universe to dynamics of quark–gluon plasma. We present an explicit non-compact lattice formulation of the interaction between a shift-symmetric field and some U(1 gauge sector, a(xFμνF˜μν, reproducing the continuum limit to order O(dxμ2 and obeying the following properties: (i the system is gauge invariant and (ii shift symmetry is exact on the lattice. For this end we construct a definition of the topological number density K=FμνF˜μν that admits a lattice total derivative representation K=Δμ+Kμ, reproducing to order O(dxμ2 the continuum expression K=∂μKμ∝E→⋅B→. If we consider a homogeneous field a(x=a(t, the system can be mapped into an Abelian gauge theory with Hamiltonian containing a Chern–Simons term for the gauge fields. This allow us to study in an accompanying paper the real time dynamics of fermion number non-conservation (or chirality breaking in Abelian gauge theories at finite temperature. When a(x=a(x→,t is inhomogeneous, the set of lattice equations of motion do not admit however a simple explicit local solution (while preserving an O(dxμ2 accuracy. We discuss an iterative scheme allowing to overcome this difficulty.

Inhomogeneous atomic Bose-Fermi mixtures in cubic lattices

International Nuclear Information System (INIS)

Cramer, M.; Eisert, J.; Illuminati, F.

2004-01-01

We determine the ground state properties of inhomogeneous mixtures of bosons and fermions in cubic lattices and parabolic confining potentials. For finite hopping we determine the domain boundaries between Mott-insulator plateaux and hopping-dominated regions for lattices of arbitrary dimension within mean-field and perturbation theory. The results are compared with a new numerical method that is based on a Gutzwiller variational approach for the bosons and an exact treatment for the fermions. The findings can be applied as a guideline for future experiments with trapped atomic Bose-Fermi mixtures in optical lattices

Inhomogeneous atomic Bose-Fermi mixtures in cubic lattices.

Science.gov (United States)

Cramer, M; Eisert, J; Illuminati, F

2004-11-05

We determine the ground state properties of inhomogeneous mixtures of bosons and fermions in cubic lattices and parabolic confining potentials. For finite hopping we determine the domain boundaries between Mott-insulator plateaux and hopping-dominated regions for lattices of arbitrary dimension within mean-field and perturbation theory. The results are compared with a new numerical method that is based on a Gutzwiller variational approach for the bosons and an exact treatment for the fermions. The findings can be applied as a guideline for future experiments with trapped atomic Bose-Fermi mixtures in optical lattices.

Mean-field model for the interference of matter-waves from a three-dimensional optical trap

International Nuclear Information System (INIS)

Adhikari, Sadhan K.; Muruganandam, Paulsamy

2003-01-01

Using the mean-field time-dependent Gross-Pitaevskii equation we study the formation of a repulsive Bose-Einstein condensate on a combined optical and harmonic traps in two and three dimensions and subsequent generation of the interference pattern upon the removal of the combined traps as in the experiment by Greiner et al. [Nature (London) 415 (2002) 39]. For optical traps of moderate strength, interference pattern of 27 (9) prominent bright spots is found to be formed in three (two) dimensions on a cubic (square) lattice in agreement with experiment. Similar interference pattern can also be formed upon removal of the optical lattice trap only. The pattern so formed can oscillate for a long time in the harmonic trap which can be observed experimentally

Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory.

Science.gov (United States)

Liang, Yufeng; Vinson, John; Pemmaraju, Sri; Drisdell, Walter S; Shirley, Eric L; Prendergast, David

2017-03-03

Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can be rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.

Chiral effective field theory on the lattice at next-to-leading order

International Nuclear Information System (INIS)

Borasoy, B.; Epelbaum, E.; Krebs, H.; Meissner, U.G.; Lee, D.

2008-01-01

We study nucleon-nucleon scattering on the lattice at next-to-leading order in chiral effective field theory. We determine phase shifts and mixing angles from the properties of two-nucleon standing waves induced by a hard spherical wall in the center-of-mass frame. At fixed lattice spacing we test model independence of the low-energy effective theory by computing next-to-leading-order corrections for two different leading-order lattice actions. The first leading-order action includes instantaneous one-pion exchange and same-site contact interactions. The second leading-order action includes instantaneous one-pion exchange and Gaussian-smeared interactions. We find that in each case the results at next-to-leading order are accurate up to corrections expected at higher order. (orig.)

On the full exploitation of symmetry in periodic (as well as molecular) self-consistent-field ab initio calculations

Energy Technology Data Exchange (ETDEWEB)

Orlando, Roberto, E-mail: roberto.orlando@unito.it; Erba, Alessandro; Dovesi, Roberto [Dipartimento di Chimica, Università di Torino and NIS, Nanostructured Interfaces and Surfaces, Centre of Excellence, Via P. Giuria 7, 10125 Torino (Italy); De La Pierre, Marco [Dipartimento di Chimica, Università di Torino and NIS, Nanostructured Interfaces and Surfaces, Centre of Excellence, Via P. Giuria 7, 10125 Torino (Italy); Nanochemistry Research Institute, Department of Chemistry, Curtin University, GPO Box U1987, Perth, WA 6845 (Australia); Zicovich-Wilson, Claudio M. [Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Av. Universidad, 1001, Col. Chamilpa, 62209 Cuernavaca (Morelos) (Mexico)

2014-09-14

Use of symmetry can dramatically reduce the computational cost (running time and memory allocation) of self-consistent-field ab initio calculations for molecular and crystalline systems. Crucial for running time is symmetry exploitation in the evaluation of one- and two-electron integrals, diagonalization of the Fock matrix at selected points in reciprocal space, reconstruction of the density matrix. As regards memory allocation, full square matrices (overlap, Fock, and density) in the Atomic Orbital (AO) basis are avoided and a direct transformation from the packed AO to the symmetry adapted crystalline orbital basis is performed, so that the largest matrix to be handled has the size of the largest sub-block in the latter basis. Quantitative examples, referring to the implementation in the CRYSTAL code, are given for high symmetry families of compounds such as carbon fullerenes and nanotubes.

Liking for Evaluators: Consistency and Self-Esteem Theories

Science.gov (United States)

Regan, Judith Weiner

1976-01-01

Consistency and self-esteem theories make contrasting predictions about the relationship between a person's self-evaluation and his liking for an evaluator. Laboratory experiments confirmed predictions about these theories. (Editor/RK)

Directed nucleation assembly of DNA tile complexes for barcode-patterned lattices

Science.gov (United States)

Yan, Hao; Labean, Thomas H.; Feng, Liping; Reif, John H.

2003-07-01

The programmed self-assembly of patterned aperiodic molecular structures is a major challenge in nanotechnology and has numerous potential applications for nanofabrication of complex structures and useful devices. Here we report the construction of an aperiodic patterned DNA lattice (barcode lattice) by a self-assembly process of directed nucleation of DNA tiles around a scaffold DNA strand. The input DNA scaffold strand, constructed by ligation of shorter synthetic oligonucleotides, provides layers of the DNA lattice with barcode patterning information represented by the presence or absence of DNA hairpin loops protruding out of the lattice plane. Self-assembly of multiple DNA tiles around the scaffold strand was shown to result in a patterned lattice containing barcode information of 01101. We have also demonstrated the reprogramming of the system to another patterning. An inverted barcode pattern of 10010 was achieved by modifying the scaffold strands and one of the strands composing each tile. A ribbon lattice, consisting of repetitions of the barcode pattern with expected periodicity, was also constructed by the addition of sticky ends. The patterning of both classes of lattices was clearly observable via atomic force microscopy. These results represent a step toward implementation of a visual readout system capable of converting information encoded on a 1D DNA strand into a 2D form readable by advanced microscopic techniques. A functioning visual output method would not only increase the readout speed of DNA-based computers, but may also find use in other sequence identification techniques such as mutation or allele mapping.

Flow simulation of fiber reinforced self compacting concrete using Lattice Boltzmann method

DEFF Research Database (Denmark)

Svec, Oldrich; Skocek, Jan; Stang, Henrik

2011-01-01

Self compacting concrete (SCC) is a promising material in the civil engineering industry. One of the benefits of the SCC is a fast and simplified casting followed by decreased labor costs. The SCC as any other type of concrete has a significantly lower tensile and shear strength in comparison to ....... A relatively new group of models - Lattice Boltzmann Modeling (LBM) - is presented in this paper. The conventional LBM is modified to include fiber and particle suspensions and non-Newtonian rheology and is used to model the fiber reinforced self compacting concrete flow....

Local structure theory: calculation on hexagonal arrays, and interaction of rule and lattice

International Nuclear Information System (INIS)

Gutowitz, H.A.; Victor, J.D.

1989-01-01

Local structure theory calculations are applied to the study of cellular automata on the two-dimensional hexagonal lattice. A particular hexagonal lattice rule denoted (3422) is considered in detail. This rule has many features in common with Conway's Life. The local structure theory captures many of the statistical properties of this rule; this supports hypotheses raised by a study of Life itself. As in Life, the state of a cell under (3422) depends only on the state of the cell itself and the sum of states in its neighborhood at the previous time step. This property implies that evolution rules which operate in the same way can be studied on different lattices. The differences between the behavior of these rules on different lattices are dramatic. The mean field theory cannot reflect these differences. However, a generalization of the mean field theory, the local structure theory, does account for the rule-lattice interaction

Self-consistent Analysis of Three-dimensional Uniformly Charged Ellipsoid with Zero Emittance

International Nuclear Information System (INIS)

Batygin, Yuri K.

2001-01-01

A self-consistent treatment of a three-dimensional ellipsoid with negligible emittance in time-dependent external field is performed. Envelope equations describing the evolution of an ellipsoid boundary are discussed. For a complete model it is required that the initial particle momenta be a linear function of the coordinates. Numerical example and verification of the problem by a 3-dimensional particle-in-cell simulations are given

Two-particle irreducible effective actions versus resummation: Analytic properties and self-consistency

Directory of Open Access Journals (Sweden)

Michael Brown

2015-11-01

Full Text Available Approximations based on two-particle irreducible (2PI effective actions (also known as Φ-derivable, Cornwall–Jackiw–Tomboulis or Luttinger–Ward functionals depending on context have been widely used in condensed matter and non-equilibrium quantum/statistical field theory because this formalism gives a robust, self-consistent, non-perturbative and systematically improvable approach which avoids problems with secular time evolution. The strengths of 2PI approximations are often described in terms of a selective resummation of Feynman diagrams to infinite order. However, the Feynman diagram series is asymptotic and summation is at best a dangerous procedure. Here we show that, at least in the context of a toy model where exact results are available, the true strength of 2PI approximations derives from their self-consistency rather than any resummation. This self-consistency allows truncated 2PI approximations to capture the branch points of physical amplitudes where adjustments of coupling constants can trigger an instability of the vacuum. This, in effect, turns Dyson's argument for the failure of perturbation theory on its head. As a result we find that 2PI approximations perform better than Padé approximation and are competitive with Borel–Padé resummation. Finally, we introduce a hybrid 2PI–Padé method.

A new effective correlation mean-field theory for the ferromagnetic spin-1 Blume-Capel model in a transverse crystal field

Science.gov (United States)

Roberto Viana, J.; Rodriguez Salmon, Octavio D.; Neto, Minos A.; Carvalho, Diego C.

2018-02-01

A new approximation technique is developed so as to study the quantum ferromagnetic spin-1 Blume-Capel model in the presence of a transverse crystal field in the square lattice. Our proposal consists of approaching the spin system by considering islands of finite clusters whose frontiers are surrounded by noninteracting spins that are treated by the effective-field theory. The resulting phase diagram is qualitatively correct, in contrast to most effective-field treatments, in which the first-order line exhibits spurious behavior by not being perpendicular to the anisotropy axis at low-temperatures. The effect of the transverse anisotropy is also verified by the presence of quantum phase transitions. The possibility of using larger sizes constitutes an advantage to other approaches where the implementation of larger sizes is computationally costly.

Risk-sensitive mean-field games