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Sample records for mean-field theory

  1. Embedded mean-field theory.

    PubMed

    Fornace, Mark E; Lee, Joonho; Miyamoto, Kaito; Manby, Frederick R; Miller, Thomas F

    2015-02-10

    We introduce embedded mean-field theory (EMFT), an approach that flexibly allows for the embedding of one mean-field theory in another without the need to specify or fix the number of particles in each subsystem. EMFT is simple, is well-defined without recourse to parameters, and inherits the simple gradient theory of the parent mean-field theories. In this paper, we report extensive benchmarking of EMFT for the case where the subsystems are treated using different levels of Kohn-Sham theory, using PBE or B3LYP/6-31G* in the high-level subsystem and LDA/STO-3G in the low-level subsystem; we also investigate different levels of density fitting in the two subsystems. Over a wide range of chemical problems, we find EMFT to perform accurately and stably, smoothly converging to the high-level of theory as the active subsystem becomes larger. In most cases, the performance is at least as good as that of ONIOM, but the advantages of EMFT are highlighted by examples that involve partitions across multiple bonds or through aromatic systems and by examples that involve more complicated electronic structure. EMFT is simple and parameter free, and based on the tests provided here, it offers an appealing new approach to a multiscale electronic structure.

  2. Kinetic mean-field theories

    NASA Astrophysics Data System (ADS)

    Karkheck, John; Stell, George

    1981-08-01

    A kinetic mean-field theory for the evolution of the one-particle distribution function is derived from maximizing the entropy. For a potential with a hard-sphere core plus tail, the resulting theory treats the hard-core part as in the revised Enskog theory. The tail, weighted by the hard-sphere pair distribution function, appears linearly in a mean-field term. The kinetic equation is accompanied by an entropy functional for which an H theorem was proven earlier. The revised Enskog theory is obtained by setting the potential tail to zero, the Vlasov equation is obtained by setting the hard-sphere diameter to zero, and an equation of the Enskog-Vlasov type is obtained by effecting the Kac limit on the potential tail. At equilibrium, the theory yields a radial distribution function that is given by the hard-sphere reference system and thus furnishes through the internal energy a thermodynamic description which is exact to first order in inverse temperature. A second natural route to thermodynamics (from the momentum flux which yields an approximate equation of state) gives somewhat different results; both routes coincide and become exact in the Kac limit. Our theory furnishes a conceptual basis for the association in the heuristically based modified Enskog theory (MET) of the contact value of the radial distribution function with the ''thermal pressure'' since this association follows from our theory (using either route to thermodynamics) and moreover becomes exact in the Kac limit. Our transport theory is readily extended to the general case of a soft repulsive core, e.g., as exhibited by the Lennard-Jones potential, via by-now-standard statistical-mechanical methods involving an effective hard-core potential, thus providing a self-contained statistical-mechanical basis for application to such potentials that is lacking in the standard versions of the MET. We obtain very good agreement with experiment for the thermal conductivity and shear viscosity of several

  3. Mean-field kinetic nucleation theory

    NASA Astrophysics Data System (ADS)

    Kalikmanov, V. I.

    2006-03-01

    A new semiphenomenological model of homogeneous vapor-liquid nucleation is proposed in which the cluster kinetics follows the "kinetic approach to nucleation" and the thermodynamic part is based on the revised Fisher droplet model with the mean-field argument for the cluster configuration integral. The theory is nonperturbative in a cluster size and as such is valid for all clusters down to monomers. It contains two surface tensions: macroscopic (planar) and microscopic. The latter is a temperature dependent quantity related to the vapor compressibility factor at saturation. For Lennard-Jones fluids the microscopic surface tension possesses a universal behavior with the parameters found from the mean-field density functional calculations. The theory is verified against nucleation experiments for argon, nitrogen, water, and mercury, demonstrating very good agreement with experimental data. Classical nucleation theory fails to predict experimental results when a critical cluster becomes small.

  4. Beyond mean field theory: statistical field theory for neural networks

    PubMed Central

    Buice, Michael A; Chow, Carson C

    2014-01-01

    Mean field theories have been a stalwart for studying the dynamics of networks of coupled neurons. They are convenient because they are relatively simple and possible to analyze. However, classical mean field theory neglects the effects of fluctuations and correlations due to single neuron effects. Here, we consider various possible approaches for going beyond mean field theory and incorporating correlation effects. Statistical field theory methods, in particular the Doi–Peliti–Janssen formalism, are particularly useful in this regard. PMID:25243014

  5. Machine Learning for Dynamical Mean Field Theory

    NASA Astrophysics Data System (ADS)

    Arsenault, Louis-Francois; Lopez-Bezanilla, Alejandro; von Lilienfeld, O. Anatole; Littlewood, P. B.; Millis, Andy

    2014-03-01

    Machine Learning (ML), an approach that infers new results from accumulated knowledge, is in use for a variety of tasks ranging from face and voice recognition to internet searching and has recently been gaining increasing importance in chemistry and physics. In this talk, we investigate the possibility of using ML to solve the equations of dynamical mean field theory which otherwise requires the (numerically very expensive) solution of a quantum impurity model. Our ML scheme requires the relation between two functions: the hybridization function describing the bare (local) electronic structure of a material and the self-energy describing the many body physics. We discuss the parameterization of the two functions for the exact diagonalization solver and present examples, beginning with the Anderson Impurity model with a fixed bath density of states, demonstrating the advantages and the pitfalls of the method. DOE contract DE-AC02-06CH11357.

  6. Mean Field Theories of Icosahedral Quasicrystals.

    NASA Astrophysics Data System (ADS)

    Troian, Sandra Marina

    studied. We also rederive and generalize a model free energy presented by Kalugin et al. to show that their original conclusion of a metastable quasicrystal is invalidated by the inclusion of a local quartic term in the free energy. Lastly, we review three other mean field theories recently proposed to explain the existence of quasicrystals.

  7. Dynamical mean-field theory from a quantum chemical perspective.

    PubMed

    Zgid, Dominika; Chan, Garnet Kin-Lic

    2011-03-07

    We investigate the dynamical mean-field theory (DMFT) from a quantum chemical perspective. Dynamical mean-field theory offers a formalism to extend quantum chemical methods for finite systems to infinite periodic problems within a local correlation approximation. In addition, quantum chemical techniques can be used to construct new ab initio Hamiltonians and impurity solvers for DMFT. Here, we explore some ways in which these things may be achieved. First, we present an informal overview of dynamical mean-field theory to connect to quantum chemical language. Next, we describe an implementation of dynamical mean-field theory where we start from an ab initio Hartree-Fock Hamiltonian that avoids double counting issues present in many applications of DMFT. We then explore the use of the configuration interaction hierarchy in DMFT as an approximate solver for the impurity problem. We also investigate some numerical issues of convergence within DMFT. Our studies are carried out in the context of the cubic hydrogen model, a simple but challenging test for correlation methods. Finally, we finish with some conclusions for future directions.

  8. Mean-field theory of echo state networks

    NASA Astrophysics Data System (ADS)

    Massar, Marc; Massar, Serge

    2013-04-01

    Dynamical systems driven by strong external signals are ubiquitous in nature and engineering. Here we study “echo state networks,” networks of a large number of randomly connected nodes, which represent a simple model of a neural network, and have important applications in machine learning. We develop a mean-field theory of echo state networks. The dynamics of the network is captured by the evolution law, similar to a logistic map, for a single collective variable. When the network is driven by many independent external signals, this collective variable reaches a steady state. But when the network is driven by a single external signal, the collective variable is non stationary but can be characterized by its time averaged distribution. The predictions of the mean-field theory, including the value of the largest Lyapunov exponent, are compared with the numerical integration of the equations of motion.

  9. Dynamical mean-field theory for flat-band ferromagnetism

    NASA Astrophysics Data System (ADS)

    Nguyen, Hong-Son; Tran, Minh-Tien

    2016-09-01

    The magnetically ordered phase in the Hubbard model on the infinite-dimensional hyper-perovskite lattice is investigated within dynamical mean-field theory. It turns out for the infinite-dimensional hyper-perovskite lattice the self-consistent equations of dynamical mean-field theory are exactly solved, and this makes the Hubbard model exactly solvable. We find electron spins are aligned in the ferromagnetic or ferrimagnetic configuration at zero temperature and half filling of the edge-centered sites of the hyper-perovskite lattice. A ferromagnetic-ferrimagnetic phase transition driven by the energy level splitting is found and it occurs through a phase separation. The origin of ferromagnetism and ferrimagnetism arises from the band flatness and the virtual hybridization between macroscopically degenerate flat bands and dispersive ones. Based on the exact solution in the infinite-dimensional limit, a modified exact diagonalization as the impurity solver for dynamical mean-field theory on finite-dimensional perovskite lattices is also proposed and examined.

  10. New dynamical mean-field dynamo theory and closure approach.

    PubMed

    Blackman, Eric G; Field, George B

    2002-12-23

    We develop a new nonlinear mean field dynamo theory that couples field growth to the time evolution of the magnetic helicity and the turbulent electromotive force, E. We show that the difference between kinetic and current helicities emerges naturally as the growth driver when the time derivative of E is coupled into the theory. The solutions predict significant field growth in a kinematic phase and a saturation rate/strength that is magnetic Reynolds number dependent/independent in agreement with numerical simulations. The amplitude of early time oscillations provides a diagnostic for the closure.

  11. Advanced mean-field theory of the restricted Boltzmann machine

    NASA Astrophysics Data System (ADS)

    Huang, Haiping; Toyoizumi, Taro

    2015-05-01

    Learning in restricted Boltzmann machine is typically hard due to the computation of gradients of log-likelihood function. To describe the network state statistics of the restricted Boltzmann machine, we develop an advanced mean-field theory based on the Bethe approximation. Our theory provides an efficient message-passing-based method that evaluates not only the partition function (free energy) but also its gradients without requiring statistical sampling. The results are compared with those obtained by the computationally expensive sampling-based method.

  12. Mean field theory studies of surface reactions on disordered substrates

    NASA Astrophysics Data System (ADS)

    Cortés, Joaquín.; Narváez, Ana; Puschmann, Heinrich; Valencia, Eliana

    2003-03-01

    A mean field theory (MFT) in the site and pair approximations of a surface reaction system on a disordered substrate showing geometric heterogeneity is proposed, characterizing the substrate completely through the set { qi} of probabilities that a surface site has i neighbours that belong to the substrate in the model. The MFT results allow the interpretation of the Monte Carlo (MC) simulations carried out for the ZGB algorithm at instantaneous and finite rates over a series heterogeneous substrates corresponding to percolation clusters. The change in the character of the irreversible phase transitions (IPT) with the degree of disorder or branching of the substrate and its theoretical interpretation are analyzed.

  13. The effectiveness of mean-field theory for avalanche distributions

    NASA Astrophysics Data System (ADS)

    Lee, Edward; Raju, Archishman; Sethna, James

    We explore the mean-field theory of the pseudogap found in avalanche systems with long-range anisotropic interactions using analytical and numerical tools. The pseudogap in the density of low-stability states emerges from the competition between stabilizing interactions between spins in an avalanche and the destabilizing random movement towards the threshold caused by anisotropic couplings. Pazmandi et al. have shown that for the Sherrington-Kirkpatrick model, the pseudogap scales linearly and produces a distribution of avalanche sizes with exponent t=1 in contrast with that predicted from RFIM t=3/2. Lin et al. have argued that the scaling exponent ? of the pseudogap depends on the tail of the distribution of couplings and on non-universal values like the strain rate and the magnitude of the coupling strength. Yet others have argued that the relationship between the pseudogap scaling and the distribution of avalanche sizes is dependent on dynamical details. Despite the theoretical arguments, the class of RFIM mean-field models is surprisingly good at predicting the distribution of avalanche sizes in a variety of different magnetic systems. We investigate these differences with a combination of theory and simulation.

  14. Mean field theory for U(n) dynamical groups

    NASA Astrophysics Data System (ADS)

    Rosensteel, G.

    2011-04-01

    Algebraic mean field theory (AMFT) is a many-body physics modeling tool which firstly, is a generalization of Hartree-Fock mean field theory, and secondly, an application of the orbit method from Lie representation theory. The AMFT ansatz is that the physical system enjoys a dynamical group, which may be either a strong or a weak dynamical Lie group G. When G is a strong dynamical group, the quantum states are, by definition, vectors in one irreducible unitary representation (irrep) space, and AMFT is equivalent to the Kirillov orbit method for deducing properties of a representation from a direct geometrical analysis of the associated integral co-adjoint orbit. AMFT can be the only tractable method for analyzing some complex many-body systems when the dimension of the irrep space of the strong dynamical group is very large or infinite. When G is a weak dynamical group, the quantum states are not vectors in one irrep space, but AMFT applies if the densities of the states lie on one non-integral co-adjoint orbit. The computational simplicity of AMFT is the same for both strong and weak dynamical groups. This paper formulates AMFT explicitly for unitary Lie algebras, and applies the general method to the Lipkin-Meshkov-Glick {\\mathfrak s}{\\mathfrak u} (2) model and the Elliott {\\mathfrak s}{\\mathfrak u} (3) model. When the energy in the {\\mathfrak s}{\\mathfrak u} (3) theory is a rotational scalar function, Marsden-Weinstein reduction simplifies AMFT dynamics to a two-dimensional phase space.

  15. Mean-field theory of assortative networks of phase oscillators

    NASA Astrophysics Data System (ADS)

    Restrepo, Juan G.; Ott, Edward

    2014-09-01

    Employing the Kuramoto model as an illustrative example, we show how the use of the mean-field approximation can be applied to large networks of phase oscillators with assortativity. We then use the ansatz of Ott and Antonsen (Chaos, 19 (2008) 037113) to reduce the mean-field kinetic equations to a system of ordinary differential equations. The resulting formulation is illustrated by application to a network Kuramoto problem with degree assortativity and correlation between the node degrees and the natural oscillation frequencies. Good agreement is found between the solutions of the reduced set of ordinary differential equations obtained from our theory and full simulations of the system. These results highlight the ability of our method to capture all the phase transitions (bifurcations) and system attractors. One interesting result is that degree assortativity can induce transitions from a steady macroscopic state to a temporally oscillating macroscopic state through both (presumed) Hopf and SNIPER (saddle-node, infinite period) bifurcations. Possible use of these techniques to a broad class of phase oscillator network problems is discussed.

  16. More is the Same; Phase Transitions and Mean Field Theories

    NASA Astrophysics Data System (ADS)

    Kadanoff, Leo P.

    2009-12-01

    This paper is the first in a series that will look at the theory of phase transitions from the perspectives of physics and the philosophy of science. The series will consider a group of related concepts derived from condensed matter and statistical physics. The key technical ideas go under the names of "singularity", "order parameter", "mean field theory", "variational method", "correlation length", "universality class", "scale changes", and "renormalization". The first four of these will be considered here. In a less technical vein, the question here is how can matter, ordinary matter, support a diversity of forms. We see this diversity each time we observe ice in contact with liquid water or see water vapor (steam) come up from a pot of heated water. Different phases can be qualitatively different in that walking on ice is well within human capacity, but walking on liquid water is proverbially forbidden to ordinary humans. These differences have been apparent to humankind for millennia, but only brought within the domain of scientific understanding since the 1880s. A phase transition is a change from one behavior to another. A first order phase transition involves a discontinuous jump in some statistical variable. The discontinuous property is called the order parameter. Each phase transition has its own order parameter. The possible order parameters range over a tremendous variety of physical properties. These properties include the density of a liquid-gas transition, the magnetization in a ferromagnet, the size of a connected cluster in a percolation transition, and a condensate wave function in a superfluid or superconductor. A continuous transition occurs when the discontinuity in the jump approaches zero. This article is about statistical mechanics and the development of mean field theory as a basis for a partial understanding of phase transition phenomena. Much of the material in this review was first prepared for the Royal Netherlands Academy of Arts and

  17. Multiagent model and mean field theory of complex auction dynamics

    NASA Astrophysics Data System (ADS)

    Chen, Qinghua; Huang, Zi-Gang; Wang, Yougui; Lai, Ying-Cheng

    2015-09-01

    Recent years have witnessed a growing interest in analyzing a variety of socio-economic phenomena using methods from statistical and nonlinear physics. We study a class of complex systems arising from economics, the lowest unique bid auction (LUBA) systems, which is a recently emerged class of online auction game systems. Through analyzing large, empirical data sets of LUBA, we identify a general feature of the bid price distribution: an inverted J-shaped function with exponential decay in the large bid price region. To account for the distribution, we propose a multi-agent model in which each agent bids stochastically in the field of winner’s attractiveness, and develop a theoretical framework to obtain analytic solutions of the model based on mean field analysis. The theory produces bid-price distributions that are in excellent agreement with those from the real data. Our model and theory capture the essential features of human behaviors in the competitive environment as exemplified by LUBA, and may provide significant quantitative insights into complex socio-economic phenomena.

  18. Mean-field theory of meta-learning

    NASA Astrophysics Data System (ADS)

    Plewczynski, Dariusz

    2009-11-01

    We discuss here the mean-field theory for a cellular automata model of meta-learning. Meta-learning is the process of combining outcomes of individual learning procedures in order to determine the final decision with higher accuracy than any single learning method. Our method is constructed from an ensemble of interacting, learning agents that acquire and process incoming information using various types, or different versions, of machine learning algorithms. The abstract learning space, where all agents are located, is constructed here using a fully connected model that couples all agents with random strength values. The cellular automata network simulates the higher level integration of information acquired from the independent learning trials. The final classification of incoming input data is therefore defined as the stationary state of the meta-learning system using simple majority rule, yet the minority clusters that share the opposite classification outcome can be observed in the system. Therefore, the probability of selecting a proper class for a given input data, can be estimated even without the prior knowledge of its affiliation. The fuzzy logic can be easily introduced into the system, even if learning agents are built from simple binary classification machine learning algorithms by calculating the percentage of agreeing agents.

  19. Hot and dense matter beyond relativistic mean field theory

    NASA Astrophysics Data System (ADS)

    Zhang, Xilin; Prakash, Madappa

    2016-05-01

    Properties of hot and dense matter are calculated in the framework of quantum hadrodynamics by including contributions from two-loop (TL) diagrams arising from the exchange of isoscalar and isovector mesons between nucleons. Our extension of mean field theory (MFT) employs the same five density-independent coupling strengths which are calibrated using the empirical properties at the equilibrium density of isospin-symmetric matter. Results of calculations from the MFT and TL approximations are compared for conditions of density, temperature, and proton fraction encountered in the study of core-collapse supernovae, young and old neutron stars, and mergers of compact binary stars. The TL results for the equation of state (EOS) of cold pure neutron matter at sub- and near-nuclear densities agree well with those of modern quantum Monte Carlo and effective field-theoretical approaches. Although the high-density EOS in the TL approximation for cold and β -equilibrated neutron-star matter is substantially softer than its MFT counterpart, it is able to support a 2 M⊙ neutron star required by recent precise determinations. In addition, radii of 1.4 M⊙ stars are smaller by ˜1 km than those obtained in MFT and lie in the range indicated by analysis of astronomical data. In contrast to MFT, the TL results also give a better account of the single-particle or optical potentials extracted from analyses of medium-energy proton-nucleus and heavy-ion experiments. In degenerate conditions, the thermal variables are well reproduced by results of Landau's Fermi-liquid theory in which density-dependent effective masses feature prominently. The ratio of the thermal components of pressure and energy density expressed as Γth=1 +(Pth/ɛth) , often used in astrophysical simulations, exhibits a stronger dependence on density than on proton fraction and temperature in both MFT and TL calculations. The prominent peak of Γth at supranuclear density found in MFT is, however, suppressed in

  20. Dynamical mean-field theory for quantum chemistry.

    PubMed

    Lin, Nan; Marianetti, C A; Millis, Andrew J; Reichman, David R

    2011-03-04

    The dynamical mean-field concept of approximating an unsolvable many-body problem in terms of the solution of an auxiliary quantum impurity problem, introduced to study bulk materials with a continuous energy spectrum, is here extended to molecules, i.e., finite systems with a discrete energy spectrum. The application to small clusters of hydrogen atoms yields ground state energies which are competitive with leading quantum chemical approaches at intermediate and large interatomic distances as well as good approximations to the excitation spectrum.

  1. Small-world network spectra in mean-field theory.

    PubMed

    Grabow, Carsten; Grosskinsky, Stefan; Timme, Marc

    2012-05-25

    Collective dynamics on small-world networks emerge in a broad range of systems with their spectra characterizing fundamental asymptotic features. Here we derive analytic mean-field predictions for the spectra of small-world models that systematically interpolate between regular and random topologies by varying their randomness. These theoretical predictions agree well with the actual spectra (obtained by numerical diagonalization) for undirected and directed networks and from fully regular to strongly random topologies. These results may provide analytical insights to empirically found features of dynamics on small-world networks from various research fields, including biology, physics, engineering, and social science.

  2. Density Functional Plus Dynamical Mean Field Theory of Correlated Oxides

    NASA Astrophysics Data System (ADS)

    Millis, Andrew

    2015-03-01

    The density functional plus dynamical mean field method is outlined and a few recent successes including applications to spin crossover molecules, oxide superlattices and metal-insulator transitions in bulk transition metals are outlined. Insights from the method into the essential role played by lattice distortions (both rotations and bond length changes) in determining the phase diagrams of correlated materials are presented. The key theoretical issue of the double counting correction is outlined, different approaches are compared, and a connection to the energy level differences between strongly and weakly correlated orbitals is presented. Charge transfer across oxide interfaces shown to depend crucially on the double counting correction, suggesting that experiments on oxide superlattices may provide insights into this important problem. Future directions are discussed. This work is performed in collaboration with Jia Chen, Hung Dang, Hyowon Park and Chris Marianetti. This research supported by the DOE Office of Science, Grant ER 046169.

  3. Comparisons and connections between mean field dynamo theory and accretion disc theory

    NASA Astrophysics Data System (ADS)

    Blackman, E. G.

    2010-01-01

    The origin of large scale magnetic fields in astrophysical rotators, and the conversion of gravitational energy into radiation near stars and compact objects via accretion have been subjects of active research for a half century. Magnetohydrodynamic turbulence makes both problems highly nonlinear, so both subjects have benefitted from numerical simulations.However, understanding the key principles and practical modeling of observations warrants testable semi-analytic mean field theories that distill the essential physics. Mean field dynamo (MFD) theory and alpha-viscosity accretion disc theory exemplify this pursuit. That the latter is a mean field theory is not always made explicit but the combination of turbulence and global symmetry imply such. The more commonly explicit presentation of assumptions in 20th century textbook MFDT has exposed it to arguably more widespread criticism than incurred by 20th century alpha-accretion theory despite complementary weaknesses. In the 21st century however, MFDT has experienced a breakthrough with a dynamical saturation theory that consistently agrees with simulations. Such has not yet occurred in accretion disc theory, though progress is emerging. Ironically however, for accretion engines, MFDT and accretion theory are presently two artificially uncoupled pieces of what should be a single coupled theory. Large scale fields and accretion flows are dynamically intertwined because large scale fields likely play a key role in angular momentum transport. I discuss and synthesize aspects of recent progress in MFDT and accretion disc theory to suggest why the two likely conspire in a unified theory.

  4. Zero-Temperature, Mean-Field Theory of Atomic Bose-Einstein Condensates

    PubMed Central

    Edwards, Mark; Dodd, R. J.; Clark, Charles W.; Burnett, K.

    1996-01-01

    We review the application of zero-temperature, mean-field theory to current experimental atomic Bose-Einstein condensates. We assess the validity of the approximations made by comparing the mean-field results with a variety of experimental data. PMID:27805108

  5. Mean-field theory for Bose-Hubbard model under a magnetic field

    SciTech Connect

    Oktel, M. Oe.; Tanatar, B.; Nita, M.

    2007-01-15

    We consider the superfluid-insulator transition for cold bosons under an effective magnetic field. We investigate how the applied magnetic field affects the Mott transition within mean-field theory and find that the critical hopping strength (t/U){sub c} increases with the applied field. The increase in the critical hopping follows the bandwidth of the Hofstadter butterfly at the given value of the magnetic field. We also calculate the magnetization and superfluid density within mean-field theory.

  6. Towards a quasi-periodic mean field theory for globally coupled oscillators

    NASA Astrophysics Data System (ADS)

    Banaji, Murad; Glendinning, Paul

    1999-02-01

    We show how a quasi-periodic mean field theory may be used to understand the chaotic dynamics and geometry of globally coupled complex Ginzburg-Landau equations. The Poincaré map of the mean field equations appears to have saddlenode-homoclinic bifurcations leading to chaotic motion, and the attractor has the characteristic ρ shape identified by numerical experiments on the full equations.

  7. Mean-field theory of spin-glasses with finite coordination number

    NASA Technical Reports Server (NTRS)

    Kanter, I.; Sompolinsky, H.

    1987-01-01

    The mean-field theory of dilute spin-glasses is studied in the limit where the average coordination number is finite. The zero-temperature phase diagram is calculated and the relationship between the spin-glass phase and the percolation transition is discussed. The present formalism is applicable also to graph optimization problems.

  8. Numerical Simulations, Mean Field Theory and Modulational Stability Analysis of Thermohaline Intrusions

    DTIC Science & Technology

    2011-09-01

    the temporal and spatial variability of the ocean circulation (Schmitt, 2003). This signifies that these thermohaline intrusions cannot be ignored...still calculating the net effects of double diffusion via crude parameterizations, the study showed that the thermohaline circulations in the model...SIMULATIONS, MEAN FIELD THEORY AND MODULATIONAL STABLITY ANALYSIS OF THERMOHALINE INTRUSIONS by Mark A. Hebert September 2011 Thesis Advisor

  9. Renormalized parameters and perturbation theory in dynamical mean-field theory for the Hubbard model

    NASA Astrophysics Data System (ADS)

    Hewson, A. C.

    2016-11-01

    We calculate the renormalized parameters for the quasiparticles and their interactions for the Hubbard model in the paramagnetic phase as deduced from the low-energy Fermi-liquid fixed point using the results of a numerical renormalization-group calculation (NRG) and dynamical mean-field theory (DMFT). Even in the low-density limit there is significant renormalization of the local quasiparticle interaction U ˜, in agreement with estimates based on the two-particle scattering theory of J. Kanamori [Prog. Theor. Phys. 30, 275 (1963), 10.1143/PTP.30.275]. On the approach to the Mott transition we find a finite ratio for U ˜/D ˜ , where 2 D ˜ is the renormalized bandwidth, which is independent of whether the transition is approached by increasing the on-site interaction U or on increasing the density to half filling. The leading ω2 term in the self-energy and the local dynamical spin and charge susceptibilities are calculated within the renormalized perturbation theory (RPT) and compared with the results calculated directly from the NRG-DMFT. We also suggest, more generally from the DMFT, how an approximate expression for the q ,ω spin susceptibility χ (q ,ω ) can be derived from repeated quasiparticle scattering with a local renormalized scattering vertex.

  10. Constrained-pairing mean-field theory. V. Triplet pairing formalism.

    PubMed

    Ellis, Jason K; Jiménez-Hoyos, Carlos A; Henderson, Thomas M; Tsuchimochi, Takashi; Scuseria, Gustavo E

    2011-07-21

    Describing strong (also known as static) correlation caused by degenerate or nearly degenerate orbitals near the Fermi level remains a theoretical challenge, particularly in molecular systems. Constrained-pairing mean-field theory has been quite successful, capturing the effects of static correlation in bond formation and breaking in closed-shell molecular systems by using singlet electron entanglement to model static correlation at mean-field computational cost. This work extends the previous formalism to include triplet pairing. Additionally, a spin orbital extension of the "odd-electron" formalism is presented as a method for understanding electron entanglement in molecules.

  11. Numerical calculations in the new framework of the RMF theory with π mean field

    NASA Astrophysics Data System (ADS)

    Sugimoto, S.; Toki, H.; Ikeda, K.

    2001-10-01

    Usually, π meson field is not included in the Relativistic Mean Field(RMF) Theory. Because π meson has pseudo scalar nature, it is not exchanged by single particle orbits under the mean field approximation as far as the parity and charge symmetries hold. It is, however, desirable to revise the RMF theory to include the π meson field because it plays a essentially important role in producing many aspects of nuclear structures. As mentioned before, π meson field dose not contribute to the mean field under the mean field approximation. To make π meson free from this restriction it is necessary to break the parity and charge symmetries of single particle orbits. It means that single particle orbits have not good parity quantum numbers and good charge quantum numbers. They are mixed states of parities and charge states. In this way we incorporate π meson field into the RMF theory on the same footing as other mesons which are usually used in the RMF calculations, for example σ, ω etc. Present study in this new framework is performed for N=Z nuclei in medium heavy region, for example, ^40Ca, ^56Ni, ^80Zr, and ^100Sn. We found that the π meson field has finite expectation value. It contributes to the total energies of those nuclei in the non-negligible way. In this talk we report the formulation and the results. We also mention our plan for the parity and charge projection.

  12. Mean-field theory of atomic self-organization in optical cavities

    NASA Astrophysics Data System (ADS)

    Jäger, Simon B.; Schütz, Stefan; Morigi, Giovanna

    2016-08-01

    Photons mediate long-range optomechanical forces between atoms in high-finesse resonators, which can induce the formation of ordered spatial patterns. When a transverse laser drives the atoms, the system undergoes a second-order phase transition that separates a uniform spatial density from a Bragg grating maximizing scattering into the cavity and is controlled by the laser intensity. Starting from a Fokker-Planck equation describing the semiclassical dynamics of the N -atom distribution function, we systematically develop a mean-field model and analyze its predictions for the equilibrium and out-of-equilibrium dynamics. The validity of the mean-field model is tested by comparison with the numerical simulations of the N -body Fokker-Planck equation and by means of a Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy. The mean-field theory predictions well reproduce several results of the N -body Fokker-Planck equation for sufficiently short times and are in good agreement with existing theoretical approaches based on field-theoretical models. The mean field, on the other hand, predicts thermalization time scales which are at least one order of magnitude shorter than the ones predicted by the N -body dynamics. We attribute this discrepancy to the fact that the mean-field ansatz discards the effects of the long-range incoherent forces due to cavity losses.

  13. Statistical thermodynamics of protein folding: Comparison of a mean-field theory with Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Hao, Ming-Hong; Scheraga, Harold A.

    1995-01-01

    A comparative study of protein folding with an analytical theory and computer simulations, respectively, is reported. The theory is based on an improved mean-field formalism which, in addition to the usual mean-field approximations, takes into account the distributions of energies in the subsets of conformational states. Sequence-specific properties of proteins are parametrized in the theory by two sets of variables, one for the energetics of mean-field interactions and one for the distribution of energies. Simulations are carried out on model polypeptides with different sequences, with different chain lengths, and with different interaction potentials, ranging from strong biases towards certain local chain states (bond angles and torsional angles) to complete absence of local conformational preferences. Theoretical analysis of the simulation results for the model polypeptides reveals three different types of behavior in the folding transition from the statistical coiled state to the compact globular state; these include a cooperative two-state transition, a continuous folding, and a glasslike transition. It is found that, with the fitted theoretical parameters which are specific for each polypeptide under a different potential, the mean-field theory can describe the thermodynamic properties and folding behavior of the different polypeptides accurately. By comparing the theoretical descriptions with simulation results, we verify the basic assumptions of the theory and, thereby, obtain new insights about the folding transitions of proteins. It is found that the cooperativity of the first-order folding transition of the model polypeptides is determined mainly by long-range interactions, in particular the dipolar orientation; the local interactions (e.g., bond-angle and torsion-angle potentials) have only marginal effect on the cooperative characteristic of the folding, but have a large impact on the difference in energy between the folded lowest-energy structure and

  14. Mean field theory of the linear sigma-model: Chiral solitons

    NASA Astrophysics Data System (ADS)

    Kahana, S.; Ripka, G.

    The mean field theory of the chiral invariant sigma-model is outlined. Bound states (solitons) of valence quarks are obtained self-consistently using a hedgehog shape for the pion field. A schematic model for the coupled fermion-boson fields is presented. Renormalization is worked out for the fermion one-loop corrections and numerical results presented for the purely scalar-field case. The interpretation of the baryon number of the perturbed vacuum is considered.

  15. Mean field theory of the linear sigma-model: chiral solitons

    SciTech Connect

    Kahana, S.; Ripka, G.

    1983-01-01

    The mean field theory of the chiral invariant sigma-model is outlined. bound states (solitons) of valence quarks are obtained self-consistently using a hedgehog shape for the pion field. A schematic model for the coupled fermion-boson fields is presented. Renormalization is worked out for the fermion one-loop corrections and numerical results presented for the purely scalar-field case. The interpretation of the baryon number of the perturbed vacuum is considered.

  16. Model-independent mean-field theory as a local method for approximate propagation of information.

    PubMed

    Haft, M; Hofmann, R; Tresp, V

    1999-02-01

    We present a systematic approach to mean-field theory (MFT) in a general probabilistic setting without assuming a particular model. The mean-field equations derived here may serve as a local, and thus very simple, method for approximate inference in probabilistic models such as Boltzmann machines or Bayesian networks. Our approach is 'model-independent' in the sense that we do not assume a particular type of dependences; in a Bayesian network, for example, we allow arbitrary tables to specify conditional dependences. In general, there are multiple solutions to the mean-field equations. We show that improved estimates can be obtained by forming a weighted mixture of the multiple mean-field solutions. Simple approximate expressions for the mixture weights are given. The general formalism derived so far is evaluated for the special case of Bayesian networks. The benefits of taking into account multiple solutions are demonstrated by using MFT for inference in a small and in a very large Bayesian network. The results are compared with the exact results.

  17. Self-consistent slave rotor mean-field theory for strongly correlated systems

    NASA Astrophysics Data System (ADS)

    Zhao, E.; Paramekanti, A.

    2007-11-01

    Building on the work by Florens and Georges [Phys. Rev. B 70, 035114 (2004)], we formulate and study a self-consistent slave rotor mean-field theory for strongly correlated systems. This approach views the electron, in the strong correlation regime, as a composite of a neutral spinon and a charged rotor field. We solve the coupled spinon-rotor model self-consistently using a cluster mean-field theory for the rotors and various Ansätze for the spinon ground state. We illustrate this approach with a number of examples relevant to ongoing experiments in strongly correlated electronic systems such as (i) the phase diagram of the isotropic triangular lattice organic Mott insulators, (ii) quasiparticle excitations and tunneling asymmetry in the weakly doped cuprate superconductors, and (iii) the cyclotron mass of carriers in commensurate spin-density wave and U(1) staggered flux (or d -density wave) normal states of the underdoped cuprates. We compare the estimated cyclotron mass with results from recent quantum oscillation experiments on ortho-II YBa2Cu3O6.5 by Doiron-Leyraud [Nature (London) 447, 565 (2007)] which appear to find Fermi pockets in the magnetic field induced normal state. We comment on the relation of this normal ground state to Fermi arcs seen in photoemission experiments above Tc . This slave rotor mean-field theory can be generalized to study inhomogeneous states and strongly interacting models relevant to ultracold atoms in optical lattices.

  18. From effective field theories to effective density functionals in and beyond the mean field

    NASA Astrophysics Data System (ADS)

    Grasso, M.; Lacroix, D.; van Kolck, U.

    2016-06-01

    Since the 1975 Nobel Prize in Physics, nuclear theory has evolved along two main directions. On the one hand, the energy-density functional (EDF) theory was established, which presently encompasses (by enlarging the EDF framework) all the mean-field and beyond-mean-field theories based on energy functionals produced by effective phenomenological interactions. Highly sophisticated structure and reaction models are currently available for the treatment of medium-mass and heavy nuclei. On the other hand, effective field theories (EFTs) have rendered possible the formulation of QCD as a low-energy hadronic theory. Ab initio methods have recently achieved remarkable success in the application of EFT or EFT-inspired potentials to structure analyses of light nuclei. Different but complementary competences have been developed during the past few decades in the EDF and EFT communities. Bridges and connections have in some cases been identified and constructed. We review here some of the developments that have been performed within the EDF theory and the EFT during recent years, with some emphasis on analogies and connections that may one day provide a unified picture of the two theories. Illustrations are given for infinite matter and finite nuclei.

  19. Spin Chain in Magnetic Field: Limitations of the Large-N Mean-Field Theory

    DOE PAGES

    Wohlfeld, K.; Chen, Cheng-Chien; van Veenendaal, M.; ...

    2015-02-01

    Motivated by the recent success in describing the spin and orbital spectrum of a spin-orbital chain using a large-N mean-field approximation [Phys. Rev. B 91, 165102 (2015)], we apply the same formalism to the case of a spin chain in the external magnetic field. It occurs that in this case, which corresponds to N=2 in the approximation, the large-N mean-field theory cannot qualitatively reproduce the spin excitation spectra at high magnetic fields, which polarize more than 50% of the spins in the magnetic ground state. This, rather counterintuitively, shows that the physics of a spin chain can under some circumstancesmore » be regarded as more complex than the physics of a spin-orbital chain.« less

  20. Spin Chain in Magnetic Field: Limitations of the Large-N Mean-Field Theory

    SciTech Connect

    Wohlfeld, K.; Chen, Cheng-Chien; van Veenendaal, M. ; Devereaux, T. P.

    2015-02-01

    Motivated by the recent success in describing the spin and orbital spectrum of a spin-orbital chain using a large-N mean-field approximation [Phys. Rev. B 91, 165102 (2015)], we apply the same formalism to the case of a spin chain in the external magnetic field. It occurs that in this case, which corresponds to N=2 in the approximation, the large-N mean-field theory cannot qualitatively reproduce the spin excitation spectra at high magnetic fields, which polarize more than 50% of the spins in the magnetic ground state. This, rather counterintuitively, shows that the physics of a spin chain can under some circumstances be regarded as more complex than the physics of a spin-orbital chain.

  1. Conserving Gapless Mean-Field Theory for Weakly Interacting Bose Gases

    NASA Astrophysics Data System (ADS)

    Kita, Takafumi

    2006-04-01

    This paper presents a conserving gapless mean-field theory for weakly interacting Bose gases. We first construct a mean-field Luttinger-Ward thermodynamic functional in terms of the condensate wave function \\Psi and the Nambu Green’s function \\hat{G} for the quasiparticle field. Imposing its stationarity respect to \\Psi and \\hat{G} yields a set of equations to determine the equilibrium for general non-uniform systems. They have a plausible property of satisfying the Hugenholtz-Pines theorem to provide a gapless excitation spectrum. Also, the corresponding dynamical equations of motion obey various conservation laws. Thus, the present mean-field theory shares two important properties with the exact theory: “conserving” and “gapless.” The theory is then applied to a homogeneous weakly interacting Bose gas with s-wave scattering length a and particle mass m to clarify its basic thermodynamic properties under two complementary conditions of constant density n and constant pressure p. The superfluid transition is predicted to be first-order because of the non-analytic nature of the order-parameter expansion near Tc inherent in Bose systems, i.e., the Landau-Ginzburg expansion is not possible here. The transition temperature Tc shows quite a different interaction dependence between the n-fixed and p-fixed cases. In the former case Tc increases from the ideal gas value T0 as Tc/T0= 1+ 2.33 an1/3, whereas it decreases in the latter as Tc/T0= 1- 3.84a(m p/2π\\hbar2)1/5. Temperature dependences of basic thermodynamic quantities are clarified explicitly.

  2. Non-mean-field theory of anomalously large double layer capacitance.

    PubMed

    Loth, M S; Skinner, Brian; Shklovskii, B I

    2010-07-01

    Mean-field theories claim that the capacitance of the double layer formed at a metal/ionic conductor interface cannot be larger than that of the Helmholtz capacitor, whose width is equal to the radius of an ion. However, in some experiments the apparent width of the double layer capacitor is substantially smaller. We propose an alternate non-mean-field theory of the ionic double layer to explain such large capacitance values. Our theory allows for the binding of discrete ions to their image charges in the metal, which results in the formation of interface dipoles. We focus primarily on the case where only small cations are mobile and other ions form an oppositely charged background. In this case, at small temperature and zero applied voltage dipoles form a correlated liquid on both contacts. We show that at small voltages the capacitance of the double layer is determined by the transfer of dipoles from one electrode to the other and is therefore limited only by the weak dipole-dipole repulsion between bound ions so that the capacitance is very large. At large voltages the depletion of bound ions from one of the capacitor electrodes triggers a collapse of the capacitance to the much smaller mean-field value, as seen in experimental data. We test our analytical predictions with a Monte Carlo simulation and find good agreement. We further argue that our "one-component plasma" model should work well for strongly asymmetric ion liquids. We believe that this work also suggests an improved theory of pseudocapacitance.

  3. Double occupancy in dynamical mean-field theory and the dual boson approach

    NASA Astrophysics Data System (ADS)

    van Loon, Erik G. C. P.; Krien, Friedrich; Hafermann, Hartmut; Stepanov, Evgeny A.; Lichtenstein, Alexander I.; Katsnelson, Mikhail I.

    2016-04-01

    We discuss the calculation of the double occupancy using dynamical mean-field theory in finite dimensions. The double occupancy can be determined from the susceptibility of the auxiliary impurity model or from the lattice susceptibility. The former method typically overestimates, whereas the latter underestimates the double occupancy. We illustrate this for the square-lattice Hubbard model. We propose an approach for which both methods lead to identical results by construction and which resolves this ambiguity. This self-consistent dual boson scheme results in a double occupancy that is numerically close to benchmarks available in the literature.

  4. The D-D-bar mesons matter in Walecka's mean field theory

    SciTech Connect

    Farias Freire, M. L. de; Rodrigues da Silva, R.

    2010-11-12

    We study the D-D-bar mesons matter in the framework of {sigma} and {omega} meson exchange model using Walecka's mean field theory. We choose the equal number of D and anti-D meson then we get <{omega}{sup 0}> = 0 and the <{sigma}> field exhibits a critical temperature around 1.2 GeV. We investigate effective mass and pressure. We conclude that this matter is a gas and these results are not favorable for the existence of D-D-bar bound state.

  5. Mean-field theory for confinement transitions and magnetization plateaux in spin ice

    NASA Astrophysics Data System (ADS)

    Powell, Stephen

    2017-03-01

    We study phase transitions in classical spin ice at nonzero magnetization, by introducing a mean-field theory designed to capture the interplay between confinement and topological constraints. The method is applied to a model of spin ice in an applied magnetic field along the ≤ft[1 0 0\\right] crystallographic direction and yields a phase diagram containing the Coulomb phase as well as a set of magnetization plateaux. We argue that the lobe structure of the phase diagram, strongly reminiscent of the Bose–Hubbard model, is generic to Coulomb spin liquids.

  6. Two-color spectroscopy of fermions in mean-field BCS-BEC crossover theory

    NASA Astrophysics Data System (ADS)

    Koštrun, Marijan; Côté, Robin

    2006-04-01

    We calculate two-photon Raman spectra for fermionic atoms with interactions described by a single-mode mean-field BCS-BEC crossover theory. We compare calculated spectra of interacting and noninteracting systems and find that interactions lead to the appearance of correlated atomic pair signal due to Cooper pairs; splitting of peaks in the spectroscopic signal due to the gap in fermionic dispersion; and attenuation of signal due to the partial conversion of fermions into the corresponding single-mode dimer. By exploring the behavior of these effects, one can obtain quantitative estimates of the BCS parameters from the spectra.

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

    PubMed

    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.

  8. Large-scale dynamo growth rates from numerical simulations and implications for mean-field theories.

    PubMed

    Park, Kiwan; Blackman, Eric G; Subramanian, Kandaswamy

    2013-05-01

    Understanding large-scale magnetic field growth in turbulent plasmas in the magnetohydrodynamic limit is a goal of magnetic dynamo theory. In particular, assessing how well large-scale helical field growth and saturation in simulations match those predicted by existing theories is important for progress. Using numerical simulations of isotropically forced turbulence without large-scale shear with its implications, we focus on several additional aspects of this comparison: (1) Leading mean-field dynamo theories which break the field into large and small scales predict that large-scale helical field growth rates are determined by the difference between kinetic helicity and current helicity with no dependence on the nonhelical energy in small-scale magnetic fields. Our simulations show that the growth rate of the large-scale field from fully helical forcing is indeed unaffected by the presence or absence of small-scale magnetic fields amplified in a precursor nonhelical dynamo. However, because the precursor nonhelical dynamo in our simulations produced fields that were strongly subequipartition with respect to the kinetic energy, we cannot yet rule out the potential influence of stronger nonhelical small-scale fields. (2) We have identified two features in our simulations which cannot be explained by the most minimalist versions of two-scale mean-field theory: (i) fully helical small-scale forcing produces significant nonhelical large-scale magnetic energy and (ii) the saturation of the large-scale field growth is time delayed with respect to what minimalist theory predicts. We comment on desirable generalizations to the theory in this context and future desired work.

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

    NASA Astrophysics Data System (ADS)

    Chou, Yen-Liang; Ihle, Thomas

    2015-02-01

    Recently, Hanke et al. [Phys. Rev. E 88, 052309 (2013), 10.1103/PhysRevE.88.052309] 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.

  10. Exact mean-field theory of ionic solutions: non-Debye screening

    NASA Astrophysics Data System (ADS)

    Varela, Luis M.; García, Manuel; Mosquera, Víctor

    2003-07-01

    The main aim of this report is to analyze the equilibrium properties of primitive model (PM) ionic solutions in the formally exact mean-field formalism. Previously, we review the main theoretical and numerical results reported throughout the last century for homogeneous (electrolytes) and inhomogeneous (electric double layer, edl) ionic systems, starting with the classical mean-field theory of electrolytes due to Debye and Hückel (DH). In this formalism, the effective potential is derived from the Poisson-Boltzmann (PB) equation and its asymptotic behavior analyzed in the classical Debye theory of screening. The thermodynamic properties of electrolyte solutions are briefly reviewed in the DH formalism. The main analytical and numerical extensions of DH formalism are revised, ranging from the earliest extensions that overcome the linearization of the PB equation to the more sophisticated integral equation techniques introduced after the late 1960s. Some Monte Carlo and molecular dynamic simulations are also reviewed. The potential distributions in an inhomogeneous ionic system are studied in the classical PB framework, presenting the classical Gouy-Chapman (GC) theory of the electric double layer (edl) in a brief manner. The mean-field theory is adequately contextualized using field theoretic (FT) results and it is proven that the classical PB theory is recovered at the Gaussian or one-loop level of the exact FT, and a systematic way to obtain the corrections to the DH theory is derived. Particularly, it is proven following Kholodenko and Beyerlein that corrections to DH theory effectively lead to a renormalization of charges and Debye screening length. The main analytical and numerical results for this non-Debye screening length are reviewed, ranging from asymptotic expansions, self-consistent theory, nonlinear DH results and hypernetted chain (HNC) calculations. Finally, we study the exact mean-field theory of ionic solutions, the so-called dressed-ion theory

  11. The role of the Hall current in mean-field dynamo theory

    NASA Astrophysics Data System (ADS)

    Bhattacharjee, Amitava; Lingam, Manasvi

    2016-10-01

    It is now well established that the Hall current plays a significant role in astrophysical environments. Hence, the role of the Hall term in classical mean-field dynamo theory is investigated. The standard alpha coefficient is modified, and shown to vanish only when a specific double Beltrami state (an outcome of certain Hall MHD relaxation theories) is attained. The dynamics of alpha quenching is also elaborated, and shown to exhibit both similarities and dissimilarities with its resistive MHD counterpart. A noteworthy and unusual feature of this analysis is the emergence of a turbulent resistivity that is not necessarily positive-definite. It implies that, even in the absence of shear and rotation, Hall effects may enable the growth of large-scale magnetic fields. Connections with the Hall MRI dynamo are also briefly discussed via a heuristic model. DOE Grant No. DE-AC02- 09CH-11466 and NSF Grant No. AGS-1338944.

  12. Compression induced phase transition of nematic brush: A mean-field theory study

    SciTech Connect

    Tang, Jiuzhou; Zhang, Xinghua; Yan, Dadong

    2015-11-28

    Responsive behavior of polymer brush to the external compression is one of the most important characters for its application. For the flexible polymer brush, in the case of low grafting density, which is widely studied by the Gaussian chain model based theory, the compression leads to a uniform deformation of the chain. However, in the case of high grafting density, the brush becomes anisotropic and the nematic phase will be formed. The normal compression tends to destroy the nematic order, which leads to a complex responsive behaviors. Under weak compression, chains in the nematic brush are buckled, and the bending energy and Onsager interaction give rise to the elasticity. Under deep compression, the responsive behaviors of the nematic polymer brush depend on the chain rigidity. For the compressed rigid polymer brush, the chains incline to re-orientate randomly to maximize the orientational entropy and its nematic order is destroyed. For the compressed flexible polymer brush, the chains incline to fold back to keep the nematic order. A buckling-folding transition takes place during the compressing process. For the compressed semiflexible brush, the chains are collectively tilted to a certain direction, which leads to the breaking of the rotational symmetry in the lateral plane. These responsive behaviors of nematic brush relate to the properties of highly frustrated worm-like chain, which is hard to be studied by the traditional self-consistent field theory due to the difficulty to solve the modified diffusion equation. To overcome this difficulty, a single chain in mean-field theory incorporating Monte Carlo simulation and mean-field theory for the worm-like chain model is developed in present work. This method shows high performance for entire region of chain rigidity in the confined condition.

  13. Compression induced phase transition of nematic brush: A mean-field theory study

    NASA Astrophysics Data System (ADS)

    Tang, Jiuzhou; Zhang, Xinghua; Yan, Dadong

    2015-11-01

    Responsive behavior of polymer brush to the external compression is one of the most important characters for its application. For the flexible polymer brush, in the case of low grafting density, which is widely studied by the Gaussian chain model based theory, the compression leads to a uniform deformation of the chain. However, in the case of high grafting density, the brush becomes anisotropic and the nematic phase will be formed. The normal compression tends to destroy the nematic order, which leads to a complex responsive behaviors. Under weak compression, chains in the nematic brush are buckled, and the bending energy and Onsager interaction give rise to the elasticity. Under deep compression, the responsive behaviors of the nematic polymer brush depend on the chain rigidity. For the compressed rigid polymer brush, the chains incline to re-orientate randomly to maximize the orientational entropy and its nematic order is destroyed. For the compressed flexible polymer brush, the chains incline to fold back to keep the nematic order. A buckling-folding transition takes place during the compressing process. For the compressed semiflexible brush, the chains are collectively tilted to a certain direction, which leads to the breaking of the rotational symmetry in the lateral plane. These responsive behaviors of nematic brush relate to the properties of highly frustrated worm-like chain, which is hard to be studied by the traditional self-consistent field theory due to the difficulty to solve the modified diffusion equation. To overcome this difficulty, a single chain in mean-field theory incorporating Monte Carlo simulation and mean-field theory for the worm-like chain model is developed in present work. This method shows high performance for entire region of chain rigidity in the confined condition.

  14. GENERAL: Mean-field Theory for Some Bus Transport Networks with Random Overlapping Clique Structure

    NASA Astrophysics Data System (ADS)

    Yang, Xu-Hua; Sun, Bao; Wang, Bo; Sun, You-Xian

    2010-04-01

    Transport networks, such as railway networks and airport networks, are a kind of random network with complex topology. Recently, more and more scholars paid attention to various kinds of transport networks and try to explore their inherent characteristics. Here we study the exponential properties of a recently introduced Bus Transport Networks (BTNs) evolution model with random overlapping clique structure, which gives a possible explanation for the observed exponential distribution of the connectivities of some BTNs of three major cities in China. Applying mean-field theory, we analyze the BTNs model and prove that this model has the character of exponential distribution of the connectivities, and develop a method to predict the growth dynamics of the individual vertices, and use this to calculate analytically the connectivity distribution and the exponents. By comparing mean-field based theoretic results with the statistical data of real BTNs, we observe that, as a whole, both of their data show similar character of exponential distribution of the connectivities, and their exponents have same order of magnitude, which show the availability of the analytical result of this paper.

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

    PubMed

    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.

  16. Atomically flat superconducting nanofilms: multiband properties and mean-field theory

    NASA Astrophysics Data System (ADS)

    Shanenko, A. A.; Aguiar, J. Albino; Vagov, A.; Croitoru, M. D.; Milošević, M. V.

    2015-05-01

    Recent progress in materials synthesis enabled fabrication of superconducting atomically flat single-crystalline metallic nanofilms with thicknesses down to a few monolayers. Interest in such nano-thin systems is attracted by the dimensional 3D-2D crossover in their coherent properties which occurs with decreasing the film thickness. The first fundamental aspect of this crossover is dictated by the Mermin-Wagner-Hohenberg theorem and concerns frustration of the long-range order due to superconductive fluctuations and the possibility to track its impact with an unprecedented level of control. The second important aspect is related to the Fabri-Pérot modes of the electronic motion strongly bound in the direction perpendicular to the nanofilm. The formation of such modes results in a pronounced multiband structure that changes with the nanofilm thickness and affects both the mean-field behavior and superconductive fluctuations. Though the subject is very rich in physics, it is scarcely investigated to date. The main obstacle is that there are no manageable models to study a complex magnetic response in this case. Full microscopic consideration is rather time consuming, if practicable at all, while the standard Ginzburg-Landau theory is not applicable. In the present work we review the main achievements in the subject to date, and construct and justify an efficient multiband mean-field formalism which allows for numerical and even analytical treatment of nano-thin superconductors in applied magnetic fields.

  17. Mean-Field Theory of Intra-Molecular Charge Ordering in (TTM--TTP)I3

    NASA Astrophysics Data System (ADS)

    Omori, Yukiko; Tsuchiizu, Masahisa; Suzumura, Yoshikazu

    2011-02-01

    We examine an intra-molecular charge-ordered (ICO) state in the multi-orbital molecular compound (TTM--TTP)I3 on the basis of an effective two-orbital model derived from ab initio calculations. Representing the model in terms of the fragment molecular-orbital (MO) picture, the ICO state is described as the charge disproportionation on the left and right fragment MOs. By applying the mean-field theory, the phase diagram of the ground state is obtained as a function of the inter-molecular Coulomb repulsion and the intra-molecular transfer integral. The ICO state is stabilized by large inter-fragment Coulomb interactions, and the small intra-molecular transfer energy between two fragment MOs. Furthermore, we examine the finite-temperature phase diagram. The relevance to the experimental observations in the molecular compound of (TTM--TTP)I3 is also discussed.

  18. Mean-Field Theory of the Symmetry Breaking Model for X Chromosome Inactivation

    NASA Astrophysics Data System (ADS)

    Scialdone, A.; Barbieri, M.; Pallotti, D.; Nicodemi, M.

    X Chromosome Inactivation (XCI) is the process in mammal femalecells whereby one of the X chromosomes is silenced to compensate dosage with respect to males. It is still mysterious how precisely one X chromosome is randomly chosen for inactivation. We discuss here a mean-field theory of the Symmetry Breaking (SB) model of XCI, a Statistical Mechanics model introduced to explain that process. The SB model poses that a single regulatory factor, an aggregate of molecules, is produced which acts to preserve from inactivation one of the X's. The model illustrates a physical mechanism, originating from a thermodynamic phase transition, for the self-assembling of such a single super-molecular aggregate which can spontaneously break the binding symmetry of equivalent targets. This results in a sharp, yet stochastic, regulatory mechanism of XCI. In particular, we focus here on how the model can predict the effects of genetic deletions.

  19. Application of relativistic mean field and effective field theory densities to scattering observables for Ca isotopes

    SciTech Connect

    Bhuyan, M.; Panda, R. N.; Routray, T. R.; Patra, S. K.

    2010-12-15

    In the framework of relativistic mean field (RMF) theory, we have calculated the density distribution of protons and neutrons for {sup 40,42,44,48}Ca with NL3 and G2 parameter sets. The microscopic proton-nucleus optical potentials for p+{sup 40,42,44,48}Ca systems are evaluated from the Dirac nucleon-nucleon scattering amplitude and the density of the target nucleus using relativistic-Love-Franey and McNeil-Ray-Wallace parametrizations. We have estimated the scattering observables, such as the elastic differential scattering cross section, analyzing power and the spin observables with the relativistic impulse approximation (RIA). The results have been compared with the experimental data for a few selective cases and we find that the use of density as well as the scattering matrix parametrizations are crucial for the theoretical prediction.

  20. Nonequilibrium dynamical mean-field theory: an auxiliary quantum master equation approach.

    PubMed

    Arrigoni, Enrico; Knap, Michael; von der Linden, Wolfgang

    2013-02-22

    We introduce a versatile method to compute electronic steady-state properties of strongly correlated extended quantum systems out of equilibrium. The approach is based on dynamical mean-field theory (DMFT), in which the original system is mapped onto an auxiliary nonequilibrium impurity problem imbedded in a Markovian environment. The steady-state Green's function of the auxiliary system is solved by full diagonalization of the corresponding Lindblad equation. The approach can be regarded as the nontrivial extension of the exact-diagonalization-based DMFT to the nonequilibrium case. As a first application, we consider an interacting Hubbard layer attached to two metallic leads and present results for the steady-state current and the nonequilibrium density of states.

  1. Generalized mean-field theory for Ising spins in small world networks.

    PubMed

    Meilikhov, E Z; Farzetdinova, R M

    2005-04-01

    A generalization of mean-field theory for random systems is described. The results of that analytic model could be reconciled with the results of numerical calculations of the Curie temperature for a system of Ising spins in small world (SW) networks by introducing the effective interaction energy associated with long-range links which exceeds the real energy of spin interaction. Such a model describes qualitatively well the increasing Curie temperature T(C) with the growth of the long-range links fraction p in the two-dimensional SW system with fixed coordination number. On the basis of simple physical considerations, concentration dependences T(C)(p) are found for SW systems of different dimensions.

  2. Dynamic mean field theory for lattice gas models of fluid mixtures confined in mesoporous materials.

    PubMed

    Edison, J R; Monson, P A

    2013-11-12

    We present the extension of dynamic mean field theory (DMFT) for fluids in porous materials (Monson, P. A. J. Chem. Phys. 2008, 128, 084701) to the case of mixtures. The theory can be used to describe the relaxation processes in the approach to equilibrium or metastable equilibrium states for fluids in pores after a change in the bulk pressure or composition. It is especially useful for studying systems where there are capillary condensation or evaporation transitions. Nucleation processes associated with these transitions are emergent features of the theory and can be visualized via the time dependence of the density distribution and composition distribution in the system. For mixtures an important component of the dynamics is relaxation of the composition distribution in the system, especially in the neighborhood of vapor-liquid interfaces. We consider two different types of mixtures, modeling hydrocarbon adsorption in carbon-like slit pores. We first present results on bulk phase equilibria of the mixtures and then the equilibrium (stable/metastable) behavior of these mixtures in a finite slit pore and an inkbottle pore. We then use DMFT to describe the evolution of the density and composition in the pore in the approach to equilibrium after changing the state of the bulk fluid via composition or pressure changes.

  3. A mean-field theory on the differential capacitance of asymmetric ionic liquid electrolytes.

    PubMed

    Han, Yining; Huang, Shanghui; Yan, Tianying

    2014-07-16

    The size of ions significantly influences the electric double layer structure of room temperature ionic liquid (IL) electrolytes and their differential capacitance (Cd). In this study, we extended the mean-field theory (MFT) developed independently by Kornyshev (2007J. Phys. Chem. B 111 5545-57) and Kilic, Bazant, and Ajdari (2007 Phys. Rev. E 75 021502) (the KKBA MFT) to take into account the asymmetric 1:1 IL electrolytes by introducing an additional parameter ξ for the anion/cation volume ratio, besides the ionic compressibility γ in the KKBA MFT. The MFT of asymmetric ions becomes KKBA MFT upon ξ = 1, and further reduces to Gouy-Chapman theory in the γ → 0 limit. The result of the extended MFT demonstrates that the asymmetric ILs give rise to an asymmetric Cd, with the higher peak in Cd occurring at positive polarization for the smaller anionic size. At high potential, Cd decays asymptotically toward KKBA MFT characterized by γ for the negative polarization, and characterized by ξγ for the positive polarization, with inverse-square-root behavior. At low potential, around the potential of zero charge, the asymmetric ions cause a higher Cd, which exceeds that of Gouy-Chapman theory.

  4. State-of-the-art of beyond mean field theories with nuclear density functionals

    NASA Astrophysics Data System (ADS)

    Egido, J. Luis

    2016-07-01

    We present an overview of different beyond mean field theories (BMFTs) based on the generator coordinate method (GCM) and the recovery of symmetries used in many body nuclear physics with effective forces. In a first step a short reminder of the Hartree-Fock-Bogoliubov (HFB) theory is given. A general discussion of the shortcomings of any mean field approximation (MFA), stemming either from the lack of the elementary symmetries (like particle number and angular momentum) or the absence of fluctuations around the mean values, is presented. The recovery of the symmetries spontaneously broken in the HFB approach, in particular the angular momentum, is necessary, among others, to describe excited states and transitions. Particle number projection is also needed to guarantee the right number of protons and neutrons. Furthermore a projection before the variation prevents the pairing collapse in the weak pairing regime. A whole chapter is devoted to illustrate with examples the convenience of recovering symmetries and the differences between the projection before and after the variation. The lack of fluctuations around the average values of the MFA is a big shortcoming inherent to this approach. To build in correlations in BMFT one selects the relevant degrees of freedom of the atomic nucleus. In the low energy part of the spectrum these are the quadrupole, octupole and the pairing vibrations as well as the single particle degrees of freedom. In the GCM the operators representing these degrees of freedom are used as coordinates to generate, by the constrained (projected) HFB theory, a collective subspace. The highly correlated GCM wave function is finally written as a linear combination of a projected basis of this space. The variation of the coefficients of the linear combination leads to the Hill-Wheeler equation. The flexibility of the GCM Ansatz allows to describe a whole palette of physical situations by conveniently choosing the generator coordinates. We discuss the

  5. Nonequilibrium Dynamical Mean-Field Theory for the Charge-Density-Wave Phase of the Falicov-Kimball Model

    SciTech Connect

    Matveev, O. P.; Shvaika, A. M.; Devereaux, T. P.; Freericks, J. K.

    2015-12-08

    Nonequilibrium dynamical mean-field theory (DMFT) is developed for the case of the charge-density-wave ordered phase. We consider the spinless Falicov-Kimball model which can be solved exactly. This strongly correlated system is then placed in an uniform external dc electric field. We present a complete derivation for nonequilibrium dynamical mean-field theory Green’s functions defined on the Keldysh-Schwinger time contour. We also discuss numerical issues involved in solving the coupled equations.

  6. Diffuse phase transition in ferroelectrics with mesoscopic heterogeneity: Mean-field theory

    SciTech Connect

    Li, S.; Eastman, J.A.; Newnham, R.E.; Cross, L.E.

    1997-05-01

    The diffuse phase transition in ferroelectrics with mesoscopic heterogeneity has been discussed within the context of a superparaelectric model by using the Ginzburg-Landau formalism. In the Curie region ferroelectrics with mesoscopic heterogeneity are treated as {open_quotes}superparaelectrics{close_quotes} consisting of a mass of polar clusters, each of which has Ising character. Based on the mean-field theory, the influence of the finite-size effects of polar clusters on their structural instability has been discussed by considering a coherent lattice coupling between two structurally different regions. In particular, we have analytically derived the explicit solutions of the distribution of local polarizations. In turn, the processes of polar nanophase precipitation and coarsening have been also discussed in conjunction with the local chemical or structural inhomogeneity. Moreover, we have also analyzed the relationship between the local polarization distribution and the static dielectric susceptibility in ferroelectrics with the nanometric scale heterogeneity. The width of the Curie region is dependent upon the distribution of the sum of localized correlation length, which reflects the size distribution of heterogeneity. The presented analysis reveals that the diffuse phase transition is closely associated with the existence of nanometric polar clusters and their physical size distribution. Intriguingly, our theoretical results bear a very close resemblance to most experimental observations. {copyright} {ital 1997} {ital The American Physical Society}

  7. Mean-field Density Functional Theory of a Three-Phase Contact Line

    NASA Astrophysics Data System (ADS)

    Lin, Chang-You

    A three-phase contact line in a three-phase fluid system is modeled by a mean-field density functional theory. We use a variational approach to find the Euler-Lagrange equations. Analytic solutions are obtained in the two-phase regions at large distances from the contact line. We employ a triangular grid and use a successive over-relaxation method to find numerical solutions in the entire domain for the special case of equal interfacial tensions for the two-phase interfaces. We use the Kerins-Boiteux formula to obtain a line tension associated with the contact line. This line tension turns out to be negative. We associate line adsorption with the change of line tension as the governing potentials change. We develop a geometrical interpretation to generalize our potential in order to study less symmetric systems as occur in some practical phase diagrams. A set of special cases of this new potential are linear transformations from our original potential. In those special cases, we can obtain solutions by scaling of our former results.

  8. Magnetic and antimagnetic rotation in 110Cd within tilted axis cranking relativistic mean-field theory

    NASA Astrophysics Data System (ADS)

    Peng, J.; Zhao, P. W.

    2015-04-01

    The self-consistent tilted axis cranking relativistic mean-field (TAC-RMF) theory based on a point-coupling interaction is applied to investigate the observed magnetic and antimagnetic rotations in the nucleus 110Cd . The energy spectra, the relation between the spin and the rotational frequency, the deformation parameters, and the reduced M 1 and E 2 transition probabilities are studied with the various configurations. It is found that the configuration has to be changed to reproduce the energy spectra and the relations between the spin and the rotational frequency for both the magnetic and antimagnetic rotational bands. The shears mechanism for the magnetic rotation and the two-shears-like mechanism for the antimagnetic rotation are examined by investigating the orientation of the neutron and proton angular momenta. The calculated electromagnetic transitions B (M 1 ) and B (E 2 ) are in reasonable agreement with the data, and their tendencies are coincident with the typical characteristics of the magnetic and antimagnetic rotations.

  9. Correlated cluster mean-field theory for spin-glass systems

    NASA Astrophysics Data System (ADS)

    Zimmer, F. M.; Schmidt, M.; Magalhaes, S. G.

    2014-06-01

    The competition between cluster spin glass (CSG) and ferromagnetism or antiferromagnetism is studied in this work. The model considers clusters of spins with short-range ferromagnetic or antiferromagnetic (FE-AF) interactions (J0) and long-range disordered couplings (J) between clusters. The problem is treated by adapting the correlated cluster mean-field theory of D. Yamamoto [Phys. Rev. B 79, 144427 (2009), 10.1103/PhysRevB.79.144427]. Phase diagrams T /J×J0/J are obtained for different cluster sizes ns. The results show that the CSG phase is found below the freezing temperature Tf for lower intensities of J0/J. The increase of short-range FE interaction can favor the CSG phase, while the AF one reduces the CSG region by decreasing the Tf. However, there are always critical values of J0 where AF or FE orders become stable. The results also indicate a strong influence of the cluster size in the competition of magnetic phases. For AF cluster, the increase of ns diminishes Tf reducing the CSG phase region, which indicates that the cluster surface spins can play an important role in the CSG arising.

  10. Characterizing featureless Mott insulating state by quasiparticle interference: A dynamical mean field theory view

    NASA Astrophysics Data System (ADS)

    Mukherjee, Shantanu; Lee, Wei-Cheng

    2015-12-01

    The quasiparticle interferences (QPIs) of the featureless Mott insulators are investigated by a T -matrix formalism implemented with the dynamical mean field theory (T -DMFT). In the Mott insulating state, due to the singularity at zero frequency in the real part of the electron self-energy [Re Σ (ω )˜η /ω ] predicted by DMFT, where η can be considered as the "order parameter" for the Mott insulating state, QPIs are completely washed out at small bias voltages. However, a further analysis shows that Re Σ (ω ) serves as an energy-dependent chemical potential shift. As a result, the effective bias voltage seen by the system is e V'=e V -Re Σ (e V ) , which leads to a critical bias voltage e Vc˜√{η } satisfying e V'=0 if and only if η is nonzero. Consequently, the same QPI patterns produced by the noninteracting Fermi surfaces appear at this critical bias voltage e Vc in the Mott insulating state. We propose that this reentry of noninteracting QPI patterns at e Vc could serve as an experimental signature of the Mott insulating state, and the order parameter can be experimentally measured as η ˜(eVc) 2 .

  11. Analytic models of regularly branched polymer brushes using the self-consistent mean field theory

    NASA Astrophysics Data System (ADS)

    LeSher, Daniel

    2015-10-01

    Polymer brushes consist of multiple monomers connected together with one of the polymer chain's ends attached to a surface. Polymer brushes have shown great promise for a wide variety of applications including drug delivery dendrimer systems and as tunable brushes that can change their shape and physical properties in response to changes in their environment. Regularly branched polymer brushes which are structured as a function of their chemical indices are investigated here using the self-consistent mean field theory for electrically neutral polymers. The brushes were described using weighting functions, f(n), were n was the fewest number of monomers from a specified location to a free end. Brushes with weighting functions of the form f(n)=nb, f(n)=ebn, as well as f(n)=dan when d 2 and alpha > 2 were found to match the parabolic free chain end profile expected, while it was determined that polymer brushes described using f(n)=n b must be very small in order to remain in equilibrium. However, brushes described by f(n)=2G(N-n) N and f(n)2n were found to be unstable for real, positive values of the potential of the system.

  12. General model of phospholipid bilayers in fluid phase within the single chain mean field theory.

    PubMed

    Guo, Yachong; Pogodin, Sergey; Baulin, Vladimir A

    2014-05-07

    Coarse-grained model for saturated phospholipids: 1,2-didecanoyl-sn-glycero-3-phosphocholine (DCPC), 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC), 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) and unsaturated phospholipids: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), 1,2- dioleoyl-sn-glycero-3-phosphocholine (DOPC) is introduced within the single chain mean field theory. A single set of parameters adjusted for DMPC bilayers gives an adequate description of equilibrium and mechanical properties of a range of saturated lipid molecules that differ only in length of their hydrophobic tails and unsaturated (POPC, DOPC) phospholipids which have double bonds in the tails. A double bond is modeled with a fixed angle of 120°, while the rest of the parameters are kept the same as saturated lipids. The thickness of the bilayer and its hydrophobic core, the compressibility, and the equilibrium area per lipid correspond to experimentally measured values for each lipid, changing linearly with the length of the tail. The model for unsaturated phospholipids also fetches main thermodynamical properties of the bilayers. This model is used for an accurate estimation of the free energies of the compressed or stretched bilayers in stacks or multilayers and gives reasonable estimates for free energies. The proposed model may further be used for studies of mixtures of lipids, small molecule inclusions, interactions of bilayers with embedded proteins.

  13. Competitive adsorption and ordered packing of counterions near highly charged surfaces: From mean-field theory to Monte Carlo simulations.

    PubMed

    Wen, Jiayi; Zhou, Shenggao; Xu, Zhenli; Li, Bo

    2012-04-01

    Competitive adsorption of counterions of multiple species to charged surfaces is studied by a size-effect-included mean-field theory and Monte Carlo (MC) simulations. The mean-field electrostatic free-energy functional of ionic concentrations, constrained by Poisson's equation, is numerically minimized by an augmented Lagrangian multiplier method. Unrestricted primitive models and canonical ensemble MC simulations with the Metropolis criterion are used to predict the ionic distributions around a charged surface. It is found that, for a low surface charge density, the adsorption of ions with a higher valence is preferable, agreeing with existing studies. For a highly charged surface, both the mean-field theory and the MC simulations demonstrate that the counterions bind tightly around the charged surface, resulting in a stratification of counterions of different species. The competition between mixed entropy and electrostatic energetics leads to a compromise that the ionic species with a higher valence-to-volume ratio has a larger probability to form the first layer of stratification. In particular, the MC simulations confirm the crucial role of ionic valence-to-volume ratios in the competitive adsorption to charged surfaces that had been previously predicted by the mean-field theory. The charge inversion for ionic systems with salt is predicted by the MC simulations but not by the mean-field theory. This work provides a better understanding of competitive adsorption of counterions to charged surfaces and calls for further studies on the ionic size effect with application to large-scale biomolecular modeling.

  14. Temperature and bath size in exact diagonalization dynamical mean field theory.

    PubMed

    Liebsch, Ansgar; Ishida, Hiroshi

    2012-02-08

    Dynamical mean field theory (DMFT), combined with finite-temperature exact diagonalization, is one of the methods used to describe electronic properties of strongly correlated materials. Because of the rapid growth of the Hilbert space, the size of the finite bath used to represent the infinite lattice is severely limited. In view of the increasing interest in the effect of multi-orbital and multi-site Coulomb correlations in transition metal oxides, high-T(c) cuprates, iron-based pnictides, organic crystals, etc, it is appropriate to explore the range of temperatures and bath sizes in which exact diagonalization provides accurate results for various system properties. On the one hand, the bath must be large enough to achieve a sufficiently dense level spacing, so that useful spectral information can be derived, especially close to the Fermi level. On the other hand, for an adequate projection of the lattice Green's function onto a finite bath, the choice of the temperature is crucial. The role of these two key ingredients in exact diagonalization DMFT is discussed for a wide variety of systems in order to establish the domain of applicability of this approach. Three criteria are used to illustrate the accuracy of the results: (i) the convergence of the self-energy with the bath size, (ii) the quality of the discretization of the bath Green's function, and (iii) comparisons with complementary results obtained via continuous-time quantum Monte Carlo DMFT. The materials comprise a variety of three-orbital and five-orbital systems, as well as single-band Hubbard models for two-dimensional triangular, square and honeycomb lattices, where non-local Coulomb correlations are important. The main conclusion from these examples is that a larger number of correlated orbitals or sites requires a smaller number of bath levels. Down to temperatures of 5-10 meV (for typical bandwidths W ≈ 2 eV) two bath levels per correlated impurity orbital or site are usually adequate.

  15. Nuclear matter properties in the relativistic mean-field theory at finite temperature with interaction between sigma-omega mesons

    SciTech Connect

    Costa, R. S.; Duarte, S. B.; Oliveira, J. C. T.; Chiapparini, M.

    2010-05-21

    We study the nuclear matter properties in the regime of high temperatures using a relativistic mean-field theory. Contrasting with the usual linear Walecka model, we include the sigma-omega meson coupling in order to investigate the role of this interaction in the nucleon effective mass behavior. Some numerical results are presented and discussed.

  16. Accurate nonadiabatic quantum dynamics on the cheap: Making the most of mean field theory with master equations

    NASA Astrophysics Data System (ADS)

    Kelly, Aaron; Brackbill, Nora; Markland, Thomas E.

    2015-03-01

    In this article, we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean field generalized quantum master equation (MF-GQME) approach is a non-perturbative and non-Markovian theory to treat open quantum systems without any restrictions on the form of the Hamiltonian that it can be applied to. By studying relaxation dynamics in a wide range of dynamical regimes, typical of charge and energy transfer, we show that MF-GQME provides a much higher accuracy than a direct application of mean field theory. In addition, these increases in accuracy are accompanied by computational speed-ups of between one and two orders of magnitude that become larger as the system becomes more nonadiabatic. This combination of quantum-classical theory and master equation techniques thus makes it possible to obtain the accuracy of much more computationally expensive approaches at a cost lower than even mean field dynamics, providing the ability to treat the quantum dynamics of atomistic condensed phase systems for long times.

  17. Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equations.

    PubMed

    Kelly, Aaron; Brackbill, Nora; Markland, Thomas E

    2015-03-07

    In this article, we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean field generalized quantum master equation (MF-GQME) approach is a non-perturbative and non-Markovian theory to treat open quantum systems without any restrictions on the form of the Hamiltonian that it can be applied to. By studying relaxation dynamics in a wide range of dynamical regimes, typical of charge and energy transfer, we show that MF-GQME provides a much higher accuracy than a direct application of mean field theory. In addition, these increases in accuracy are accompanied by computational speed-ups of between one and two orders of magnitude that become larger as the system becomes more nonadiabatic. This combination of quantum-classical theory and master equation techniques thus makes it possible to obtain the accuracy of much more computationally expensive approaches at a cost lower than even mean field dynamics, providing the ability to treat the quantum dynamics of atomistic condensed phase systems for long times.

  18. Accurate nonadiabatic quantum dynamics on the cheap: Making the most of mean field theory with master equations

    SciTech Connect

    Kelly, Aaron; Markland, Thomas E.; Brackbill, Nora

    2015-03-07

    In this article, we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean field generalized quantum master equation (MF-GQME) approach is a non-perturbative and non-Markovian theory to treat open quantum systems without any restrictions on the form of the Hamiltonian that it can be applied to. By studying relaxation dynamics in a wide range of dynamical regimes, typical of charge and energy transfer, we show that MF-GQME provides a much higher accuracy than a direct application of mean field theory. In addition, these increases in accuracy are accompanied by computational speed-ups of between one and two orders of magnitude that become larger as the system becomes more nonadiabatic. This combination of quantum-classical theory and master equation techniques thus makes it possible to obtain the accuracy of much more computationally expensive approaches at a cost lower than even mean field dynamics, providing the ability to treat the quantum dynamics of atomistic condensed phase systems for long times.

  19. Systematic nuclear structure studies using relativistic mean field theory in mass region A ˜ 130

    NASA Astrophysics Data System (ADS)

    Shukla, A.; Åberg, Sven; Bajpeyi, Awanish

    2017-02-01

    Nuclear structure studies for even-even nuclei in the mass region \\backsim 130, have been performed, with a special focus around N or Z = 64. On the onset of deformation and lying between two closed shell, these nuclei have attracted attention in a number of studies. A revisit to these experimentally accessible nuclei has been made via the relativistic mean field. The role of pairing and density depletion in the interior has been specially investigated. Qualitative analysis between two versions of relativistic mean field suggests that there is no significant difference between the two approaches. Moreover, the role of the filling {{{s}}}1/2 orbital in density depletion towards the centre has been found to be consistent with our earlier work on the subject Shukla and Åberg (2014 Phys. Rev. C 89 014329).

  20. LETTER TO THE EDITOR: Car-oriented mean-field theory for traffic flow models

    NASA Astrophysics Data System (ADS)

    Schadschneider, Andreas; Schreckenberg, Michael

    1997-02-01

    We present a new analytical description of the cellular automaton model for single-lane traffic. In contrast to previous approaches we do not use the occupation number of sites as dynamical variable but rather the distance between consecutive cars. Therefore certain longer-ranged correlations are taken into account and even a mean-field approach yields non-trivial results. In fact for the model with 0305-4470/30/4/005/img5 the exact solution is reproduced. For 0305-4470/30/4/005/img6 the fundamental diagram shows a good agreement with results from simulations.

  1. Bose-Einstein condensates with balanced gain and loss beyond mean-field theory

    NASA Astrophysics Data System (ADS)

    Dast, Dennis; Haag, Daniel; Cartarius, Holger; Main, Jörg; Wunner, Günter

    2016-11-01

    Most of the work done in the field of Bose-Einstein condensates with balanced gain and loss has been performed in the mean-field approximation using the P T -symmetric Gross-Pitaevskii equation. In this work we study the many-particle dynamics of a two-mode condensate with balanced gain and loss described by a master equation in Lindblad form whose purity periodically drops to small values but then is nearly completely restored. This effect cannot be covered by the mean-field approximation, in which a completely pure condensate is assumed. We present analytic solutions for the dynamics in the noninteracting limit and use the Bogoliubov backreaction method to discuss the influence of the on-site interaction. Our main result is that the strength of the purity revivals is almost exclusively determined by the strength of the gain and loss and is independent of the amount of particles in the system and the interaction strength. For larger particle numbers, however, strong revivals are shifted towards longer times, but by increasing the interaction strength these strong revivals again occur earlier.

  2. Quantum de Finetti theorems and mean-field theory from quantum phase space representations

    NASA Astrophysics Data System (ADS)

    Trimborn, F.; Werner, R. F.; Witthaut, D.

    2016-04-01

    We introduce the number-conserving quantum phase space description as a versatile tool to address fundamental aspects of quantum many-body systems. Using phase space methods we prove two alternative versions of the quantum de Finetti theorem for finite-dimensional bosonic quantum systems, which states that a reduced density matrix of a many-body quantum state can be approximated by a convex combination of product states where the error is proportional to the inverse particle number. This theorem provides a formal justification for the mean-field description of many-body quantum systems, as it shows that quantum correlations can be neglected for the calculation of few-body observables when the particle number is large. Furthermore we discuss methods to derive the exact evolution equations for quantum phase space distribution functions as well as upper and lower bounds for the ground state energy. As an important example, we consider the Bose-Hubbard model and show that the mean-field dynamics is given by a classical phase space flow equivalent to the discrete Gross-Pitaevskii equation.

  3. Landau-like theory for universality of critical exponents in quasistationary states of isolated mean-field systems.

    PubMed

    Ogawa, Shun; Yamaguchi, Yoshiyuki Y

    2015-06-01

    An external force dynamically drives an isolated mean-field Hamiltonian system to a long-lasting quasistationary state, whose lifetime increases with population of the system. For second order phase transitions in quasistationary states, two nonclassical critical exponents have been reported individually by using a linear and a nonlinear response theories in a toy model. We provide a simple way to compute the critical exponents all at once, which is an analog of the Landau theory. The present theory extends the universality class of the nonclassical exponents to spatially periodic one-dimensional systems and shows that the exponents satisfy a classical scaling relation inevitably by using a key scaling of momentum.

  4. Spectral properties and phase diagram of correlated lattice bosons in an optical cavity within bosonic dynamical mean-field theory

    NASA Astrophysics Data System (ADS)

    Panas, Jaromir; Kauch, Anna; Byczuk, Krzysztof

    2017-03-01

    We use the Bose-Hubbard model with an effective infinite-range interaction to describe the correlated lattice bosons in an optical cavity. We study both static and spectral properties of such system within the bosonic dynamical mean-field theory, which is the state-of-the-art method for strongly correlated bosonic systems. Both similarities and differences are found and discussed between our results and those obtained within different theoretical methods and experiment.

  5. Real-space mean-field theory of a spin-1 Bose gas in synthetic dimensions

    NASA Astrophysics Data System (ADS)

    Hurst, Hilary M.; Wilson, Justin H.; Pixley, J. H.; Spielman, I. B.; Natu, Stefan S.

    2016-12-01

    The internal degrees of freedom provided by ultracold atoms provide a route for realizing higher dimensional physics in systems with limited spatial dimensions. Nonspatial degrees of freedom in these systems are dubbed "synthetic dimensions." This connection is useful from an experimental standpoint but complicated by the fact that interactions alter the condensate ground state. Here we use the Gross-Pitaevskii equation to study the ground-state properties of a spin-1 Bose gas under the combined influence of an optical lattice, spatially varying spin-orbit coupling, and interactions at the mean-field level. The associated phases depend on the sign of the spin-dependent interaction parameter and the strength of the spin-orbit field. We find "charge"- and spin-density-wave phases which are directly related to helical spin order in real space and affect the behavior of edge currents in the synthetic dimension. We determine the resulting phase diagram as a function of the spin-orbit coupling and spin-dependent interaction strength, considering both attractive (ferromagnetic) and repulsive (polar) spin-dependent interactions, and we provide a direct comparison of our results with the noninteracting case. Our findings are applicable to current and future experiments, specifically with 87Rb, 7Li, 41K, and 23Na.

  6. Microscopic theory of dissipation for slowly time-dependent mean field potentials

    NASA Astrophysics Data System (ADS)

    Aleshin, V. P.

    2005-10-01

    We study the dissipation rate Q˙ in systems of nucleons bound by a slowly time-dependent mean-field potential and slightly interacting between themselves. Starting from the many-body linear response formula we evaluate an expression for Q˙ in terms of the pure shell-model quantities and the nucleon-nucleon collision rate Γ. The application of the classical sum rule leads then to an expression for Q˙ in terms of the classical-path integral with the weighting function including Γ. For vanishing Γ this expression reduces to the Koonin-Randrup Knudsen-gas formula. For simplified Skyrme interactions the classical approximation for the Γ itself is obtained. In leptodermous systems the classical-path expression for Q˙ decomposes into the wall formula and the multiple-reflection term owing to incomplete randomization of particle motion between consecutive encounters with the boundary. The mean-free path and temperature dependence of dissipation is analyzed for small-amplitude distortions of spherical cavities.

  7. Systematic study of low-lying E1 strength using the time-dependent mean field theory

    SciTech Connect

    Ebata, S.; Nakatsukasa, T.; Inakura, T.

    2012-11-12

    We carry out systematic investigation of electric dipole (E1) mode from light to heavy nuclei, using a new time-dependent mean field theory: the Canonical-basis Time-Dependent Hartree-Fock-Bogoliubov (Cb-TDHFB) theory. The Cb-TDHFB in the three-dimensional coordinate space representation can deal with pairing correlation and any kind of deformation in the timedependent framework. We report the neutron-number dependence of the low-energy E1 mode for light (A > 40) and heavy isotopes (A < 100) around N= 82.

  8. Study of bottleneck effect at an emergency evacuation exit using cellular automata model, mean field approximation analysis, and game theory

    NASA Astrophysics Data System (ADS)

    Tanimoto, Jun; Hagishima, Aya; Tanaka, Yasukaka

    2010-12-01

    An improved cellular automaton model for pedestrian dynamics was established, where both static floor field and collision effect derived from game theory were considered. Several model parameters were carefully determined by previous studies. Results obtained through model-based simulation and analytical approach (derived from mean field approximation) proved that outflow rate from an evacuation exit, which is usually estimated using outflow coefficient in building codes in Japan, can be improved by placing an appropriate obstacle in front of the exit. This can reduce collision probability at the exit by increasing collisions around the obstacles ahead of the exit.

  9. Ising spin-glass transition in a magnetic field outside the limit of validity of mean-field theory.

    PubMed

    Leuzzi, L; Parisi, G; Ricci-Tersenghi, F; Ruiz-Lorenzo, J J

    2009-12-31

    The spin-glass transition in a magnetic field is studied both in and out of the limit of validity of mean-field theory on a diluted one dimensional chain of Ising spins where exchange bonds occur with a probability decaying as the inverse power of the distance. Varying the power in this long-range model corresponds, in a one-to-one relationship, to changing the dimension in spin-glass short-range models. Evidence for a spin-glass transition in a magnetic field is found also for systems whose equivalent dimension is below the upper critical dimension in a zero magnetic field.

  10. Light cone in the two-dimensional transverse-field Ising model in time-dependent mean-field theory

    NASA Astrophysics Data System (ADS)

    Hafner, J.; Blass, B.; Rieger, H.

    2016-12-01

    We investigate the propagation of a local perturbation in the two-dimensional transverse-field Ising model with a time-dependent application of the mean-field theory based on the BBGKY hierarchy. We show that the perturbation propagates through the system with a finite velocity and that there is a transition from Manhattan to Euclidian metric, resulting in a light cone with an almost circular shape at sufficiently large distances. The propagation velocity of the perturbation defining the front of the light cone is discussed with respect to the parameters of the Hamiltonian and compared to exact results for the transverse-field Ising model in one dimension.

  11. Studies of 44Ti and 48Cr Nuclei Within Variational Mean Field Theory

    NASA Astrophysics Data System (ADS)

    Roy, Prianka; Dhiman, Shashi K.

    We have studied the nuclear structure properties of high angular momentum states in N = Z, 44Ti, and 48Cr nuclei by using Hartree-Fock-Bogoliubov (HFB) method with variation after angular momentum projection (VAP-HFB) technique. Effect of Kuo-Brown "KB" and its modified effective interactions has been studied using four sets of single-particle energies (SPEs) on rotational bands of these nuclei. It is seen that the HFB theory with projected wave functions by employing the VAP method describes well the overall trends of the experimental yrast level spectrum and the transition probabilities in these nuclei. The backbending of the 48Cr nucleus has been well reproduced by the present VAP-HFB calculations with the original "KB" effective interaction at J = 12ℏ. The modified effective interaction also gives backbending for 48Cr but at J = 10ℏ. The shape change associated with backbending effect in 48Cr is due to the large decrease in B(E2↓) values beyond J = 12ℏ state.

  12. Nonlinear theory of a "shear-current" effect and mean-field magnetic dynamos.

    PubMed

    Rogachevskii, Igor; Kleeorin, Nathan

    2004-10-01

    The nonlinear theory of a "shear-current" effect in a nonrotating and nonhelical homogeneous turbulence with an imposed mean velocity shear is developed. The shear-current effect is associated with the W x J term in the mean electromotive force and causes the generation of the mean magnetic field even in a nonrotating and nonhelical homogeneous turbulence (where W is the mean vorticity and J is the mean electric current). It is found that there is no quenching of the nonlinear shear-current effect contrary to the quenching of the nonlinear alpha effect, the nonlinear turbulent magnetic diffusion, etc. During the nonlinear growth of the mean magnetic field, the shear-current effect only changes its sign at some value B (*) of the mean magnetic field. The magnitude B (*) determines the level of the saturated mean magnetic field which is less than the equipartition field. It is shown that the background magnetic fluctuations due to the small-scale dynamo enhance the shear-current effect and reduce the magnitude B (*) . When the level of the background magnetic fluctuations is larger than 1/3 of the kinetic energy of the turbulence, the mean magnetic field can be generated due to the shear-current effect for an arbitrary exponent of the energy spectrum of the velocity fluctuations.

  13. Analysis of surface segregation in polymer mixtures: A combination of mean field and statistical associated fluid theories

    NASA Astrophysics Data System (ADS)

    Krawczyk, Jaroslaw; Croce, Salvatore; Chakrabarti, Buddhapriya; Tasche, Jos

    The surface segregation in polymer mixtures remains a challenging problem for both academic exploration as well as industrial applications. Despite its ubiquity and several theoretical attempts a good agreement between computed and experimentally observed profiles has not yet been achieved. A simple theoretical model proposed in this context by Schmidt and Binder combines Flory-Huggins free energy of mixing with the square gradient theory of wetting of a wall by fluid. While the theory gives us a qualitative understanding of the surface induced segregation and the surface enrichment it lacks the quantitative comparison with the experiment. The statistical associating fluid theory (SAFT) allows us to calculate accurate free energy for a real polymeric materials. In an earlier work we had shown that increasing the bulk modulus of a polymer matrix through which small molecules migrate to the free surface causes reduction in the surface migrant fraction using Schmidt-Binder and self-consistent field theories. In this work we validate this idea by combining mean field theories and SAFT to identify parameter ranges where such an effect should be observable. Department of Molecular Physics, Łódź University of Technology, Żeromskiego 116, 90-924 Łódź, Poland.

  14. The spectrum of random magnetic fields in the mean field dynamo theory of the Galactic magnetic field

    NASA Technical Reports Server (NTRS)

    Kulsrud, Russell M.; Anderson, Stephen W.

    1992-01-01

    The fluctuation spectrum that must arise in a mean field dynamo generation of galactic fields if the initial field is weak is considered. A kinetic equation for its evolution is derived and solved. The spectrum evolves by transfer of energy from one magnetic mode to another by interaction with turbulent velocity modes. This kinetic equation is valid in the limit that the rate of evolution of the magnetic modes is slower than the reciprocal decorrelation time of the turbulent modes. This turns out to be the case by a factor greater than 3. Most of the fluctuation energy concentrates on small scales, shorter than the hydrodynamic turbulent scales. The fluctuation energy builds up to equipartition with the turbulent energy in times that are short compared to the e-folding time of the mean field. The turbulence becomes strongly modified before the dynamo amplification starts. Thus, the kinematic assumption of the mean dynamo theory is invalid. Thus, the galactic field must have a primordial origin, although it may subsequently be modified by dynamo action.

  15. Hopping on the Bethe lattice: Exact results for densities of states and dynamical mean-field theory

    NASA Astrophysics Data System (ADS)

    Eckstein, Martin; Kollar, Marcus; Byczuk, Krzysztof; Vollhardt, Dieter

    2005-06-01

    We derive an operator identity which relates tight-binding Hamiltonians with arbitrary hopping on the Bethe lattice to the Hamiltonian with nearest-neighbor hopping. This provides an exact expression for the density of states (DOS) of a noninteracting quantum-mechanical particle for any hopping. We present analytic results for the DOS corresponding to hopping between nearest and next-nearest neighbors, and also for exponentially decreasing hopping amplitudes. Conversely it is possible to construct a hopping Hamiltonian on the Bethe lattice for any given DOS. These methods are based only on the so-called distance regularity of the infinite Bethe lattice, and not on the absence of loops. Results are also obtained for the triangular Husimi cactus, a recursive lattice with loops. Furthermore we derive the exact self-consistency equations arising in the context of dynamical mean-field theory, which serve as a starting point for studies of Hubbard-type models with frustration.

  16. Self-consistent mean field theory studies of the thermodynamics and quantum spin dynamics of magnetic Skyrmions.

    PubMed

    Wieser, R

    2017-05-04

    A self-consistent mean field theory is introduced and used to investigate the thermodynamics and spin dynamics of an S  =  1 quantum spin system with a magnetic Skyrmion. The temperature dependence of the Skyrmion profile as well as the phase diagram are calculated. In addition, the spin dynamics of a magnetic Skyrmion is described by solving the time dependent Schrödinger equation with additional damping term. The Skyrmion annihilation process driven by an electric field is used to compare the trajectories of the quantum mechanical simulation with a semi-classical description for the spin expectation values using a differential equation similar to the classical Landau-Lifshitz-Gilbert equation.

  17. A dynamic mean field theory for dissipative interacting many-electron systems: Markovian formalism and its implementation.

    PubMed

    Yokojima, Satoshi; Chen, Guanhua; Xu, Ruixue; Yan, Yijing

    2003-12-01

    To demonstrate its applicability for realistic open systems, we apply the dynamic mean field quantum dissipative theory to simulate the photo-induced excitation and nonradiative decay of an embedded butadiene molecule. The Markovian approximation is adopted to further reduce the computational time, and the resulting Markovian formulation assumes a variation of Lindblad's semigroup form, which is shown to be numerically stable. In the calculation, all 22 valence electrons in the butadiene molecule are taken as the system and treated explicitly while the nuclei of the molecules are taken as the immediate bath of the system. It is observed that (1) various excitations decay differently, which leads to different peak widths in the absorption spectra; and (2) the temperature dependences of nonradiative decay rates are distinct for various excitations, which can be explained by the different electron-phonon couplings.

  18. Adapting Poisson-Boltzmann to the self-consistent mean field theory: Application to protein side-chain modeling

    NASA Astrophysics Data System (ADS)

    Koehl, Patrice; Orland, Henri; Delarue, Marc

    2011-08-01

    We present an extension of the self-consistent mean field theory for protein side-chain modeling in which solvation effects are included based on the Poisson-Boltzmann (PB) theory. In this approach, the protein is represented with multiple copies of its side chains. Each copy is assigned a weight that is refined iteratively based on the mean field energy generated by the rest of the protein, until self-consistency is reached. At each cycle, the variational free energy of the multi-copy system is computed; this free energy includes the internal energy of the protein that accounts for vdW and electrostatics interactions and a solvation free energy term that is computed using the PB equation. The method converges in only a few cycles and takes only minutes of central processing unit time on a commodity personal computer. The predicted conformation of each residue is then set to be its copy with the highest weight after convergence. We have tested this method on a database of hundred highly refined NMR structures to circumvent the problems of crystal packing inherent to x-ray structures. The use of the PB-derived solvation free energy significantly improves prediction accuracy for surface side chains. For example, the prediction accuracies for χ1 for surface cysteine, serine, and threonine residues improve from 68%, 35%, and 43% to 80%, 53%, and 57%, respectively. A comparison with other side-chain prediction algorithms demonstrates that our approach is consistently better in predicting the conformations of exposed side chains.

  19. Adapting Poisson-Boltzmann to the self-consistent mean field theory: application to protein side-chain modeling.

    PubMed

    Koehl, Patrice; Orland, Henri; Delarue, Marc

    2011-08-07

    We present an extension of the self-consistent mean field theory for protein side-chain modeling in which solvation effects are included based on the Poisson-Boltzmann (PB) theory. In this approach, the protein is represented with multiple copies of its side chains. Each copy is assigned a weight that is refined iteratively based on the mean field energy generated by the rest of the protein, until self-consistency is reached. At each cycle, the variational free energy of the multi-copy system is computed; this free energy includes the internal energy of the protein that accounts for vdW and electrostatics interactions and a solvation free energy term that is computed using the PB equation. The method converges in only a few cycles and takes only minutes of central processing unit time on a commodity personal computer. The predicted conformation of each residue is then set to be its copy with the highest weight after convergence. We have tested this method on a database of hundred highly refined NMR structures to circumvent the problems of crystal packing inherent to x-ray structures. The use of the PB-derived solvation free energy significantly improves prediction accuracy for surface side chains. For example, the prediction accuracies for χ(1) for surface cysteine, serine, and threonine residues improve from 68%, 35%, and 43% to 80%, 53%, and 57%, respectively. A comparison with other side-chain prediction algorithms demonstrates that our approach is consistently better in predicting the conformations of exposed side chains.

  20. Adapting Poisson-Boltzmann to the self-consistent mean field theory: Application to protein side-chain modeling

    PubMed Central

    Koehl, Patrice; Orland, Henri; Delarue, Marc

    2011-01-01

    We present an extension of the self-consistent mean field theory for protein side-chain modeling in which solvation effects are included based on the Poisson-Boltzmann (PB) theory. In this approach, the protein is represented with multiple copies of its side chains. Each copy is assigned a weight that is refined iteratively based on the mean field energy generated by the rest of the protein, until self-consistency is reached. At each cycle, the variational free energy of the multi-copy system is computed; this free energy includes the internal energy of the protein that accounts for vdW and electrostatics interactions and a solvation free energy term that is computed using the PB equation. The method converges in only a few cycles and takes only minutes of central processing unit time on a commodity personal computer. The predicted conformation of each residue is then set to be its copy with the highest weight after convergence. We have tested this method on a database of hundred highly refined NMR structures to circumvent the problems of crystal packing inherent to x-ray structures. The use of the PB-derived solvation free energy significantly improves prediction accuracy for surface side chains. For example, the prediction accuracies for χ1 for surface cysteine, serine, and threonine residues improve from 68%, 35%, and 43% to 80%, 53%, and 57%, respectively. A comparison with other side-chain prediction algorithms demonstrates that our approach is consistently better in predicting the conformations of exposed side chains. PMID:21823735

  1. Surface tension of binary liquid-vapor mixtures: A comparison of mean-field and scaling theories

    NASA Astrophysics Data System (ADS)

    Sahimi, Muhammad; Taylor, Byron N.

    1991-11-01

    We use two different methods to estimate surface tension of binary liquid-vapor mixtures of CO2 and a hydrocarbon near a critical point. The first method is based on the gradient theory, which is essentially a mean-field approximation to the problem that reduces the determination of the interface's structure and the surface tension to a boundary value problem. The theory's input is an equation of state of homogeneous fluid and the influence parameters of inhomogeneous fluid. The Peng-Robinson equation and a modification of it are used as the equation of state of homogeneous fluid. The second method is based on the concept of two-scale-factor universality which can predict the surface tension from the singularity in the thermodynamic properties of the bulk fluid. The inputs of the method are an equation of state and certain universal amplitude ratios near the critical point. As the equation of state, we use a modification of a model first proposed by Leung and Griffiths, and further developed by Moldover, Rainwater, and co-workers. We use the two models to examine in detail CO2+n -butane and CO2+n -decane mixtures. While both models provide accurate estimates of surface tension of CO2+n -butane mixtures, only the gradient theory can predict accurately surface tension of CO2+n -decane mixtures. Moreover, while the gradient theory and the Peng-Robinson equation of state use very few adjustable parameters (at most three parameters), calculation of surface tension based on two-scale-factor universality and the corresponding equation of state requires many adjustable parameters whose number has to be increased dramatically as the fluid mixture becomes more complex. We then use the gradient theory to predict surface tension of binary liquid-vapor mixtures of CO2 and benzene, cyclohexane, and n-hexadecane. In all cases, the predictions of the gradient theory are in good agreement with the available experimental data.

  2. Mean-field theory and fluctuation spectrum of a pumped decaying Bose-Fermi system across the quantum condensation transition

    NASA Astrophysics Data System (ADS)

    Szymańska, M. H.; Keeling, J.; Littlewood, P. B.

    2007-05-01

    We study the mean-field theory, and the properties of fluctuations, in an out of equilibrium Bose-Fermi system, across the transition to a quantum condensed phase. The system is driven out of equilibrium by coupling to multiple baths, which are not in equilibrium with each other, and thus drive a flux of particles through the system. We derive the self-consistency condition for a uniform condensed steady state. This condition can be compared both to the laser rate equation and to the Gross-Pitaevskii equation of an equilibrium condensate. We study fluctuations about the steady state and discuss how the multiple baths interact to set the system’s distribution function. In the condensed system, there is a soft phase (Bogoliubov, Goldstone) mode, diffusive at small momenta due to the presence of pump and decay, and we discuss how one may determine the field-field correlation functions properly including such soft phase modes. In the infinite system, the correlation functions differ both from the laser and from an equilibrium condensate; we discuss how in a finite system, the laser limit may be recovered.

  3. Generalized potentials for a mean-field density functional theory of a three-phase contact line

    NASA Astrophysics Data System (ADS)

    Lin, Chang-You; Widom, Michael; Sekerka, Robert F.

    2013-07-01

    We investigate generalized potentials for a mean-field density functional theory of a three-phase contact line. Compared to the symmetrical potential introduced in our previous article [Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.85.011120 85, 011120 (2012)], the three minima of these potentials form a small triangle located arbitrarily within the Gibbs triangle, which is more realistic for ternary fluid systems. We multiply linear functions that vanish at edges and vertices of the small triangle, yielding potentials in the form of quartic polynomials. We find that a subset of such potentials has simple analytic far-field solutions and is a linear transformation of our original potential. By scaling, we can relate their solutions to those of our original potential. For special cases, the lengths of the sides of the small triangle are proportional to the corresponding interfacial tensions. For the case of equal interfacial tensions, we calculate a line tension that is proportional to the area of the small triangle.

  4. Fine structure of the spectra of the Kondo lattice model: Two-site cellular dynamical mean-field theory study

    NASA Astrophysics Data System (ADS)

    Osolin, Žiga; Žitko, Rok

    2017-01-01

    We study the antiferromagnetic and paramagnetic Kondo insulator phases of the Kondo lattice model on the cubic lattice at half filling using the cellular dynamical mean-field theory (CDMFT) with the numerical renormalization group (NRG) as the impurity solver, focusing on the fine details of the spectral function and self-energy. We find that the nonlocal correlations increase the gap in both the antiferromagnetic and Kondo insulator phases and shrink the extent of the antiferromagnetic phase in the phase diagram but do not alter any properties qualitatively. The agreement between the numerical CDMFT results and those within a simple hybridization picture, which adequately describes the overall band structure of the system but neglects all effects on the inelastic-scattering processes, is similar to that of the single-site DMFT results; there are deviations that are responsible for the additional fine structure, in particular for the asymmetric spectral resonances or dips that become more pronounced in the strong-coupling regime close to the antiferromagnet-paramagnetic quantum phase transition. These features appear broader in the CDMFT mostly due to numerical artifacts linked to more aggressive state truncation required in the NRG.

  5. Kinetic phase transitions in a surface-reaction model with diffusion: Computer simulations and mean-field theory

    NASA Astrophysics Data System (ADS)

    Jensen, Iwan; Fogedby, Hans C.

    1990-08-01

    A simple surface-reaction model based upon the oxidation of carbon monoxide on a catalytic surface, introduced by Ziff, Gulari, and Barshad (ZGB) [Phys. Rev. Lett. 56, 2553 (1986)], has been extended in order to include diffusion of the adsorbed particles (both O and CO). The ZGB model is a nonequilibrium model exhibiting both a first- and a second-order phase transition. The effects of diffusion on the behavior of the model has been explored by means of computer simulations. The main effect of diffusion is to change the positions of the phase transitions and increase the rate of CO2 formation. Fast diffusion causes the second-order transition to disappear from the system. Simple explanations of these changes are given. The extended version of the ZGB model has furthermore been studied by mean-field theory in the pair approximation. This approach gives qualitatively correct predictions about the effects of diffusion and yields quantitative predictions in good agreement with simulation results in the vicinity of the first-order transition.

  6. Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd

    SciTech Connect

    McMahan, A K

    2005-03-30

    This paper reports calculations for compressed Ce (4f{sup 1}), Pr (4f{sup 2}), and Nd (4f{sup 3}) using a combination of the local-density approximation (LDA) and dynamical mean field theory (DMFT), or LDA+DMFT. The 4f moment, spectra, and the total energy among other properties are examined as functions of volume and atomic number for an assumed face-centered cubic (fcc) structure. These materials are seen to be strongly localized at ambient pressure and for compressions up through the experimentally observed fcc phases ({gamma} phase for Ce), in the sense of having fully formed Hund's rules moments and little 4f spectral weight at the Fermi level. Subsequent compression for all three lanthanides brings about significant deviation of the moments from their Hund's rules values, a growing Kondo resonance at the fermi level, an associated softening in the total energy, and quenching of the spin orbit since the Kondo resonance is of mixed spin-orbit character while the lower Hubbard band is predominantly j = 5/2. while the most dramatic changes for Ce occur within the two-phase region of the {gamma}-{alpha} volume collapse transition, as found in earlier work, those for Pr and Nd occur within the volume range of the experimentally observed distorted fcc (dfcc) phase, which is therefore seen here as transitional and not part of the localized trivalent lanthanide sequence. The experimentally observed collapse to the {alpha}-U structure in Pr occurs only on further compression, and no such collapse is found in Nd. These lanthanides start closer to the localized limit for increasing atomic number, and so the theoretical signatures noted above are also offset to smaller volume as well, which is possibly related to the measured systematics of the size of the volume collapse being 15%, 9%, and none for Ce, Pr, and Nd, respectively.

  7. Tetragonal and collapsed-tetragonal phases of CaFe2As2 : A view from angle-resolved photoemission and dynamical mean-field theory

    NASA Astrophysics Data System (ADS)

    van Roekeghem, Ambroise; Richard, Pierre; Shi, Xun; Wu, Shangfei; Zeng, Lingkun; Saparov, Bayrammurad; Ohtsubo, Yoshiyuki; Qian, Tian; Sefat, Athena S.; Biermann, Silke; Ding, Hong

    2016-06-01

    We present a study of the tetragonal to collapsed-tetragonal transition of CaFe2As2 using angle-resolved photoemission spectroscopy and dynamical mean field theory-based electronic structure calculations. We observe that the collapsed-tetragonal phase exhibits reduced correlations and a higher coherence temperature due to the stronger Fe-As hybridization. Furthermore, a comparison of measured photoemission spectra and theoretical spectral functions shows that momentum-dependent corrections to the density functional band structure are essential for the description of low-energy quasiparticle dispersions. We introduce those using the recently proposed combined "screened exchange + dynamical mean field theory" scheme.

  8. Comparison of computer-algebra strong-coupling perturbation theory and dynamical mean-field theory for the Mott-Hubbard insulator in high dimensions

    NASA Astrophysics Data System (ADS)

    Paech, Martin; Apel, Walter; Kalinowski, Eva; Jeckelmann, Eric

    2014-12-01

    We present a large-scale combinatorial-diagrammatic computation of high-order contributions to the strong-coupling Kato-Takahashi perturbation series for the Hubbard model in high dimensions. The ground-state energy of the Mott-insulating phase is determined exactly up to the 15th order in 1 /U . The perturbation expansion is extrapolated to infinite order and the critical behavior is determined using the Domb-Sykes method. We compare the perturbative results with two dynamical mean-field theory (DMFT) calculations using a quantum Monte Carlo method and a density-matrix renormalization group method as impurity solvers. The comparison demonstrates the excellent agreement and accuracy of both extrapolated strong-coupling perturbation theory and quantum Monte Carlo based DMFT, even close to the critical coupling where the Mott insulator becomes unstable.

  9. Slave-boson mean-field theory versus variational-wave-function approach for the periodic Anderson model

    NASA Astrophysics Data System (ADS)

    Yang, Min-Fong; Sun, Shih-Jye; Hong, Tzay-Ming

    1993-12-01

    We show that a special kind of slave-boson mean-field approximation, which allows for the symmetry-broken states appropriate for a bipartite lattice, can give essentially the same results as those by the variational-wave-function approach proposed by Gula´csi, Strack, and Vollhardt [Phys. Rev. B 47, 8594 (1993)]. The advantages of our approach are briefly discussed.

  10. Mean-Field Theories for Terrace-Width Distributions of Vicinal Surfaces: Beyond the Generalized Wigner Distribution

    NASA Astrophysics Data System (ADS)

    Richards, Howard L.; Einstein, T. L.

    2000-03-01

    The so-called generalized Wigner distribution (GWD) has been shown to provide an excellent description of terrace width distributions (TWDs) on vicinal surfaces for which there are repulsive interactions between steps that are proportional to the inverse square of the step separation.(T. L. Einstein and O. Pierre-Louis, Surface Sci. 424), L299 (1999). (S. D. Cohen, H. L. Richards, and T. L. Einstein, preprint.) Until recently, however, there was no plausible physical explanation for the excellent agreement between the GWD and the TWDs observed in Monte Carlo simulations^3 or derived from a few integrable models.^2 Here we show that the GWD can be derived from a mean-field approximation similar in spirit to the Gruber-Mullins approximation.(E. E. Gruber and W. W. Mullins, J. Phys. Chem. Solids 28), 875 (1967) This mean-field treatment can be generalized to other forms of step-step repulsions; the resulting predictions are in good agreement with Monte Carlo simulations. Finally, the process can be inverted to allow nontrivial step-step interactions to be extracted from experimental TWDs.

  11. Investigation of the Mg isotopes using the shell-model-like approach in relativistic mean field theory

    NASA Astrophysics Data System (ADS)

    Bai, Hong-Bo; Zhang, Zhen-Hua; Li, Xiao-Wei

    2016-11-01

    Ground state properties for Mg isotopes, including binding energies, one- and two-neutron separation energies, pairing energies, nuclear matter radii and quadrupole deformation parameters, are obtained from the self-consistent relativistic mean field (RMF) model with the pairing correlations treated by a shell-mode-like approach (SLAP), in which the particle-number is conserved and the blocking effects are treated exactly. The experimental data, including the binding energies and the one- and two-neutron separation energies, which are sensitive to the treatment of pairing correlations and block effects, are well reproduced by the RMF+SLAP calculations. Supported by NSFC (11465001,11275098, 11275248, 11505058,11165001) and Natural Science Foundation of Inner Mongolia of China (2016BS0102)

  12. Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles

    SciTech Connect

    Speck, Thomas; Menzel, Andreas M.; Bialké, Julian; Löwen, Hartmut

    2015-06-14

    Recently, we have derived an effective Cahn-Hilliard equation for the phase separation dynamics of active Brownian particles by performing a weakly non-linear analysis of the effective hydrodynamic equations for density and polarization [Speck et al., Phys. Rev. Lett. 112, 218304 (2014)]. Here, we develop and explore this strategy in more detail and show explicitly how to get to such a large-scale, mean-field description starting from the microscopic dynamics. The effective free energy emerging from this approach has the form of a conventional Ginzburg-Landau function. On the coarsest scale, our results thus agree with the mapping of active phase separation onto that of passive fluids with attractive interactions through a global effective free energy (motility-induced phase transition). Particular attention is paid to the square-gradient term necessary for the phase separation kinetics. We finally discuss results from numerical simulations corroborating the analytical results.

  13. Dynamic mean field theory for lattice gas models of fluids confined in porous materials: higher order theory based on the Bethe-Peierls and path probability method approximations.

    PubMed

    Edison, John R; Monson, Peter A

    2014-07-14

    Recently we have developed a dynamic mean field theory (DMFT) for lattice gas models of fluids in porous materials [P. A. Monson, J. Chem. Phys. 128(8), 084701 (2008)]. The theory can be used to describe the relaxation processes in the approach to equilibrium or metastable states for fluids in pores and is especially useful for studying system exhibiting adsorption/desorption hysteresis. In this paper we discuss the extension of the theory to higher order by means of the path probability method (PPM) of Kikuchi and co-workers. We show that this leads to a treatment of the dynamics that is consistent with thermodynamics coming from the Bethe-Peierls or Quasi-Chemical approximation for the equilibrium or metastable equilibrium states of the lattice model. We compare the results from the PPM with those from DMFT and from dynamic Monte Carlo simulations. We find that the predictions from PPM are qualitatively similar to those from DMFT but give somewhat improved quantitative accuracy, in part due to the superior treatment of the underlying thermodynamics. This comes at the cost of greater computational expense associated with the larger number of equations that must be solved.

  14. Dynamic mean field theory for lattice gas models of fluids confined in porous materials: Higher order theory based on the Bethe-Peierls and path probability method approximations

    SciTech Connect

    Edison, John R.; Monson, Peter A.

    2014-07-14

    Recently we have developed a dynamic mean field theory (DMFT) for lattice gas models of fluids in porous materials [P. A. Monson, J. Chem. Phys. 128(8), 084701 (2008)]. The theory can be used to describe the relaxation processes in the approach to equilibrium or metastable states for fluids in pores and is especially useful for studying system exhibiting adsorption/desorption hysteresis. In this paper we discuss the extension of the theory to higher order by means of the path probability method (PPM) of Kikuchi and co-workers. We show that this leads to a treatment of the dynamics that is consistent with thermodynamics coming from the Bethe-Peierls or Quasi-Chemical approximation for the equilibrium or metastable equilibrium states of the lattice model. We compare the results from the PPM with those from DMFT and from dynamic Monte Carlo simulations. We find that the predictions from PPM are qualitatively similar to those from DMFT but give somewhat improved quantitative accuracy, in part due to the superior treatment of the underlying thermodynamics. This comes at the cost of greater computational expense associated with the larger number of equations that must be solved.

  15. Two-particle response in cluster dynamical mean-field theory: formalism and application to the Raman response of high-temperature superconductors.

    PubMed

    Lin, Nan; Gull, Emanuel; Millis, Andrew J

    2012-09-07

    A method is presented for the unbiased numerical computation of two-particle response functions of correlated electron materials via a solution of the dynamical mean-field equations in the presence of a perturbing field. The power of the method is demonstrated via a computation of the Raman B(1g) and B(2g) scattering intensities of the two-dimensional Hubbard model in parameter regimes believed to be relevant to high-temperature superconductivity. The theory reproduces the "two-magnon" peak characteristic of the Raman intensity of insulating parent compounds of high-T(c) copper oxide superconductors, and shows how it evolves to a quasiparticle response, as carriers are added. The method can be applied in any situation where a solution of equilibrium dynamical mean-field equations is feasible.

  16. Equivalence between fractional exclusion statistics and self-consistent mean-field theory in interacting-particle systems in any number of dimensions.

    PubMed

    Anghel, D V; Nemnes, G A; Gulminelli, F

    2013-10-01

    We describe a mean field interacting particle system in any number of dimensions and in a generic external potential as an ideal gas with fractional exclusion statistics (FES). We define the FES quasiparticle energies, we calculate the FES parameters of the system and we deduce the equations for the equilibrium particle populations. The FES gas is "ideal," in the sense that the quasiparticle energies do not depend on the other quasiparticle levels' populations and the sum of the quasiparticle energies is equal to the total energy of the system. We prove that the FES formalism is equivalent to the semiclassical or Thomas Fermi limit of the self-consistent mean-field theory and the FES quasiparticle populations may be calculated from the Landau quasiparticle populations by making the correspondence between the FES and the Landau quasiparticle energies. The FES provides a natural semiclassical ideal gas description of the interacting particle gas.

  17. Comparison of the order of magnetic phase transitions in several magnetocaloric materials using the rescaled universal curve, Banerjee and mean field theory criteria

    SciTech Connect

    Burrola-Gándara, L. A. Santillan-Rodriguez, C. R.; Rivera-Gomez, F. J.; Saenz-Hernandez, R. J.; Botello-Zubiate, M. E.; Matutes-Aquino, J. A.

    2015-05-07

    Magnetocaloric materials with second order phase transition near the Curie temperature can be described by critical phenomena theory. In this theory, scaling, universality, and renormalization are key concepts from which several phase transition order criteria are derived. In this work, the rescaled universal curve, Banerjee and mean field theory criteria were used to make a comparison for several magnetocaloric materials including pure Gd, SmCo{sub 1.8}Fe{sub 0.2}, MnFeP{sub 0.46}As{sub 0.54}, and La{sub 0.7}Ca{sub 0.15}Sr{sub 0.15}MnO{sub 3}. Pure Gd, SmCo{sub 1.8}Fe{sub 0.2}, and La{sub 0.7}Ca{sub 0.15}Sr{sub 0.15}MnO{sub 3} present a collapse of the rescaled magnetic entropy change curves into a universal curve, which indicates a second order phase transition; applying Banerjee criterion to H/σ vs σ{sup 2} Arrot plots and the mean field theory relation |ΔS{sub M}| ∝ (μ{sub 0}H/T{sub c}){sup 2/3} for the same materials also determines a second order phase transition. However, in the MnFeP{sub 0.46}As{sub 0.54} sample, the Banerjee criterion applied to the H/σ vs σ{sup 2} Arrot plot indicates a first order magnetic phase transition, while the mean field theory prediction for a second order phase transition, |ΔS{sub M}| ∝ (μ{sub 0}H/T{sub c}){sup 2/3}, describes a second order behavior. Also, a mixture of first and second order behavior was indicated by the rescaled universal curve criterion. The diverse results obtained for each criterion in MnFeP{sub 0.46}As{sub 0.54} are apparently related to the magnetoelastic effect and to the simultaneous presence of weak and strong magnetism in Fe (3f) and Mn (3g) alternate atomic layers, respectively. The simultaneous application of the universal curve, the Banerjee and the mean field theory criteria has allowed a better understanding about the nature of the order of the phase transitions in different magnetocaloric materials.

  18. Comparison of the order of magnetic phase transitions in several magnetocaloric materials using the rescaled universal curve, Banerjee and mean field theory criteria

    NASA Astrophysics Data System (ADS)

    Burrola-Gándara, L. A.; Santillan-Rodriguez, C. R.; Rivera-Gomez, F. J.; Saenz-Hernandez, R. J.; Botello-Zubiate, M. E.; Matutes-Aquino, J. A.

    2015-05-01

    Magnetocaloric materials with second order phase transition near the Curie temperature can be described by critical phenomena theory. In this theory, scaling, universality, and renormalization are key concepts from which several phase transition order criteria are derived. In this work, the rescaled universal curve, Banerjee and mean field theory criteria were used to make a comparison for several magnetocaloric materials including pure Gd, SmCo1.8Fe0.2, MnFeP0.46As0.54, and La0.7Ca0.15Sr0.15MnO3. Pure Gd, SmCo1.8Fe0.2, and La0.7Ca0.15Sr0.15MnO3 present a collapse of the rescaled magnetic entropy change curves into a universal curve, which indicates a second order phase transition; applying Banerjee criterion to H/σ vs σ2 Arrot plots and the mean field theory relation |ΔSM| ∝ (μ0H/Tc)2/3 for the same materials also determines a second order phase transition. However, in the MnFeP0.46As0.54 sample, the Banerjee criterion applied to the H/σ vs σ2 Arrot plot indicates a first order magnetic phase transition, while the mean field theory prediction for a second order phase transition, |ΔSM| ∝ (μ0H/Tc)2/3, describes a second order behavior. Also, a mixture of first and second order behavior was indicated by the rescaled universal curve criterion. The diverse results obtained for each criterion in MnFeP0.46As0.54 are apparently related to the magnetoelastic effect and to the simultaneous presence of weak and strong magnetism in Fe (3f) and Mn (3g) alternate atomic layers, respectively. The simultaneous application of the universal curve, the Banerjee and the mean field theory criteria has allowed a better understanding about the nature of the order of the phase transitions in different magnetocaloric materials.

  19. Interface-roughening phase diagram of the three-dimensional Ising model for all interaction anisotropies from hard-spin mean-field theory.

    PubMed

    Cağlar, Tolga; Berker, A Nihat

    2011-11-01

    The roughening phase diagram of the d=3 Ising model with uniaxially anisotropic interactions is calculated for the entire range of anisotropy, from decoupled planes to the isotropic model to the solid-on-solid model, using hard-spin mean-field theory. The phase diagram contains the line of ordering phase transitions and, at lower temperatures, the line of roughening phase transitions, where the interface between ordered domains roughens. Upon increasing the anisotropy, roughening transition temperatures settle after the isotropic case, whereas the ordering transition temperature increases to infinity. The calculation is repeated for the d=2 Ising model for the full range of anisotropy, yielding no roughening transition.

  20. Long-range Coulomb interactions in surface systems: a first-principles description within self-consistently combined GW and dynamical mean-field theory.

    PubMed

    Hansmann, P; Ayral, T; Vaugier, L; Werner, P; Biermann, S

    2013-04-19

    Systems of adatoms on semiconductor surfaces display competing ground states and exotic spectral properties typical of two-dimensional correlated electron materials which are dominated by a complex interplay of spin and charge degrees of freedom. We report a fully ab initio derivation of low-energy Hamiltonians for the adatom systems Si(111):X, with X=Sn, Si, C, Pb, that we solve within self-consistently combined GW and dynamical mean-field theory. Calculated photoemission spectra are in agreement with available experimental data. We rationalize experimentally observed trends from Mott physics toward charge ordering along the series as resulting from substantial long-range interactions.

  1. The effective dielectric constant of plasmas - A mean field theory built from the electromagnetic ionic T-matrix

    SciTech Connect

    Niez, Jean-Jacques

    2010-08-15

    This work aims to obtain the effective dielectric constant tensor of a warm plasma in the spirit of the derivation of a mixing law. The medium is made of non point-like ions immersed in an electron gas with usual conditions relating the various lengths which define the problem. In this paper the ion dielectric constants are taken from their RPA responses as developed in a previous paper [1]. Furthermore the treatment of the screening effects is made through a mathematical redefinition of the initial problem as proposed in Ref. [1]. Here the complete calculation of the T-matrix describing the scattering of an electromagnetic wave on an isolated ion immersed in an 'effective medium' is given. It is used for building , in the spirit of a mixing law, a self-consistent effective medium theory for the plasma dielectric tensor. We then extend the results obtained in Ref. [1] to higher orders in ion or dielectric inclusion densities. The techniques presented are generic and can be used in areas such as elasticity, thermoelasticity, and piezoelectricity.

  2. Dynamics of capillary condensation in lattice gas models of confined fluids: a comparison of dynamic mean field theory with dynamic Monte Carlo simulations.

    PubMed

    Edison, John R; Monson, Peter A

    2013-06-21

    This article addresses the accuracy of a dynamic mean field theory (DMFT) for fluids in porous materials [P. A. Monson, J. Chem. Phys. 128, 084701 (2008)]. The theory is used to study the relaxation processes of fluids in pores driven by step changes made to a bulk reservoir in contact with the pore. We compare the results of the DMFT to those obtained by averaging over large numbers of dynamic Monte Carlo (DMC) simulation trajectories. The problem chosen for comparison is capillary condensation in slit pores, driven by step changes in the chemical potential in the bulk reservoir and involving a nucleation process via the formation of a liquid bridge. The principal difference between the DMFT results and DMC is the replacement of a distribution of nucleation times and location along the pore for the formation of liquid bridges by a single time and location. DMFT is seen to yield an otherwise qualitatively accurate description of the dynamic behavior.

  3. Mean-field density functional theory of a nanoconfined classical, three-dimensional Heisenberg fluid. I. The role of molecular anchoring

    NASA Astrophysics Data System (ADS)

    Cattes, Stefanie M.; Gubbins, Keith E.; Schoen, Martin

    2016-05-01

    In this work, we employ classical density functional theory (DFT) to investigate for the first time equilibrium properties of a Heisenberg fluid confined to nanoscopic slit pores of variable width. Within DFT pair correlations are treated at modified mean-field level. We consider three types of walls: hard ones, where the fluid-wall potential becomes infinite upon molecular contact but vanishes otherwise, and hard walls with superimposed short-range attraction with and without explicit orientation dependence. To model the distance dependence of the attractions, we employ a Yukawa potential. The orientation dependence is realized through anchoring of molecules at the substrates, i.e., an energetic discrimination of specific molecular orientations. If the walls are hard or attractive without specific anchoring, the results are "quasi-bulk"-like in that they can be linked to a confinement-induced reduction of the bulk mean field. In these cases, the precise nature of the walls is completely irrelevant at coexistence. Only for specific anchoring nontrivial features arise, because then the fluid-wall interaction potential affects the orientation distribution function in a nontrivial way and thus appears explicitly in the Euler-Lagrange equations to be solved for minima of the grand potential of coexisting phases.

  4. Dynamical screening effects in correlated electron materials-a progress report on combined many-body perturbation and dynamical mean field theory: 'GW + DMFT'.

    PubMed

    Biermann, Silke

    2014-04-30

    We give a summary of recent progress in the field of electronic structure calculations for materials with strong electronic Coulomb correlations. The discussion focuses on developments beyond the by now well established combination of density functional and dynamical mean field theory dubbed 'LDA + DMFT'. It is organized around the description of dynamical screening effects in the solid. Indeed, screening in the solid gives rise to dynamical local Coulomb interactions U(ω) (Aryasetiawan et al 2004 Phys. Rev. B 70 195104), and this frequency dependence leads to effects that cannot be neglected in a truly first principles description. We review the recently introduced extension of LDA + DMFT to dynamical local Coulomb interactions 'LDA + U(ω) + DMFT' (Casula et al 2012 Phys. Rev. B 85 035115, Werner et al 2012 Nature Phys. 1745-2481). A reliable description of dynamical screening effects is also a central ingredient of the 'GW + DMFT' scheme (Biermann et al 2003 Phys. Rev. Lett. 90 086402), a combination of many-body perturbation theory in Hedin's GW approximation and dynamical mean field theory. Recently, the first GW + DMFT calculations including dynamical screening effects for real materials have been achieved, with applications to SrV O3 (Tomczak et al 2012 Europhys. Lett. 100 67001, Tomczak et al Phys. Rev. B submitted (available electronically as arXiv:1312.7546)) and adatom systems on surfaces (Hansmann et al 2013 Phys. Rev. Lett. 110 166401). We review these and comment on further perspectives in the field. This review is an attempt to put elements of the original works into the broad perspective of the development of truly first principles techniques for correlated electron materials.

  5. Reduction of Z classification of a two-dimensional weak topological insulator: Real-space dynamical mean-field theory study

    NASA Astrophysics Data System (ADS)

    Yoshida, Tsuneya; Kawakami, Norio

    2017-01-01

    One of the remarkable interaction effects on topological insulators is the reduction of topological classification in free-fermion systems. We address this issue in a bilayer honeycomb lattice model by taking into account temperature effects on the reduction. Our analysis, based on the real-space dynamical mean-field theory, elucidates the following results. (i) Even when the reduction occurs, the winding number defined by the Green's function can take a nontrivial value at zero temperature. (ii) The winding number taking the nontrivial value becomes consistent with the absence of gapless edge modes due to Mott behaviors emerging only at the edges. (iii) Temperature effects can restore the gapless edge modes, provided that the energy scale of interactions is smaller than the bulk gap. In addition, we observe the topological edge Mott behavior only in some finite-temperature region.

  6. A Generalization of Mean Field Theory in a Cluster with Many Sites on the Ising Model from the Bogoliubov Inequality: Hexagonal Nanowire and Nanotube

    NASA Astrophysics Data System (ADS)

    Santos, Jander P.

    2017-01-01

    A generalization of mean field theory in a cluster with many sites was obtained for the spin-1/2 Ising model from the Gibbs-Bogoliubov inequality. The expressions for the free energy and the magnetization were obtained. The generalization was applied in a structure of the nanowire and nanotube hexagonal lattices, for clusters of seven sites and six sites, respectively. The results for the magnetization, the free energy, the internal energy, the entropy, the specific heat, and the critical frontiers were obtained. The critical temperature and the compensation temperature in a cylindrical Ising nanowire are investigated, in order to clarify the distinction between the ferromagnetic and ferrimagnetic behaviors when the core-shell exchange coupling takes a different sign. The results were compared with other works.

  7. Dynamical Mean-Field Theory Plus Numerical Renormalization-Group Study of Spin-Orbital Separation in a Three-Band Hund Metal.

    PubMed

    Stadler, K M; Yin, Z P; von Delft, J; Kotliar, G; Weichselbaum, A

    2015-09-25

    We show that the numerical renormalization group is a viable multi-band impurity solver for dynamical mean-field theory (DMFT), offering unprecedented real-frequency spectral resolution at arbitrarily low energies and temperatures. We use it to obtain a numerically exact DMFT solution to the Hund metal problem for a three-band model on a Bethe lattice at 1/3 filling. The ground state is a Fermi liquid. The one-particle spectral function undergoes a coherence-incoherence crossover with increasing temperature, with spectral weight being transferred from low to high energies. Further, it exhibits a strong particle-hole asymmetry. In the incoherent regime, the self-energy displays approximate power-law behavior for positive frequencies only. The spin and orbital spectral functions show "spin-orbital separation": spin screening occurs at much lower energies than orbital screening. The renormalization group flows clearly reveal the relevant physics at all energy scales.

  8. Dynamical Mean-Field Theory Plus Numerical Renormalization-Group Study of Spin-Orbital Separation in a Three-Band Hund Metal

    NASA Astrophysics Data System (ADS)

    Stadler, K. M.; Yin, Z. P.; von Delft, J.; Kotliar, G.; Weichselbaum, A.

    2015-09-01

    We show that the numerical renormalization group is a viable multi-band impurity solver for dynamical mean-field theory (DMFT), offering unprecedented real-frequency spectral resolution at arbitrarily low energies and temperatures. We use it to obtain a numerically exact DMFT solution to the Hund metal problem for a three-band model on a Bethe lattice at 1 /3 filling. The ground state is a Fermi liquid. The one-particle spectral function undergoes a coherence-incoherence crossover with increasing temperature, with spectral weight being transferred from low to high energies. Further, it exhibits a strong particle-hole asymmetry. In the incoherent regime, the self-energy displays approximate power-law behavior for positive frequencies only. The spin and orbital spectral functions show "spin-orbital separation": spin screening occurs at much lower energies than orbital screening. The renormalization group flows clearly reveal the relevant physics at all energy scales.

  9. A Generalization of Mean Field Theory in a Cluster with Many Sites on the Ising Model from the Bogoliubov Inequality: Hexagonal Nanowire and Nanotube

    NASA Astrophysics Data System (ADS)

    Santos, Jander P.

    2017-04-01

    A generalization of mean field theory in a cluster with many sites was obtained for the spin-1/2 Ising model from the Gibbs-Bogoliubov inequality. The expressions for the free energy and the magnetization were obtained. The generalization was applied in a structure of the nanowire and nanotube hexagonal lattices, for clusters of seven sites and six sites, respectively. The results for the magnetization, the free energy, the internal energy, the entropy, the specific heat, and the critical frontiers were obtained. The critical temperature and the compensation temperature in a cylindrical Ising nanowire are investigated, in order to clarify the distinction between the ferromagnetic and ferrimagnetic behaviors when the core-shell exchange coupling takes a different sign. The results were compared with other works.

  10. Functional renormalization-group approaches, one-particle (irreducible) reducible with respect to local Green's functions, with dynamical mean-field theory as a starting point

    NASA Astrophysics Data System (ADS)

    Katanin, A. A.

    2015-06-01

    We consider formulations of the functional renormalization-group (fRG) flow for correlated electronic systems with the dynamical mean-field theory as a starting point. We classify the corresponding renormalization-group schemes into those neglecting one-particle irreducible six-point vertices (with respect to the local Green's functions) and neglecting one-particle reducible six-point vertices. The former class is represented by the recently introduced DMF2RG approach [31], but also by the scale-dependent generalization of the one-particle irreducible representation (with respect to local Green's functions, 1PI-LGF) of the generating functional [20]. The second class is represented by the fRG flow within the dual fermion approach [16, 32]. We compare formulations of the fRG approach in each of these cases and suggest their further application to study 2D systems within the Hubbard model.

  11. Accurate mean-field modeling of the Barkhausen noise power in ferromagnetic materials, using a positive-feedback theory of ferromagnetism

    NASA Astrophysics Data System (ADS)

    Harrison, R. G.

    2015-07-01

    A mean-field positive-feedback (PFB) theory of ferromagnetism is used to explain the origin of Barkhausen noise (BN) and to show why it is most pronounced in the irreversible regions of the hysteresis loop. By incorporating the ABBM-Sablik model of BN into the PFB theory, we obtain analytical solutions that simultaneously describe both the major hysteresis loop and, by calculating separate expressions for the differential susceptibility in the irreversible and reversible regions, the BN power response at all points of the loop. The PFB theory depends on summing components of the applied field, in particular, the non-monotonic field-magnetization relationship characterizing hysteresis, associated with physical processes occurring in the material. The resulting physical model is then validated by detailed comparisons with measured single-peak BN data in three different steels. It also agrees with the well-known influence of a demagnetizing field on the position and shape of these peaks. The results could form the basis of a physics-based method for modeling and understanding the significance of the observed single-peak (and in multi-constituent materials, multi-peak) BN envelope responses seen in contemporary applications of BN, such as quality control in manufacturing, non-destructive testing, and monitoring the microstructural state of ferromagnetic materials.

  12. Composition and temperature dependent electronic structures of NiS2 -xSex alloys: First-principles dynamical mean-field theory approach

    NASA Astrophysics Data System (ADS)

    Moon, Chang-Youn; Kang, Hanhim; Jang, Bo Gyu; Shim, Ji Hoon

    2015-12-01

    We investigate the evolution of the electronic structure of NiS2 -xSex alloys with varying temperature and composition x by using the combined approach of density-functional theory and dynamical mean-field theory. Adopting realistic alloy structures containing S and Se dimers, we map their electronic correlation strength on the phase diagram and observe the metal-insulator transition (MIT) at the composition x =0.5 , which is consistent with the experimental measurements. The temperature dependence of the local magnetic susceptibility is found to show a typical Curie-Weiss-like behavior in the insulating phase while it shows a constant Pauli-like behavior in the metallic phase. A comparison of the electronic structures for NiS2 and NiSe2 in different lattice structures suggests that the MIT in this alloy system can be classified as of bandwidth-control type, where the change in the hybridization strength between Ni d and chalcogen p orbitals is the most important parameter.

  13. Dynamics of capillary condensation in lattice gas models of confined fluids: A comparison of dynamic mean field theory with dynamic Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Edison, John R.; Monson, Peter A.

    2013-06-01

    This article addresses the accuracy of a dynamic mean field theory (DMFT) for fluids in porous materials [P. A. Monson, J. Chem. Phys. 128, 084701 (2008)], 10.1063/1.2837287. The theory is used to study the relaxation processes of fluids in pores driven by step changes made to a bulk reservoir in contact with the pore. We compare the results of the DMFT to those obtained by averaging over large numbers of dynamic Monte Carlo (DMC) simulation trajectories. The problem chosen for comparison is capillary condensation in slit pores, driven by step changes in the chemical potential in the bulk reservoir and involving a nucleation process via the formation of a liquid bridge. The principal difference between the DMFT results and DMC is the replacement of a distribution of nucleation times and location along the pore for the formation of liquid bridges by a single time and location. DMFT is seen to yield an otherwise qualitatively accurate description of the dynamic behavior.

  14. Information geometry of mean-field approximation.

    PubMed

    Tanaka, T

    2000-08-01

    I present a general theory of mean-field approximation based on information geometry and applicable not only to Boltzmann machines but also to wider classes of statistical models. Using perturbation expansion of the Kullback divergence (or Plefka expansion in statistical physics), a formulation of mean-field approximation of general orders is derived. It includes in a natural way the "naive" mean-field approximation and is consistent with the Thouless-Anderson-Palmer (TAP) approach and the linear response theorem in statistical physics.

  15. The Brownian mean field model

    NASA Astrophysics Data System (ADS)

    Chavanis, Pierre-Henri

    2014-05-01

    We discuss the dynamics and thermodynamics of the Brownian mean field (BMF) model which is a system of N Brownian particles moving on a circle and interacting via a cosine potential. It can be viewed as the canonical version of the Hamiltonian mean field (HMF) model. The BMF model displays a second order phase transition from a homogeneous phase to an inhomogeneous phase below a critical temperature T c = 1 / 2. We first complete the description of this model in the mean field approximation valid for N → +∞. In the strong friction limit, the evolution of the density towards the mean field Boltzmann distribution is governed by the mean field Smoluchowski equation. For T < T c , this equation describes a process of self-organization from a non-magnetized (homogeneous) phase to a magnetized (inhomogeneous) phase. We obtain an analytical expression for the temporal evolution of the magnetization close to T c . Then, we take fluctuations (finite N effects) into account. The evolution of the density is governed by the stochastic Smoluchowski equation. From this equation, we derive a stochastic equation for the magnetization and study its properties both in the homogenous and inhomogeneous phase. We show that the fluctuations diverge at the critical point so that the mean field approximation ceases to be valid. Actually, the limits N → +∞ and T → T c do not commute. The validity of the mean field approximation requires N( T - T c ) → +∞ so that N must be larger and larger as T approaches T c . We show that the direction of the magnetization changes rapidly close to T c while its amplitude takes a long time to relax. We also indicate that, for systems with long-range interactions, the lifetime of metastable states scales as e N except close to a critical point. The BMF model shares many analogies with other systems of Brownian particles with long-range interactions such as self-gravitating Brownian particles, the Keller-Segel model describing the chemotaxis

  16. Co-non-solvency: Mean-field polymer theory does not describe polymer collapse transition in a mixture of two competing good solvents

    NASA Astrophysics Data System (ADS)

    Mukherji, Debashish; Marques, Carlos M.; Stuehn, Torsten; Kremer, Kurt

    2015-03-01

    Smart polymers are a modern class of polymeric materials that often exhibit unpredictable behavior in mixtures of solvents. One such phenomenon is co-non-solvency. Co-non-solvency occurs when two (perfectly) miscible and competing good solvents, for a given polymer, are mixed together. As a result, the same polymer collapses into a compact globule within intermediate mixing ratios. More interestingly, polymer collapses when the solvent quality remains good and even gets increasingly better by the addition of the better cosolvent. This is a puzzling phenomenon that is driven by strong local concentration fluctuations. Because of the discrete particle based nature of the interactions, Flory-Huggins type mean field arguments become unsuitable. In this work, we extend the analysis of the co-non-solvency effect presented earlier [D. Mukherji et al., Nat. Commun. 5, 4882 (2014)]. We explain why co-non-solvency is a generic phenomenon, which can only be understood by the thermodynamic treatment of the competitive displacement of (co)solvent components. This competition can result in a polymer collapse upon improvement of the solvent quality. Specific chemical details are not required to understand these complex conformational transitions. Therefore, a broad range of polymers are expected to exhibit similar reentrant coil-globule-coil transitions in competing good solvents.

  17. Mean field and collisions in hot nuclei

    SciTech Connect

    K /umlt o/hler, H.S.

    1989-06-01

    Collisions between heavy nuclei produce nuclear matter of high density and excitation. Brueckner methods are used to calculate the momentum and temperature dependent mean field for nucleons propagating through nuclear matter during these collisions. The mean field is complex and the imaginary part is related to the ''two-body'' collision, while the real part relates to ''one-body'' collisions. A potential model for the N-N interactions is avoided by calculating the Reaction matrix directly from the T-matrix (i.e., N-N phase shifts) using a version of Brueckner theory previously published by the author. Results are presented for nuclear matter at normal and twice normal density and for temperatures up to 50 MeV. 23 refs., 7 figs.

  18. A Study of the Mean Field Approach to Knapsack Problems.

    PubMed

    Pi, Hong; Ohlsson, Mattias

    1997-03-01

    The mean field theory approach to knapsack problems is extended to multiple knapsacks and generalized assignment problems with Potts mean field equations governing the dynamics. Numerical tests against "state of the art" conventional algorithms shows good performance for the mean field approach. The inherently parallelism of the mean field equations makes them suitable for direct implementations in microchips. It is demonstrated numerically that the performance is essentially not affected when only a limited number of bits is used in the mean field equations. Also, a hybrid algorithm with linear programming and mean field components is showed to further improve the performance for the difficult homogeneous N x M knapsack problem. Copyright 1997 Elsevier Science Ltd. All Rights Reserved.

  19. Relativistic mean field description of cluster radioactivity

    NASA Astrophysics Data System (ADS)

    Bhagwat, A.; Gambhir, Y. K.

    2005-01-01

    Comprehensive investigations of the observed cluster radioactivity are carried out. First, the relativistic mean field (RMF) theory is employed for the calculations of the ground-state properties of relevant nuclei. The calculations reproduce the experiment well. The calculated RMF point densities are folded with the density-dependent M3Y nucleon-nucleon interaction to obtain the cluster-daughter interaction potential. This, along with the calculated and experimental Q values, is used in the WKB approximation for estimating the half-lives of the parent nuclei against cluster decay. The calculations qualitatively agree with the experiment. Sensitive dependence of the half-lives on Q values is explicitly demonstrated.

  20. Electronic localization and bad-metallicity in pure and electron-doped troilite: A local-density-approximation plus dynamical-mean-field-theory study of FeS for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Craco, L.; Faria, J. L. B.

    2016-02-01

    Iron sulfides are promising candidates for the next generation of rechargeable lithium-ion battery materials. Motivated thereby, we present a detailed study of correlation- and doping-induced electronic reconstruction in troilite. Based on local-density-approximation plus dynamical-mean-field-theory, we stress the importance of multi-orbital Coulomb interactions in concert with first-principles band structure calculations for a consistent understanding of intrinsic Mott-Hubbard insulating state in FeS. We explore the anomalous nature of electron doping-induced insulator-bad metal transition, showing that it is driven by orbital-selective dynamical spectral weight transfer. Our results are relevant for understanding charge dynamics upon electrochemical lithiation of iron monosulfides electrode materials for lithium-ion batteries.

  1. Miscibility studies of two twist-bend nematic liquid crystal dimers with different average molecular curvatures. A comparison between experimental data and predictions of a Landau mean-field theory for the NTB-N phase transition.

    PubMed

    López, D O; Robles-Hernández, B; Salud, J; de la Fuente, M R; Sebastián, N; Diez-Berart, S; Jaen, X; Dunmur, D A; Luckhurst, G R

    2016-02-14

    We report a calorimetric study of a series of mixtures of two twist-bend liquid crystal dimers, the 1'',7''-bis(4-cyanobiphenyl)-4'-yl heptane (CB7CB) and 1''-(2',4-difluorobiphenyl-4'-yloxy)-9''-(4-cyanobiphenyl-4'-yloxy) nonane (FFO9OCB), the molecules of which have different effective molecular curvatures. High-resolution heat capacity measurements in the vicinity of the NTB-N phase transition for a selected number of binary mixtures clearly indicate a first order NTB-N phase transition for all the investigated mixtures, the strength of which decreases when the nematic range increases. Published theories predict a second order NTB-N phase transition, but we have developed a self-consistent mean field Landau model using two key order parameters: a symmetric and traceless tensor for the orientational order and a short-range vector field which is orthogonal to the helix axis and rotates around of the heliconical structure with an extremely short periodicity. The theory, in its simplified form, depends on two effective elastic constants and explains satisfactorily our heat capacity measurements and also predicts a first-order NTB-N phase transition. In addition, as a complementary source of experimental measurements, the splay (K1) and bend (K3) elastic constants in the conventional nematic phase for the pure compounds and some selected mixtures have been determined.

  2. Continuous Time Finite State Mean Field Games

    SciTech Connect

    Gomes, Diogo A.; Mohr, Joana Souza, Rafael Rigao

    2013-08-01

    In this paper we consider symmetric games where a large number of players can be in any one of d states. We derive a limiting mean field model and characterize its main properties. This mean field limit is a system of coupled ordinary differential equations with initial-terminal data. For this mean field problem we prove a trend to equilibrium theorem, that is convergence, in an appropriate limit, to stationary solutions. Then we study an N+1-player problem, which the mean field model attempts to approximate. Our main result is the convergence as N{yields}{infinity} of the mean field model and an estimate of the rate of convergence. We end the paper with some further examples for potential mean field games.

  3. Deterministic Mean-Field Ensemble Kalman Filtering

    SciTech Connect

    Law, Kody J. H.; Tembine, Hamidou; Tempone, Raul

    2016-05-03

    The proof of convergence of the standard ensemble Kalman filter (EnKF) from Le Gland, Monbet, and Tran [Large sample asymptotics for the ensemble Kalman filter, in The Oxford Handbook of Nonlinear Filtering, Oxford University Press, Oxford, UK, 2011, pp. 598--631] is extended to non-Gaussian state-space models. In this paper, a density-based deterministic approximation of the mean-field limit EnKF (DMFEnKF) is proposed, consisting of a PDE solver and a quadrature rule. Given a certain minimal order of convergence κ between the two, this extends to the deterministic filter approximation, which is therefore asymptotically superior to standard EnKF for dimension d < 2κ. The fidelity of approximation of the true distribution is also established using an extension of the total variation metric to random measures. Lastly, this is limited by a Gaussian bias term arising from nonlinearity/non-Gaussianity of the model, which arises in both deterministic and standard EnKF. Numerical results support and extend the theory.

  4. Deterministic Mean-Field Ensemble Kalman Filtering

    DOE PAGES

    Law, Kody J. H.; Tembine, Hamidou; Tempone, Raul

    2016-05-03

    The proof of convergence of the standard ensemble Kalman filter (EnKF) from Le Gland, Monbet, and Tran [Large sample asymptotics for the ensemble Kalman filter, in The Oxford Handbook of Nonlinear Filtering, Oxford University Press, Oxford, UK, 2011, pp. 598--631] is extended to non-Gaussian state-space models. In this paper, a density-based deterministic approximation of the mean-field limit EnKF (DMFEnKF) is proposed, consisting of a PDE solver and a quadrature rule. Given a certain minimal order of convergence κ between the two, this extends to the deterministic filter approximation, which is therefore asymptotically superior to standard EnKF for dimension d theory.« less

  5. Mean-field versus microconvection effects in nanofluid thermal conduction.

    PubMed

    Eapen, Jacob; Williams, Wesley C; Buongiorno, Jacopo; Hu, Lin-Wen; Yip, Sidney; Rusconi, Roberto; Piazza, Roberto

    2007-08-31

    Transient hot-wire data on thermal conductivity of suspensions of silica and perfluorinated particles show agreement with the mean-field theory of Maxwell but not with the recently postulated microconvection mechanism. The influence of interfacial thermal resistance, convective effects at microscales, and the possibility of thermal conductivity enhancements beyond the Maxwell limit are discussed.

  6. Instabilities in the Mean Field Limit

    NASA Astrophysics Data System (ADS)

    Han-Kwan, Daniel; Nguyen, Toan T.

    2016-03-01

    Consider a system of N particles interacting through Newton's second law with Coulomb interaction potential in one spatial dimension or a {C}^2 smooth potential in any dimension. We prove that in the mean field limit N → + ∞, the N particles system displays instabilities in times of order log N, for some configurations approximately distributed according to unstable homogeneous equilibria.

  7. "Phase diagram" of a mean field game

    NASA Astrophysics Data System (ADS)

    Swiecicki, Igor; Gobron, Thierry; Ullmo, Denis

    2016-01-01

    Mean field games were introduced by J-M. Lasry and P-L. Lions in the mathematical community, and independently by M. Huang and co-workers in the engineering community, to deal with optimization problems when the number of agents becomes very large. In this article we study in detail a particular example called the "seminar problem" introduced by O. Guéant, J-M. Lasry, and P-L. Lions in 2010. This model contains the main ingredients of any mean field game but has the particular feature that all agents are coupled only through a simple random event (the seminar starting time) that they all contribute to form. In the mean field limit, this event becomes deterministic and its value can be fixed through a self consistent procedure. This allows for a rather thorough understanding of the solutions of the problem, through both exact results and a detailed analysis of various limiting regimes. For a sensible class of initial configurations, distinct behaviors can be associated to different domains in the parameter space. For this reason, the "seminar problem" appears to be an interesting toy model on which both intuition and technical approaches can be tested as a preliminary study toward more complex mean field game models.

  8. Robust mean field games for coupled Markov jump linear systems

    NASA Astrophysics Data System (ADS)

    Moon, Jun; Başar, Tamer

    2016-07-01

    We consider robust stochastic large population games for coupled Markov jump linear systems (MJLSs). The N agents' individual MJLSs are governed by different infinitesimal generators, and are affected not only by the control input but also by an individual disturbance (or adversarial) input. The mean field term, representing the average behaviour of N agents, is included in the individual worst-case cost function to capture coupling effects among agents. To circumvent the computational complexity and analyse the worst-case effect of the disturbance, we use robust mean field game theory to design low-complexity robust decentralised controllers and to characterise the associated worst-case disturbance. We show that with the individual robust decentralised controller and the corresponding worst-case disturbance, which constitute a saddle-point solution to a generic stochastic differential game for MJLSs, the actual mean field behaviour can be approximated by a deterministic function which is a fixed-point solution to the constructed mean field system. We further show that the closed-loop system is uniformly stable independent of N, and an approximate optimality can be obtained in the sense of ε-Nash equilibrium, where ε can be taken to be arbitrarily close to zero as N becomes sufficiently large. A numerical example is included to illustrate the results.

  9. Mean-field behavior of cluster dynamics

    NASA Astrophysics Data System (ADS)

    Persky, N.; Ben-Av, R.; Kanter, I.; Domany, E.

    1996-09-01

    The dynamic behavior of cluster algorithms is analyzed in the classical mean-field limit. Rigorous analytical results below Tc establish that the dynamic exponent has the value zSW=1 for the Swendsen-Wang algorithm and zW=0 for the Wolff algorithm. An efficient Monte Carlo implementation is introduced, adapted for using these algorithms for fully connected graphs. Extensive simulations both above and below Tc demonstrate scaling and evaluate the finite-size scaling function by means of a rather impressive collapse of the data.

  10. Extended Chiral ({sigma},{pi},{omega}) Mean-Field Model with Vacuum Fluctuation Corrections

    SciTech Connect

    Uechi, Schun T.; Uechi, Hiroshi

    2011-10-21

    Density-dependent relations among saturation properties of symmetric nuclear matter and properties of hadronic stars are discussed by applying the conserving chiral nonlinear ({sigma},{pi},{omega}) mean-field theory. The chiral nonlinear ({sigma},{pi},{omega}) mean-field theory is an extension of the conserving nonlinear (nonchiral){sigma}-{omega} mean-field theory, which is thermodynamically consistent, relativistic and Lorentz-covariant. In the extended chiral ({sigma},{pi},{omega}) mean-field model, all the masses of hadrons are produced by the spontaneous chiral symmetry breaking, which is different from conventional chiral partner models. By comparing both nonchiral and chiral mean-field approximations, the effects of the chiral symmetry breaking mechanism on the mass of {sigma}-meson, coefficients of nonlinear interactions and Fermi-liquid properties are investigated in nuclear matter and neutron stars.

  11. Mean-field avalanches in jammed spheres

    NASA Astrophysics Data System (ADS)

    Franz, S.; Spigler, S.

    2017-02-01

    Disordered systems are characterized by the existence of many sample-dependent local-energy minima that cause a step-wise response when the system is perturbed. In this article we use an approach based on elementary probabilistic methods to compute the complete probability distribution of the jumps (static avalanches) in the response of mean-field systems described by replica symmetry breaking; we find a precise condition for having a power-law behavior in the distribution of avalanches caused by small perturbations, and we show that our predictions are in remarkable agreement both with previous results and with what is found in simulations of three-dimensional systems of soft spheres, either at jamming or at slightly higher densities.

  12. Mean-field avalanches in jammed spheres.

    PubMed

    Franz, S; Spigler, S

    2017-02-01

    Disordered systems are characterized by the existence of many sample-dependent local-energy minima that cause a step-wise response when the system is perturbed. In this article we use an approach based on elementary probabilistic methods to compute the complete probability distribution of the jumps (static avalanches) in the response of mean-field systems described by replica symmetry breaking; we find a precise condition for having a power-law behavior in the distribution of avalanches caused by small perturbations, and we show that our predictions are in remarkable agreement both with previous results and with what is found in simulations of three-dimensional systems of soft spheres, either at jamming or at slightly higher densities.

  13. Cluster dynamical mean-field calculations for TiOCl

    NASA Astrophysics Data System (ADS)

    Saha-Dasgupta, T.; Lichtenstein, A.; Hoinkis, M.; Glawion, S.; Sing, M.; Claessen, R.; Valentí, R.

    2007-10-01

    Based on a combination of cluster dynamical mean field theory (DMFT) and density functional calculations, we calculated the angle-integrated spectral density in the layered s=1/2 quantum magnet TiOCl. The agreement with recent photoemission and oxygen K-edge x-ray absorption spectroscopy experiments is found to be good. The improvement achieved with this calculation with respect to previous single-site DMFT calculations is an indication of the correlated nature and low-dimensionality of TiOCl.

  14. Asymptotics of Mean-Field O( N) Models

    NASA Astrophysics Data System (ADS)

    Kirkpatrick, Kay; Nawaz, Tayyab

    2016-12-01

    We study mean-field classical N-vector models, for integers N≥2. We use the theory of large deviations and Stein's method to study the total spin and its typical behavior, specifically obtaining non-normal limit theorems at the critical temperatures and central limit theorems away from criticality. Important special cases of these models are the XY (N=2) model of superconductors, the Heisenberg (N=3) model [previously studied in Kirkpatrick and Meckes (J Stat Phys 152:54-92, 2013) but with a correction to the critical distribution here], and the Toy (N=4) model of the Higgs sector in particle physics.

  15. Neural Population Dynamics Modeled by Mean-Field Graphs

    NASA Astrophysics Data System (ADS)

    Kozma, Robert; Puljic, Marko

    2011-09-01

    In this work we apply random graph theory approach to describe neural population dynamics. There are important advantages of using random graph theory approach in addition to ordinary and partial differential equations. The mathematical theory of large-scale random graphs provides an efficient tool to describe transitions between high- and low-dimensional spaces. Recent advances in studying neural correlates of higher cognition indicate the significance of sudden changes in space-time neurodynamics, which can be efficiently described as phase transitions in the neuropil medium. Phase transitions are rigorously defined mathematically on random graph sequences and they can be naturally generalized to a class of percolation processes called neuropercolation. In this work we employ mean-field graphs with given vertex degree distribution and edge strength distribution. We demonstrate the emergence of collective oscillations in the style of brains.

  16. Mean Field Analysis of Quantum Annealing Correction.

    PubMed

    Matsuura, Shunji; Nishimori, Hidetoshi; Albash, Tameem; Lidar, Daniel A

    2016-06-03

    Quantum annealing correction (QAC) is a method that combines encoding with energy penalties and decoding to suppress and correct errors that degrade the performance of quantum annealers in solving optimization problems. While QAC has been experimentally demonstrated to successfully error correct a range of optimization problems, a clear understanding of its operating mechanism has been lacking. Here we bridge this gap using tools from quantum statistical mechanics. We study analytically tractable models using a mean-field analysis, specifically the p-body ferromagnetic infinite-range transverse-field Ising model as well as the quantum Hopfield model. We demonstrate that for p=2, where the phase transition is of second order, QAC pushes the transition to increasingly larger transverse field strengths. For p≥3, where the phase transition is of first order, QAC softens the closing of the gap for small energy penalty values and prevents its closure for sufficiently large energy penalty values. Thus QAC provides protection from excitations that occur near the quantum critical point. We find similar results for the Hopfield model, thus demonstrating that our conclusions hold in the presence of disorder.

  17. Relativistic mean-field mass models

    NASA Astrophysics Data System (ADS)

    Peña-Arteaga, D.; Goriely, S.; Chamel, N.

    2016-10-01

    We present a new effort to develop viable mass models within the relativistic mean-field approach with density-dependent meson couplings, separable pairing and microscopic estimations for the translational and rotational correction energies. Two interactions, DD-MEB1 and DD-MEB2, are fitted to essentially all experimental masses, and also to charge radii and infinite nuclear matter properties as determined by microscopic models using realistic interactions. While DD-MEB1 includes the σ, ω and ρ meson fields, DD-MEB2 also considers the δ meson. Both mass models describe the 2353 experimental masses with a root mean square deviation of about 1.1 MeV and the 882 measured charge radii with a root mean square deviation of 0.029 fm. In addition, we show that the Pb isotopic shifts and moments of inertia are rather well reproduced, and the equation of state in pure neutron matter as well as symmetric nuclear matter are in relatively good agreement with existing realistic calculations. Both models predict a maximum neutron-star mass of more than 2.6 solar masses, and thus are able to accommodate the heaviest neutron stars observed so far. However, the new Lagrangians, like all previously determined RMF models, present the drawback of being characterized by a low effective mass, which leads to strong shell effects due to the strong coupling between the spin-orbit splitting and the effective mass. Complete mass tables have been generated and a comparison with other mass models is presented.

  18. Lévy/Anomalous Diffusion as a Mean-Field Theory for 3D Cloud Effects in SW-RT: Empirical Support, New Analytical Formulation, and Impact on Atmospheric Absorption

    NASA Astrophysics Data System (ADS)

    Pfeilsticker, K.; Davis, A.; Marshak, A.; Suszcynsky, D. M.; Buldryrev, S.; Barker, H.

    2001-12-01

    2-stream RT models, as used in all current GCMs, are mathematically equivalent to standard diffusion theory where the physical picture is a slow propagation of the diffuse radiation by Gaussian random walks. In other words, after the conventional van de Hulst rescaling by 1/(1-g) in R3 and also by (1-g) in t, solar photons follow convoluted fractal trajectories in the atmosphere. For instance, we know that transmitted light is typically scattered about (1-g)τ 2 times while reflected light is scattered on average about τ times, where τ is the optical depth of the column. The space/time spread of this diffusion process is described exactly by a Gaussian distribution; from the statistical physics viewpoint, this follows from the convergence of the sum of many (rescaled) steps between scattering events with a finite variance. This Gaussian picture follows from directly from first principles (the RT equation) under the assumptions of horizontal uniformity and large optical depth, i.e., there is a homogeneous plane-parallel cloud somewhere in the column. The first-order effect of 3D variability of cloudiness, the main source of scattering, is to perturb the distribution of single steps between scatterings which, modulo the '1-g' rescaling, can be assumed effectively isotropic. The most natural generalization of the Gaussian distribution is the 1-parameter family of symmetric Lévy-stable distributions because the sum of many zero-mean random variables with infinite variance, but finite moments of order q < α (0 < α < 2), converge to them. It has been shown on heuristic grounds that for these Lévy-based random walks the typical number of scatterings is now (1-g)τ α for transmitted light. The appearance of a non-rational exponent is why this is referred to as anomalous diffusion. Note that standard/Gaussian diffusion is retrieved in the limit α = 2-. Lévy transport theory has been successfully used in the statistical physics to investigate a wide variety of

  19. Lévy/Anomalous Diffusion as a Mean-Field Theory for 3D Cloud Effects in Shortwave Radiative Transfer: Empirical Support, New Analytical Formulation, and Impact on Atmospheric Absorption

    NASA Astrophysics Data System (ADS)

    Buldyrev, S.; Davis, A.; Marshak, A.; Stanley, H. E.

    2001-12-01

    Two-stream radiation transport models, as used in all current GCM parameterization schemes, are mathematically equivalent to ``standard'' diffusion theory where the physical picture is a slow propagation of the diffuse radiation by Gaussian random walks. The space/time spread (technically, the Green function) of this diffusion process is described exactly by a Gaussian distribution; from the statistical physics viewpoint, this follows from the convergence of the sum of many (rescaled) steps between scattering events with a finite variance. This Gaussian picture follows directly from first principles (the radiative transfer equation) under the assumptions of horizontal uniformity and large optical depth, i.e., there is a homogeneous plane-parallel cloud somewhere in the column. The first-order effect of 3D variability of cloudiness, the main source of scattering, is to perturb the distribution of single steps between scatterings which, modulo the ``1-g'' rescaling, can be assumed effectively isotropic. The most natural generalization of the Gaussian distribution is the 1-parameter family of symmetric Lévy-stable distributions because the sum of many zero-mean random variables with infinite variance, but finite moments of order q < α (0 < α < 2), converge to them. It has been shown on heuristic grounds that for these Lévy-based random walks the typical number of scatterings is now (1-g)τ α for transmitted light. The appearance of a non-rational exponent is why this is referred to as ``anomalous'' diffusion. Note that standard/Gaussian diffusion is retrieved in the limit α = 2-. Lévy transport theory has been successfully used in the statistical physics literature to investigate a wide variety of systems with strongly nonlinear dynamics; these applications range from random advection in turbulent fluids to the erratic behavior of financial time-series and, most recently, self-regulating ecological systems. We will briefly survey the state

  20. Phase transitions of nuclear matter beyond mean field theory

    SciTech Connect

    Tran Huu Phat; Nguyen Tuan Anh; Nguyen Van Long; Le Viet Hoa

    2007-10-15

    The Cornwall-Jackiw-Tomboulis (CJT) effective action approach is applied to study the phase transition of nuclear matter modeled by the four-nucleon interaction. It is shown that in the Hartree-Fock approximation (HFA) a first-order phase transition takes place at low temperature, whereas the phase transition is of second order at higher temperature.

  1. Mean-field theory for pedestrian outflow through an exit

    NASA Astrophysics Data System (ADS)

    Yanagisawa, Daichi; Nishinari, Katsuhiro

    2007-12-01

    The average pedestrian flow through an exit is one of the most important indices in evaluating pedestrian dynamics. In order to study the flow in detail, the floor field model, which is a crowd model using cellular automata, is extended by taking into account realistic behavior of pedestrians around the exit. The model is studied by both numerical simulations and cluster analysis to obtain a theoretical expression for the average pedestrian flow through the exit. It is found quantitatively that the effects of exit door width, the wall, and the pedestrian mood of competition or cooperation significantly influence the average flow. The results show that there is a suitable width and position of the exit according to the pedestrians’ mood.

  2. Hall Current Effects in Mean-Field Dynamo Theory

    NASA Astrophysics Data System (ADS)

    Lingam, Manasvi; Bhattacharjee, Amitava

    2016-09-01

    The role of the Hall term on large-scale dynamo action is investigated by means of the first-order smoothing approximation. It is shown that the standard α coefficient is altered, and is zero when a specific double Beltrami state is attained, in contrast to the Alfvénic state for magnetohydrodynamical dynamos. The β coefficient is no longer positive definite, and thereby enables dynamo action even if α-quenching were to operate. The similarities and differences with the (magnetic) shear-current effect are pointed out, and a mechanism that may be potentially responsible for β \\lt 0 is advanced. The results are compared against previous studies, and their astrophysical relevance is also highlighted.

  3. Mean field theory of directed polymers with random complex weights

    NASA Astrophysics Data System (ADS)

    Derrida, B.; Evans, M. R.; Speer, E. R.

    1993-09-01

    We show that for the problem of directed polymers on a tree with i.i.d. random complex weights on each bond, three possible phases can exist; the phase of a particular system is determined by the distribution ρ of the random weights. For each of these three phases, we give the expression of the free energy per unit length in the limit of infinitely long polymers. Our proofs require several hypotheses on the distribution ρ, most importantly, that the amplitude and the phase of each complex weight be statistically independent. The main steps of our proofs use bounds on noninteger moments of the partition function and self averaging properties of the free energy. We illustrate our results by some examples and discuss possible generalizations to a larger class of distributions, to Random Energy Models, and to the finite dimensional case. We note that our results are not in agreement with the predictions of a recent replica approach to a similar problem.

  4. Basic Mean-Field Theory for Bose-Einstein Condensates

    NASA Astrophysics Data System (ADS)

    Kevrekidis, P. G.; Frantzeskakis, D. J.; Carretero-González, R.

    The phenomenon of Bose-Einstein condensation, initially predicted by Bose [1] and Einstein [2, 3] in 1924, refers to systems of particles obeying the Bose statistics. In particular, when a gas of bosonic particles is cooled below a critical transition temperature T c , the particles merge into the Bose-Einstein condensate (BEC), in which a macroscopic number of particles (typically 103 to 106) share the same quantum state. Bose-Einstein condensation is in fact a quantum phase transition, which is connected to the manifestation of fundamental physical phenomena, such as superfluidity in liquid helium and superconductivity in metals (see, e.g., [4] for a relevant discussion and references). Dilute weakly-interacting BECs were first realized experimentally in 1995 in atomic gases, and specifically in vapors of rubidium [5] and sodium [6]. In the same year, first signatures of Bose-Einstein condensation in vapors of lithium were also reported [7] and were later more systematically confirmed [8]. The significance and importance of the emergence of BECs has been recognized through the 2001 Nobel prize in Physics [9, 10]. During the last years there has been an explosion of interest in the physics of BECs. Today, over fifty experimental groups around the world can routinely produce BECs, while an enormous amount of theoretical work has ensued.

  5. Quark mean field model with pion and gluon corrections

    NASA Astrophysics Data System (ADS)

    Xing, Xueyong; Hu, Jinniu; Shen, Hong

    2016-10-01

    The properties of nuclear matter and finite nuclei are studied within the quark mean field (QMF) model by taking the effects of pions and gluons into account at the quark level. The nucleon is described as the combination of three constituent quarks confined by a harmonic oscillator potential. To satisfy the spirit of QCD theory, the contributions of pions and gluons on the nucleon structure are treated in second-order perturbation theory. In a nuclear many-body system, nucleons interact with each other by exchanging mesons between quarks. With different constituent quark mass, mq, we determine three parameter sets for the coupling constants between mesons and quarks, named QMF-NK1, QMF-NK2, and QMF-NK3, by fitting the ground-state properties of several closed-shell nuclei. It is found that all of the three parameter sets can give a satisfactory description of properties of nuclear matter and finite nuclei, moreover they also predict a larger neutron star mass around 2.3 M⊙ without hyperon degrees of freedom.

  6. Relativistic mean field models for finite nuclei and neutron stars

    NASA Astrophysics Data System (ADS)

    Chen, Wei-Chia

    In this dissertation we have created theoretical models for finite nuclei, nuclear matter, and neutron stars within the framework of relativistic mean field (RMF) theory, and we have used these models to investigate the elusive isovector sector and related physics, in particular, the neutron-skin thickness of heavy nuclei, the nuclear symmetry energy, and the properties of neutron stars. To build RMF models that incorporate collective excitations in finite nuclei in addition to their ground-state properties, we have extended the non-relativistic sum rule approach to the relativistic domain. This allows an efficient estimate of giant monopole energies. Moreover, we have combined an exact shell-model-like approach with the mean-field calculation to describe pairing correlations in open-shell nuclei. All the ingredients were then put together to establish the calibration scheme. We have also extended the transformation between model parameters and pseudo data of nuclear matter within the RMF context. Performing calibration in this pseudo data space can not only facilitate the searching algorithm but also make the pseudo data genuine model predictions. This calibration scheme is also supplemented by a covariance analysis enabling us to extract the information content of a model, including theoretical uncertainties and correlation coefficients. A series of RMF models subject to the same isoscalar constraints but one differing isovector assumption were then created using this calibration scheme. By comparing their predictions of the nuclear matter equation of state to both experimental and theoretical constraints, we found that a small neutron skin of about 0.16 fm in Pb208 is favored, indicating that the symmetry energy should be soft. To obtain stronger evidence, we proceeded to examine the evolution of the isotopic chains in both oxygen and calcium. Again, it was found that the model with such small neutron skin and soft symmetry energy can best describe both isotopic

  7. Mean field limit for bosons and propagation of Wigner measures

    NASA Astrophysics Data System (ADS)

    Ammari, Z.; Nier, F.

    2009-04-01

    We consider the N-body Schrödinger dynamics of bosons in the mean field limit with a bounded pair-interaction potential. According to the previous work [Ammari, Z. and Nier, F., "Mean field limit for bosons and infinite dimensional phase-space analysis," Ann. Henri Poincare 9, 1503 (2008)], the mean field limit is translated into a semiclassical problem with a small parameter ɛ →0, after introducing an ɛ-dependent bosonic quantization. The limits of quantum correlation functions are expressed as a push forward by a nonlinear flow (e.g., Hartree) of the associated Wigner measures. These object and their basic properties were introduced by Ammari and Nier in the infinite dimensional setting. The additional result presented here states that the transport by the nonlinear flow holds for a rather general class of quantum states in their mean field limit.

  8. Mean field limit for bosons and propagation of Wigner measures

    SciTech Connect

    Ammari, Z.; Nier, F.

    2009-04-15

    We consider the N-body Schroedinger dynamics of bosons in the mean field limit with a bounded pair-interaction potential. According to the previous work [Ammari, Z. and Nier, F., 'Mean field limit for bosons and infinite dimensional phase-space analysis', Ann. Henri Poincare 9, 1503 (2008)], the mean field limit is translated into a semiclassical problem with a small parameter {epsilon}{yields}0, after introducing an {epsilon}-dependent bosonic quantization. The limits of quantum correlation functions are expressed as a push forward by a nonlinear flow (e.g., Hartree) of the associated Wigner measures. These object and their basic properties were introduced by Ammari and Nier in the infinite dimensional setting. The additional result presented here states that the transport by the nonlinear flow holds for a rather general class of quantum states in their mean field limit.

  9. Dynamical mean field solution of the Bose-Hubbard model.

    PubMed

    Anders, Peter; Gull, Emanuel; Pollet, Lode; Troyer, Matthias; Werner, Philipp

    2010-08-27

    We present the effective action and self-consistency equations for the bosonic dynamical mean field approximation to the bosonic Hubbard model and show that it provides remarkably accurate phase diagrams and correlation functions. To solve the bosonic dynamical mean field equations, we use a continuous-time Monte Carlo method for bosonic impurity models based on a diagrammatic expansion in the hybridization and condensate coupling. This method is readily generalized to bosonic mixtures, spinful bosons, and Bose-Fermi mixtures.

  10. Mean-field descriptions of collective migration with strong adhesion.

    PubMed

    Johnston, Stuart T; Simpson, Matthew J; Baker, Ruth E

    2012-05-01

    Random walk models based on an exclusion process with contact effects are often used to represent collective migration where individual agents are affected by agent-to-agent adhesion. Traditional mean-field representations of these processes take the form of a nonlinear diffusion equation which, for strong adhesion, does not predict the averaged discrete behavior. We propose an alternative suite of mean-field representations, showing that collective migration with strong adhesion can be accurately represented using a moment closure approach.

  11. Mean-field Ohm's law and coaxial helicity injection in force-free plasmas

    SciTech Connect

    Weening, R. H.

    2011-12-15

    A theoretical analysis of steady-state coaxial helicity injection (CHI) in force-free plasmas is presented using a parallel mean-field Ohm's law that includes resistivity {eta} and hyper-resistivity {Lambda} terms. Using Boozer coordinates, a partial differential equation is derived for the time evolution of the mean-field poloidal magnetic flux, or magnetic Hamiltonian function, from the parallel mean-field Ohm's law. A general expression is obtained from the mean-field theory for the efficiency of CHI current drive in force-free plasmas. Inductances of internal energy, magnetic helicity, and poloidal magnetic flux are used to characterize axisymmetric plasma equilibria that have a model current profile. Using the model current profile, a method is suggested to determine the level of magnetohydrodynamic activity at the magnetic axis and the consequent deviation from the completely relaxed Taylor state. The mean-field Ohm's law model suggests that steady-state CHI can be viewed most simply as a boundary layer problem.

  12. A Maximum Principle for SDEs of Mean-Field Type

    SciTech Connect

    Andersson, Daniel Djehiche, Boualem

    2011-06-15

    We study the optimal control of a stochastic differential equation (SDE) of mean-field type, where the coefficients are allowed to depend on some functional of the law as well as the state of the process. Moreover the cost functional is also of mean-field type, which makes the control problem time inconsistent in the sense that the Bellman optimality principle does not hold. Under the assumption of a convex action space a maximum principle of local form is derived, specifying the necessary conditions for optimality. These are also shown to be sufficient under additional assumptions. This maximum principle differs from the classical one, where the adjoint equation is a linear backward SDE, since here the adjoint equation turns out to be a linear mean-field backward SDE. As an illustration, we apply the result to the mean-variance portfolio selection problem.

  13. Mean-field fluid behavior of the gaussian core model

    PubMed

    Louis; Bolhuis; Hansen

    2000-12-01

    We show that the Gaussian core model of particles interacting via a penetrable repulsive Gaussian potential, first considered by Stillinger [J. Chem. Phys. 65, 3968 (1976)], behaves as a weakly correlated "mean-field fluid" over a surprisingly wide density and temperature range. In the bulk, the structure of the fluid phase is accurately described by the random phase approximation for the direct correlation function, and by the more sophisticated hypernetted chain integral equation. The resulting pressure deviates very little from a simple mean-field-like quadratic form in the density, while the low density virial expansion turns out to have an extremely small radius of convergence. Density profiles near a hard wall are also very accurately described by the corresponding mean-field free-energy functional. The binary version of the model exhibits a spinodal instability against demixing at high densities. Possible implications for semidilute polymer solutions are discussed.

  14. MEAN FIELD AND MONTE CARLO MODELING OF MULTIBLOCK COPOLYMERS

    SciTech Connect

    K. RASMUSSEN; ET AL

    2001-01-01

    The authors discuss and apply extensions needed to treat multiblock copolymers within the mean field theoretical framework for microphase separation in diblock copolymer metals, originally due to Leibler. The mean field calculations are complemented by lattice Monte Carlo realizations using the bond fluctuation model. They find that the microphase separation transition occurs at larger {sub {chi}}N as the number of blocks in increased beyond two (i.e., beyond diblock), and that the characteristic length scale of the emerging morphology decreases as the number of blocks increases. The latter prediction is in qualitative agreement with published experimental results due to Sontak and co-workers for model multiblock poly(styrene-isoprene) systems and recent results due to Hjelm and co-workers for a segmented poly(ester-urethane) relevant to Los Alamos interests. Additionally, the mean field predictions and bond fluctuation realizations yield consistent results.

  15. Incorporating spatial correlations into multispecies mean-field models

    NASA Astrophysics Data System (ADS)

    Markham, Deborah C.; Simpson, Matthew J.; Maini, Philip K.; Gaffney, Eamonn A.; Baker, Ruth E.

    2013-11-01

    In biology, we frequently observe different species existing within the same environment. For example, there are many cell types in a tumour, or different animal species may occupy a given habitat. In modeling interactions between such species, we often make use of the mean-field approximation, whereby spatial correlations between the locations of individuals are neglected. Whilst this approximation holds in certain situations, this is not always the case, and care must be taken to ensure the mean-field approximation is only used in appropriate settings. In circumstances where the mean-field approximation is unsuitable, we need to include information on the spatial distributions of individuals, which is not a simple task. In this paper, we provide a method that overcomes many of the failures of the mean-field approximation for an on-lattice volume-excluding birth-death-movement process with multiple species. We explicitly take into account spatial information on the distribution of individuals by including partial differential equation descriptions of lattice site occupancy correlations. We demonstrate how to derive these equations for the multispecies case and show results specific to a two-species problem. We compare averaged discrete results to both the mean-field approximation and our improved method, which incorporates spatial correlations. We note that the mean-field approximation fails dramatically in some cases, predicting very different behavior from that seen upon averaging multiple realizations of the discrete system. In contrast, our improved method provides excellent agreement with the averaged discrete behavior in all cases, thus providing a more reliable modeling framework. Furthermore, our method is tractable as the resulting partial differential equations can be solved efficiently using standard numerical techniques.

  16. Socio-economic applications of finite state mean field games.

    PubMed

    Gomes, Diogo; Velho, Roberto M; Wolfram, Marie-Therese

    2014-11-13

    In this paper, we present different applications of finite state mean field games to socio-economic sciences. Examples include paradigm shifts in the scientific community or consumer choice behaviour in the free market. The corresponding finite state mean field game models are hyperbolic systems of partial differential equations, for which we present and validate different numerical methods. We illustrate the behaviour of solutions with various numerical experiments, which show interesting phenomena such as shock formation. Hence, we conclude with an investigation of the shock structure in the case of two-state problems.

  17. Density-Dependent Properties of Hadronic Matter in the self-consistent Chiral ({sigma},{pi},{omega}) Mean-Field Model

    SciTech Connect

    Uechi, Schun T.; Uechi, Hiroshi

    2011-05-06

    Density-dependent relations among saturation properties of symmetric nuclear matter and properties of hadronic stars are discussed by applying the conserving chiral nonlinear ({sigma},{pi},{omega}) hadronic mean-field theory. The chiral nonlinear ({sigma},{pi},{omega}) mean-field theory is an extension of the conserving nonlinear (nonchiral) {sigma}-{omega} hadronic mean-field theory which is thermodynamically consistent, relativistic and is a Lorentz-covariant mean-field theory of hadrons. In the extended chiral ({sigma},{pi},{omega}) mean-field model, all the masses of hadrons are produced by the breaking of chiral symmetry, which is different from other conventional chiral partner models. By comparing both nonchiral and chiral mean-field approximations, the effects of the chiral symmetry breaking mechanism on the mass of {sigma}-meson, coefficients of nonlinear interactions and Fermi-liquid properties are investigated in nuclear matter and neutron stars.

  18. Numerical accuracy of mean-field calculations in coordinate space

    NASA Astrophysics Data System (ADS)

    Ryssens, W.; Heenen, P.-H.; Bender, M.

    2015-12-01

    Background: Mean-field methods based on an energy density functional (EDF) are powerful tools used to describe many properties of nuclei in the entirety of the nuclear chart. The accuracy required of energies for nuclear physics and astrophysics applications is of the order of 500 keV and much effort is undertaken to build EDFs that meet this requirement. Purpose: Mean-field calculations have to be accurate enough to preserve the accuracy of the EDF. We study this numerical accuracy in detail for a specific numerical choice of representation for mean-field equations that can accommodate any kind of symmetry breaking. Method: The method that we use is a particular implementation of three-dimensional mesh calculations. Its numerical accuracy is governed by three main factors: the size of the box in which the nucleus is confined, the way numerical derivatives are calculated, and the distance between the points on the mesh. Results: We examine the dependence of the results on these three factors for spherical doubly magic nuclei, neutron-rich 34Ne , the fission barrier of 240Pu , and isotopic chains around Z =50 . Conclusions: Mesh calculations offer the user extensive control over the numerical accuracy of the solution scheme. When appropriate choices for the numerical scheme are made the achievable accuracy is well below the model uncertainties of mean-field methods.

  19. Mean-field dynamo action in renovating shearing flows.

    PubMed

    Kolekar, Sanved; Subramanian, Kandaswamy; Sridhar, S

    2012-08-01

    We study mean-field dynamo action in renovating flows with finite and nonzero correlation time (τ) in the presence of shear. Previous results obtained when shear was absent are generalized to the case with shear. The question of whether the mean magnetic field can grow in the presence of shear and nonhelical turbulence, as seen in numerical simulations, is examined. We show in a general manner that, if the motions are strictly nonhelical, then such mean-field dynamo action is not possible. This result is not limited to low (fluid or magnetic) Reynolds numbers nor does it use any closure approximation; it only assumes that the flow renovates itself after each time interval τ. Specifying to a particular form of the renovating flow with helicity, we recover the standard dispersion relation of the α(2)Ω dynamo, in the small τ or large wavelength limit. Thus mean fields grow even in the presence of rapidly growing fluctuations, surprisingly, in a manner predicted by the standard quasilinear closure, even though such a closure is not strictly justified. Our work also suggests the possibility of obtaining mean-field dynamo growth in the presence of helicity fluctuations, although having a coherent helicity will be more efficient.

  20. Schrödinger Approach to Mean Field Games.

    PubMed

    Swiecicki, Igor; Gobron, Thierry; Ullmo, Denis

    2016-03-25

    Mean field games (MFG) provide a theoretical frame to model socioeconomic systems. In this Letter, we study a particular class of MFG that shows strong analogies with the nonlinear Schrödinger and Gross-Pitaevskii equations introduced in physics to describe a variety of physical phenomena. Using this bridge, many results and techniques developed along the years in the latter context can be transferred to the former, which provides both a new domain of application for the nonlinear Schrödinger equation and a new and fruitful approach in the study of mean field games. Utilizing this approach, we analyze in detail a population dynamics model in which the "players" are under a strong incentive to coordinate themselves.

  1. Generalized Mean Fields for Trapped Atomic Bose-Einstein Condensates

    PubMed Central

    Proukakis, N. P.; Burnett, K.

    1996-01-01

    We describe generalized time-dependent mean-field equations for partially condensed samples of trapped and evaporatively cooled atoms. These equations give a way of investigating the various order parameters that may be present as well as the existence of a mean value of the field due to condensed atoms. Our approach provides us with a closed system of self-consistent equations for the order parameters present. The equations we derive are shown to reduce to other treatments in the literature in various limits. We also show how the equation of motion method allows us to construct a formalism that can handle the evolution of these mean fields due to two-loop kinetics. PMID:27805101

  2. Stochastic Mean-Field Dynamics For Nuclear Collisions

    SciTech Connect

    Ayik, Sakir

    2008-11-11

    We discuss a stochastic approach to improve description of nuclear dynamics beyond the mean-field approximation at low energies. For small amplitude fluctuations, this approach gives a result for the dispersion of a one-body observable that is identical to the result obtained previously through a variational approach. Furthermore, it incorporates one-body dissipation and fluctuation mechanisms in accordance with quantal fluctuation-dissipation relation.

  3. A mean field neural network for hierarchical module placement

    NASA Technical Reports Server (NTRS)

    Unaltuna, M. Kemal; Pitchumani, Vijay

    1992-01-01

    This paper proposes a mean field neural network for the two-dimensional module placement problem. An efficient coding scheme with only O(N log N) neurons is employed where N is the number of modules. The neurons are evolved in groups of N in log N iteration steps such that the circuit is recursively partitioned in alternating vertical and horizontal directions. In our simulations, the network was able to find optimal solutions to all test problems with up to 128 modules.

  4. HBT Pion Interferometry with Phenomenological Mean Field Interaction

    NASA Astrophysics Data System (ADS)

    Hattori, K.

    2010-11-01

    To extract information on hadron production dynamics in the ultrarelativistic heavy ion collision, the space-time structure of the hadron source has been measured using Hanbury Brown and Twiss interferometry. We study the distortion of the source images due to the effect of a final state interaction. We describe the interaction, taking place during penetrating through a cloud formed by evaporating particles, in terms of a one-body mean field potential localized in the vicinity of the source region. By adopting the semiclassical method, the modification of the propagation of an emitted particle is examined. In analogy to the optical model applied to nuclear reactions, our phenomenological model has an imaginary part of the potential, which describes the absorption in the cloud. In this work, we focus on the pion interferometry and mean field interaction obtained using a phenomenological pipi forward scattering amplitude in the elastic channels. The p-wave scattering wit h rho meson resonance leads to an attractive mean field interaction, and the presence of the absorptive part is mainly attributed to the formation of this resonance. We also incorporate a simple time dependence of the potential reflecting the dynamics of the evaporating source. Using the obtained potential, we examine how and to what extent the so-called HBT Gaussian radius is varied by the modification of the propagation.

  5. Back-reaction beyond the mean field approximation

    SciTech Connect

    Kluger, Y.

    1993-12-01

    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{sub 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{sub 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{sup +}e{sup {minus}} 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{sub f} expansion is truncated in the lowest order, and compare them with those of a phenomenological transport equation.

  6. Resummed mean-field inference for strongly coupled data

    NASA Astrophysics Data System (ADS)

    Jacquin, Hugo; Rançon, A.

    2016-10-01

    We present a resummed mean-field approximation for inferring the parameters of an Ising or a Potts model from empirical, noisy, one- and two-point correlation functions. Based on a resummation of a class of diagrams of the small correlation expansion of the log-likelihood, the method outperforms standard mean-field inference methods, even when they are regularized. The inference is stable with respect to sampling noise, contrarily to previous works based either on the small correlation expansion, on the Bethe free energy, or on the mean-field and Gaussian models. Because it is mostly analytic, its complexity is still very low, requiring an iterative algorithm to solve for N auxiliary variables, that resorts only to matrix inversions and multiplications. We test our algorithm on the Sherrington-Kirkpatrick model submitted to a random external field and large random couplings, and demonstrate that even without regularization, the inference is stable across the whole phase diagram. In addition, the calculation leads to a consistent estimation of the entropy of the data and allows us to sample form the inferred distribution to obtain artificial data that are consistent with the empirical distribution.

  7. The glass crossover from mean-field Spin-Glasses to supercooled liquids

    NASA Astrophysics Data System (ADS)

    Rizzo, Tommaso

    2016-03-01

    Stochastic-Beta-Relaxation provides a characterisation of the glass crossover in discontinuous Spin-Glasses and supercoooled liquid. Notably it can be derived through a rigorous computation from a dynamical Landau theory. In this paper, I will discuss the precise meaning of this connection in a language that does not require familiarity with statistical field theory. I will discuss finite-size corrections in mean-field Spin-Glass models and loop corrections in finite-dimensional models that are both described by the dynamical Landau theory considered. Then I will argue that the same Landau theory can be associated to supercooled liquid described by Mode-Coupling Theory invoking a physical principle of time-scale invariance.

  8. Mean field annealing: a formalism for constructing GNC-like algorithms.

    PubMed

    Bilbro, G L; Snyder, W E; Garnier, S J; Gault, J W

    1992-01-01

    Optimization problems are approached using mean field annealing (MFA), which is a deterministic approximation, using mean field theory and based on Peierls's inequality, to simulated annealing. The MFA mathematics are applied to three different objective function examples. In each case, MFA produces a minimization algorithm that is a type of graduated nonconvexity. When applied to the ;weak-membrane' objective, MFA results in an algorithm qualitatively identical to the published GNC algorithm. One of the examples, MFA applied to a piecewise-constant objective function, is then compared experimentally with the corresponding GNC weak-membrane algorithm. The mathematics of MFA are shown to provide a powerful and general tool for deriving optimization algorithms.

  9. Mott transition in the dynamic Hubbard model within slave boson mean-field approach

    NASA Astrophysics Data System (ADS)

    Le, Duc-Anh

    2014-04-01

    At zero temperature, the Kotliar-Ruckenstein slave boson mean-field approach is applied to the dynamic Hubbard model. In this paper, the influences of the dynamics of the auxiliary boson field on the Mott transition are investigated. At finite boson frequency, the Mott-type features of the Hubbard model is found to be enhanced by increasing the pseudospin coupling parameter g. For sufficiently large pseudospin coupling g, the Mott transition occurs even for modest values of the bare Hubbard interaction U. The lack of electron-hole symmetry is highlighted through the quasiparticle weight. Our results are in good agreement with the ones obtained by two-site dynamical mean-field theory and determinant quantum Monte Carlo simulation.

  10. An assessment of mean-field mixed semiclassical approaches: Equilibrium populations and algorithm stability

    NASA Astrophysics Data System (ADS)

    Bellonzi, Nicole; Jain, Amber; Subotnik, Joseph E.

    2016-04-01

    We study several recent mean-field semiclassical dynamics methods, focusing on the ability to recover detailed balance for long time (equilibrium) populations. We focus especially on Miller and Cotton's [J. Phys. Chem. A 117, 7190 (2013)] suggestion to include both zero point electronic energy and windowing on top of Ehrenfest dynamics. We investigate three regimes: harmonic surfaces with weak electronic coupling, harmonic surfaces with strong electronic coupling, and anharmonic surfaces with weak electronic coupling. In most cases, recent additions to Ehrenfest dynamics are a strong improvement upon mean-field theory. However, for methods that include zero point electronic energy, we show that anharmonic potential energy surfaces often lead to numerical instabilities, as caused by negative populations and forces. We also show that, though the effect of negative forces can appear hidden in harmonic systems, the resulting equilibrium limits do remain dependent on any windowing and zero point energy parameters.

  11. Thermal entanglement of spins in mean-field clusters

    SciTech Connect

    Asoudeh, M.; Karimipour, V.

    2006-06-15

    We determine thermal entanglement in mean-field clusters of N spin one-half particles interacting via the anisotropic Heisenberg interaction, with and without external magnetic field. For the xxx cluster in the absence of magnetic field we prove that only the N=2 ferromagnetic cluster shows entanglement. An external magnetic field B can only entangle xxx antiferromagnetic clusters in certain regions of the B-T plane. On the other hand, the xxz clusters of size N>2 are entangled only when the interaction is ferromagnetic. Detailed dependence of the entanglement on various parameters is investigated in each case.

  12. Mean-Field Inference in Gaussian Restricted Boltzmann Machine

    NASA Astrophysics Data System (ADS)

    Takahashi, Chako; Yasuda, Muneki

    2016-03-01

    A Gaussian restricted Boltzmann machine (GRBM) is a Boltzmann machine defined on a bipartite graph and is an extension of usual restricted Boltzmann machines. A GRBM consists of two different layers: a visible layer composed of continuous visible variables and a hidden layer composed of discrete hidden variables. In this paper, we derive two different inference algorithms for GRBMs based on the naïve mean-field approximation (NMFA). One is an inference algorithm for whole variables in a GRBM, and the other is an inference algorithm for partial variables in a GBRBM. We compare the two methods analytically and numerically and show that the latter method is better.

  13. Isomeric state in {sup 53}Co: A mean field analysis

    SciTech Connect

    Patra, S. K.; Bhat, F. H.; Panda, R. N.; Arumugam, P.; Gupta, Raj K.

    2009-04-15

    We study the ground and the first excited intrinsic states of {sup 53}Co and its mirror nucleus {sup 53}Fe, within the frameworks of the relativistic and nonrelativistic mean field formalisms. The analysis of the single-particle energy spectra of these nuclei show a competition of spins 1/2{sup -} and 3/2{sup -} in a low-lying excited state, which agrees well with the recent experimental observation [D. Rudolph et al., Eur. Phys. J. A 36, 131 (2008)] of spin and parity J{sup {pi}}=3/2{sup -} for the isomeric configuration in {sup 53}Co.

  14. Mean Field Evolution of Fermions with Coulomb Interaction

    NASA Astrophysics Data System (ADS)

    Porta, Marcello; Rademacher, Simone; Saffirio, Chiara; Schlein, Benjamin

    2017-03-01

    We study the many body Schrödinger evolution of weakly coupled fermions interacting through a Coulomb potential. We are interested in a joint mean field and semiclassical scaling, that emerges naturally for initially confined particles. For initial data describing approximate Slater determinants, we prove convergence of the many-body evolution towards Hartree-Fock dynamics. Our result holds under a condition on the solution of the Hartree-Fock equation, that we can only show in a very special situation (translation invariant data, whose Hartree-Fock evolution is trivial), but that we expect to hold more generally.

  15. A mean field Ohm`s law for collisionless plasmas

    SciTech Connect

    Biglari, H.; Diamond, P.H. |

    1993-06-01

    A mean field Ohm`s law valid for collisionless plasmas is derived kinetically. It is shown that contrary to conventional thinking, the resulting hyper-resistivity is significantly smaller than its fluid counterpart due to the fact that the turbulent decorrelation rate is linked to the rapid electron ballistic motion rather than the slower nonlinear mixing time. Moreover, the off-diagonal contributions to the parallel electron momentum flux are shown to result in Ohm`s law renormalizations that dwarf the current diffusivity and break radial parity symmetry. Thus, the conventional wisdom of tearing and twisting parity solutions appears to be vitiated in the turbulent collisionless regime.

  16. Relativistic mean field calculations in neutron-rich nuclei

    SciTech Connect

    Gangopadhyay, G.; Bhattacharya, Madhubrata; Roy, Subinit

    2014-08-14

    Relativistic mean field calculations have been employed to study neutron rich nuclei. The Lagrange's equations have been solved in the co-ordinate space. The effect of the continuum has been effectively taken into account through the method of resonant continuum. It is found that BCS approximation performs as well as a more involved Relativistic Continuum Hartree Bogoliubov approach. Calculations reveal the possibility of modification of magic numbers in neutron rich nuclei. Calculation for low energy proton scattering cross sections shows that the present approach reproduces the density in very light neutron rich nuclei.

  17. A mean field Ohm's law for collisionless plasmas

    SciTech Connect

    Biglari, H. ); Diamond, P.H. )

    1993-11-01

    A mean field Ohm's law valid for collisionless plasmas is derived kinetically. It is shown that contrary to conventional thinking, the resulting hyperresistivity is significantly smaller than its fluid counterpart due to the fact that the turbulent decorrelation rate is linked to the rapid electron ballistic motion rather than the slower nonlinear mixing time. Moreover, the off-diagonal contributions to the parallel electron momentum flux are shown to result in Ohm's law renormalizations that dwarf the current diffusivity and break radial parity symmetry.

  18. Beyond the relativistic mean-field approximation -- collective correlations

    NASA Astrophysics Data System (ADS)

    Li, Zhipan; Nikšić, Tamara; Vretenar, Dario; Yao, Jiangming

    Semi-empirical relativistic energy density functionals (EDFs) or effective interactions implicitly comprise short-range correlations related to the repulsive core of the inter-nucleon interaction, and long-range correlations mediated by nuclear resonance modes. To model spectroscopic properties of finite nuclei, the self-consistent mean-field method must be extended to include collective correlations that arise from restoration of broken symmetries and fluctuations in collective coordinates. These correlations are sensitive to shell effects, vary with particle number, and cannot be included in a universal EDF. We review and compare recent advances in "beyond mean-field" methods based on relativistic EDFs: the angular-momentum and particle-number projected triaxial generator coordinate method, the five-dimensional quadrupole collective Hamiltonian and the axial quadrupole-octupole collective Hamiltonian models. Illustrative applications include low-energy collective excitation spectra and electromagnetic transition rates of nuclei characterised by quadrupole and/or octupole deformations: 24Mg, 76Kr, 240Pu and 224Ra, in comparison with available data.

  19. Mean-field limit of systems with multiplicative noise.

    PubMed

    Muñoz, Miguel A; Colaiori, Francesca; Castellano, Claudio

    2005-11-01

    A detailed study of the mean-field solution of Langevin equations with multiplicative noise is presented. Three different regimes depending on noise intensity (weak, intermediate, and strong noise) are identified by performing a self-consistent calculation on a fully connected lattice. The most interesting, strong-noise, regime is shown to be intrinsically unstable with respect to the inclusion of fluctuations, as a Ginzburg criterion shows. On the other hand, the self-consistent approach is shown to be valid only in the thermodynamic limit, while for finite systems the critical behavior is found to be different. In this last case, the self-consistent field itself is broadly distributed rather than taking a well defined mean value; its fluctuations, described by an effective zero-dimensional multiplicative noise equation, govern the critical properties. These findings are obtained analytically for a fully connected graph, and verified numerically both on fully connected graphs and on random regular networks. The results presented here shed some doubt on what is the validity and meaning of a standard mean-field approach in systems with multiplicative noise in finite dimensions, where each site does not see an infinite number of neighbors, but a finite one. The implications of all this on the existence of a finite upper critical dimension for multiplicative noise and Kardar-Parisi-Zhang problems are briefly discussed.

  20. Kinetic and mean field description of Gibrat's law

    NASA Astrophysics Data System (ADS)

    Toscani, Giuseppe

    2016-11-01

    I introduce and analyze a linear kinetic model that describes the evolution of the probability density of the number of firms in a society, in which the microscopic rate of change obeys to the so-called law of proportional effect proposed by Gibrat (1930, 1931). Despite its apparent simplicity, the possible mean field limits of the kinetic model are varied. In some cases, the asymptotic limit can be described by a first-order partial differential equation. In other cases, the mean field equation is a linear diffusion with a non constant diffusion coefficient that can be studied analytically, by virtue of a transformation of variables recently utilized in Iagar and Sánchez (2013) to study the heat equation in a nonhomogeneous medium with critical density. In this case, it is shown that the large-time behavior of the solution is represented, for a large class of initial data, by a lognormal distribution with constant mean value and variance increasing exponentially in time at a precise rate.

  1. Simulated Tempering and Swapping on Mean-Field Models

    NASA Astrophysics Data System (ADS)

    Bhatnagar, Nayantara; Randall, Dana

    2016-08-01

    Simulated and parallel tempering are families of Markov Chain Monte Carlo algorithms where a temperature parameter is varied during the simulation to overcome bottlenecks to convergence due to multimodality. In this work we introduce and analyze the convergence for a set of new tempering distributions which we call entropy dampening. For asymmetric exponential distributions and the mean field Ising model with an external field simulated tempering is known to converge slowly. We show that tempering with entropy dampening distributions mixes in polynomial time for these models. Examining slow mixing times of tempering more closely, we show that for the mean-field 3-state ferromagnetic Potts model, tempering converges slowly regardless of the temperature schedule chosen. On the other hand, tempering with entropy dampening distributions converges in polynomial time to stationarity. Finally we show that the slow mixing can be very expensive practically. In particular, the mixing time of simulated tempering is an exponential factor longer than the mixing time at the fixed temperature.

  2. Topological properties of the mean-field ϕ4 model

    NASA Astrophysics Data System (ADS)

    Andronico, A.; Angelani, L.; Ruocco, G.; Zamponi, F.

    2004-10-01

    We study the thermodynamics and the properties of the stationary points (saddles and minima) of the potential energy for a ϕ4 mean-field model. We compare the critical energy vc [i.e., the potential energy v(T) evaluated at the phase transition temperature Tc ] with the energy vθ at which the saddle energy distribution show a discontinuity in its derivative. We find that, in this model, vc≫vθ , at variance to what has been found in different mean-field and short ranged systems, where the thermodynamic phase transitions take place at vc=vθ [Casetti, Pettini and Cohen, Phys. Rep. 337, 237 (2000)]. By direct calculation of the energy vs(T) of the “inherent saddles,” i.e., the saddles visited by the equilibrated system at temperature T , we find that vs(Tc)˜vθ . Thus, we argue that the thermodynamic phase transition is related to a change in the properties of the inherent saddles rather than to a change of the topology of the potential energy surface at T=Tc . Finally, we discuss the approximation involved in our analysis and the generality of our method.

  3. Mean field study of a propagation-turnover lattice model for the dynamics of histone marking

    NASA Astrophysics Data System (ADS)

    Yao, Fan; Li, FangTing; Li, TieJun

    2017-02-01

    We present a mean field study of a propagation-turnover lattice model, which was proposed by Hodges and Crabtree [Proc. Nat. Acad. Sci. 109, 13296 (2012)] for understanding how posttranslational histone marks modulate gene expression in mammalian cells. The kinetics of the lattice model consists of nucleation, propagation and turnover mechanisms, and exhibits second-order phase transition for the histone marking domain. We showed rigorously that the dynamics essentially depends on a non-dimensional parameter κ = k +/ k -, the ratio between the propagation and turnover rates, which has been observed in the simulations. We then studied the lowest order mean field approximation, and observed the phase transition with an analytically obtained critical parameter. The boundary layer analysis was utilized to investigate the structure of the decay profile of the mark density. We also studied the higher order mean field approximation to achieve sharper estimate of the critical transition parameter and more detailed features. The comparison between the simulation and theoretical results shows the validity of our theory.

  4. Mean-Field Approximation to the Hydrophobic Hydration in the Liquid-Vapor Interface of Water.

    PubMed

    Abe, Kiharu; Sumi, Tomonari; Koga, Kenichiro

    2016-03-03

    A mean-field approximation to the solvation of nonpolar solutes in the liquid-vapor interface of aqueous solutions is proposed. It is first remarked with a numerical illustration that the solvation of a methane-like solute in bulk liquid water is accurately described by the mean-field theory of liquids, the main idea of which is that the probability (Pcav) of finding a cavity in the solvent that can accommodate the solute molecule and the attractive interaction energy (uatt) that the solute would feel if it is inserted in such a cavity are both functions of the solvent density alone. It is then assumed that the basic idea is still valid in the liquid-vapor interface, but Pcav and uatt are separately functions of different coarse-grained local densities, not functions of a common local density. Validity of the assumptions is confirmed for the solvation of the methane-like particle in the interface of model water at temperatures between 253 and 613 K. With the mean-field approximation extended to the inhomogeneous system the local solubility profiles across the interface at various temperatures are calculated from Pcav and uatt obtained at a single temperature. The predicted profiles are in excellent agreement with those obtained by the direct calculation of the excess chemical potential over an interfacial region where the solvent local density varies most rapidly.

  5. The Thermodynamic Limit in Mean Field Spin Glass Models

    NASA Astrophysics Data System (ADS)

    Guerra, Francesco; Toninelli, Fabio Lucio

    We present a simple strategy in order to show the existence and uniqueness of the infinite volume limit of thermodynamic quantities, for a large class of mean field disordered models, as for example the Sherrington-Kirkpatrick model, and the Derrida p-spin model. The main argument is based on a smooth interpolation between a large system, made of N spin sites, and two similar but independent subsystems, made of N1 and N2 sites, respectively, with N1+N2=N. The quenched average of the free energy turns out to be subadditive with respect to the size of the system. This gives immediately convergence of the free energy per site, in the infinite volume limit. Moreover, a simple argument, based on concentration of measure, gives the almost sure convergence, with respect to the external noise. Similar results hold also for the ground state energy per site.

  6. A Monte Carlo investigation of the Hamiltonian mean field model

    NASA Astrophysics Data System (ADS)

    Pluchino, Alessandro; Andronico, Giuseppe; Rapisarda, Andrea

    2005-04-01

    We present a Monte Carlo numerical investigation of the Hamiltonian mean field (HMF) model. We begin by discussing canonical Metropolis Monte Carlo calculations, in order to check the caloric curve of the HMF model and study finite size effects. In the second part of the paper, we present numerical simulations obtained by means of a modified Monte Carlo procedure with the aim to test the stability of those states at minimum temperature and zero magnetization (homogeneous Quasi stationary states), which exist in the condensed phase of the model just below the critical point. For energy densities smaller than the limiting value U∼0.68, we find that these states are unstable confirming a recent result on the Vlasov stability analysis applied to the HMF model.

  7. Variation after projection with a triaxially deformed nuclear mean field

    NASA Astrophysics Data System (ADS)

    Gao, Zao-Chun; Horoi, Mihai; Chen, Y. S.

    2015-12-01

    We implemented a variation after projection (VAP) algorithm based on a triaxially deformed Hartree-Fock-Bogoliubov vacuum state. This is the first projected mean field study that includes all the quantum numbers (except parity), i.e., spin (J ), isospin (T ), and mass number (A ). Systematic VAP calculations with JTA projection have been performed for the even-even s d -shell nuclei with the USDB Hamiltonian. All the VAP ground state energies are within 500 keV above the exact shell model values. Our VAP calculations show that the spin projection has two important effects: (1) the spin projection is crucial in achieving good approximation of the full shell model calculation; (2) the intrinsic shapes of the VAP wave functions with spin projection are always triaxial, while the Hartree-Fock-Bogoliubov methods likely provide axial intrinsic shapes. Finally, our analysis suggests that one may not be possible to associate an intrinsic shape to an exact shell model wave function.

  8. Finite- to zero-range relativistic mean-field interactions

    SciTech Connect

    Niksic, T.; Vretenar, D.; Lalazissis, G. A.; Ring, P.

    2008-03-15

    We study the relation between the finite-range (meson-exchange) and zero-range (point-coupling) representations of effective nuclear interactions in the relativistic mean-field framework. Starting from the phenomenological interaction DD-ME2 with density-dependent meson-nucleon couplings, we construct a family of point-coupling effective interactions for different values of the strength parameter of the isoscalar-scalar derivative term. In the meson-exchange picture this corresponds to different values of the {sigma}-meson mass. The parameters of the isoscalar-scalar and isovector-vector channels of the point-coupling interactions are adjusted to nuclear matter and ground-state properties of finite nuclei. By comparing results for infinite and semi-infinite nuclear matter, ground-state masses, charge radii, and collective excitations, we discuss constraints on the parameters of phenomenological point-coupling relativistic effective interaction.

  9. Extended time-dependent mean-field approximation

    SciTech Connect

    Portes, D.A. Jr. |; Kodama, T.; de Toledo Piza, A.F.

    1996-09-01

    The time-dependent mean-field approximation for two dynamically coupled subsystems is extended to include correlation effects between the subsystems, allowing for decorrelation processes to develop in the reduced density matrices. The extended scheme is formulated in terms of the truncation to {ital M} terms of the Schmidt decomposition of the full density matrix. This {ital M} natural orbitals truncation scheme is compared to the exact numerical solution for a system of two coupled anharmonic oscillators in a factorized initial state. It is found that the approximation {ital M}=3 gives a good approximation to the exact results over several characteristic times of the system. {copyright} {ital 1996 The American Physical Society.}

  10. Mean-field vs. Stochastic Models for Transcriptional Regulation

    NASA Astrophysics Data System (ADS)

    Blossey, Ralf; Giuraniuc, Claudiu

    2009-03-01

    We introduce a minimal model description for the dynamics of transcriptional regulatory networks. It is studied within a mean-field approximation, i.e., by deterministic ode's representing the reaction kinetics, and by stochastic simulations employing the Gillespie algorithm. We elucidate the different results both approaches can deliver, depending on the network under study, and in particular depending on the level of detail retained in the respective description. Two examples are addressed in detail: the repressilator, a transcriptional clock based on a three-gene network realized experimentally in E. coli, and a bistable two-gene circuit under external driving, a transcriptional network motif recently proposed to play a role in cellular development.

  11. Mean-field versus stochastic models for transcriptional regulation

    NASA Astrophysics Data System (ADS)

    Blossey, R.; Giuraniuc, C. V.

    2008-09-01

    We introduce a minimal model description for the dynamics of transcriptional regulatory networks. It is studied within a mean-field approximation, i.e., by deterministic ODE’s representing the reaction kinetics, and by stochastic simulations employing the Gillespie algorithm. We elucidate the different results that both approaches can deliver, depending on the network under study, and in particular depending on the level of detail retained in the respective description. Two examples are addressed in detail: The repressilator, a transcriptional clock based on a three-gene network realized experimentally in E. coli, and a bistable two-gene circuit under external driving, a transcriptional network motif recently proposed to play a role in cellular development.

  12. Nuclear mean field on and near the drip lines

    NASA Astrophysics Data System (ADS)

    Otsuka, Takaharu; Fukunishi, Nobuhisa

    1996-01-01

    We discuss two subjects related to the structure of nuclei near the drip lines. The first is the vanishing of N = 20 magic structure in Z ≪ N = 20 nuclei. Large-scale state-of-the-art shell-model calculations with 2sld and lower 2plf shells are shown to present a unified description of N = 20 isotones with Z = 10-20, covering both stable and unstable nuclei. The calculations demonstrate that, although the N = 20 closed-shell structure remains for Z ≥ 14, the N = 20 closed-shell structure vanishes naturally towards nuclei with Z ≤ 12, giving rise to various anomalous features including those in 32Mg and 31Na. It is suggested that, in these nuclei, the deformed mean field overcomes the shell gap created by the spherical mean potential. Furthermore, the almost perfect agreement with a recent experiment is presented for the B(E2; 0 1+ → 2 1+) value of 32Mg. The second part is devoted to the mean field for loosely bound neutrons. The variational shell model (VSM) is explained with an application to the anomalous ground state of 11Be. The VSM has been proposed recently to describe the structure of neutron-rich unstable nuclei. Contrary to the failure of spherical Hartree-Fock, the anomalous {1}/{2}+ ground state and its neutron halo are reproduced with Skyrme SIII interaction. This state is bound due to dynamical coupling between the core and the loosely bound neutron which oscillates between 2 s{1}/{2} and l d{5}/{2} orbits. The direct neutron capture is discussed briefly in its relation to the neutron halo.

  13. Communication: Electronic and transport properties of molecular junctions under a finite bias: A dual mean field approach

    SciTech Connect

    Liu, Shuanglong; Feng, Yuan Ping; Zhang, Chun

    2013-11-21

    We show that when a molecular junction is under an external bias, its properties cannot be uniquely determined by the total electron density in the same manner as the density functional theory for ground state properties. In order to correctly incorporate bias-induced nonequilibrium effects, we present a dual mean field (DMF) approach. The key idea is that the total electron density together with the density of current-carrying electrons are sufficient to determine the properties of the system. Two mean fields, one for current-carrying electrons and the other one for equilibrium electrons can then be derived. Calculations for a graphene nanoribbon junction show that compared with the commonly used ab initio transport theory, the DMF approach could significantly reduce the electric current at low biases due to the non-equilibrium corrections to the mean field potential in the scattering region.

  14. Mean-field phase diagram of disordered bosons in a lattice at nonzero temperature

    NASA Astrophysics Data System (ADS)

    Krutitsky, K. V.; Pelster, A.; Graham, R.

    2006-09-01

    Bosons in a periodic lattice with on-site disorder at low but nonzero temperatures are considered within a mean-field theory. The criteria used for the definition of the superfluid, Mott insulator and Bose glass are analysed. Since the compressibility never vanishes at nonzero temperatures, it cannot be used as a general criterion. We show that the phases are unambiguously distinguished by the superfluid density and the density of states of the low-energy excitations. The phase diagram of the system is calculated. It is shown that even a tiny temperature leads to a significant shift of the boundary between the Bose glass and superfluid.

  15. First principles based mean field model for oxygen reduction reaction.

    PubMed

    Jinnouchi, Ryosuke; Kodama, Kensaku; Hatanaka, Tatsuya; Morimoto, Yu

    2011-12-21

    A first principles-based mean field model was developed for the oxygen reduction reaction (ORR) taking account of the coverage- and material-dependent reversible potentials of the elementary steps. This model was applied to the simulation of single crystal surfaces of Pt, Pt alloy and Pt core-shell catalysts under Ar and O(2) atmospheres. The results are consistent with those shown by past experimental and theoretical studies on surface coverages under Ar atmosphere, the shape of the current-voltage curve for the ORR on Pt(111) and the material-dependence of the ORR activity. This model suggests that the oxygen associative pathway including HO(2)(ads) formation is the main pathway on Pt(111), and that the rate determining step (RDS) is the removal step of O(ads) on Pt(111). This RDS is accelerated on several highly active Pt alloys and core-shell surfaces, and this acceleration decreases the reaction intermediate O(ads). The increase in the partial pressure of O(2)(g) increases the surface coverage with O(ads) and OH(ads), and this coverage increase reduces the apparent reaction order with respect to the partial pressure to less than unity. This model shows details on how the reaction pathway, RDS, surface coverages, Tafel slope, reaction order and material-dependent activity are interrelated.

  16. HELICITY CONSERVATION IN NONLINEAR MEAN-FIELD SOLAR DYNAMO

    SciTech Connect

    Pipin, V. V.; Sokoloff, D. D.; Zhang, H.; Kuzanyan, K. M.

    2013-05-01

    It is believed that magnetic helicity conservation is an important constraint on large-scale astrophysical dynamos. In this paper, we study a mean-field solar dynamo model that employs two different formulations of the magnetic helicity conservation. In the first approach, the evolution of the averaged small-scale magnetic helicity is largely determined by the local induction effects due to the large-scale magnetic field, turbulent motions, and the turbulent diffusive loss of helicity. In this case, the dynamo model shows that the typical strength of the large-scale magnetic field generated by the dynamo is much smaller than the equipartition value for the magnetic Reynolds number 10{sup 6}. This is the so-called catastrophic quenching (CQ) phenomenon. In the literature, this is considered to be typical for various kinds of solar dynamo models, including the distributed-type and the Babcock-Leighton-type dynamos. The problem can be resolved by the second formulation, which is derived from the integral conservation of the total magnetic helicity. In this case, the dynamo model shows that magnetic helicity propagates with the dynamo wave from the bottom of the convection zone to the surface. This prevents CQ because of the local balance between the large-scale and small-scale magnetic helicities. Thus, the solar dynamo can operate in a wide range of magnetic Reynolds numbers up to 10{sup 6}.

  17. Relativistic mean-field models and nuclear matter constraints

    SciTech Connect

    Dutra, M.; Lourenco, O.; Carlson, B. V.; Delfino, A.; Menezes, D. P.; Avancini, S. S.; Stone, J. R.; Providencia, C.; Typel, S.

    2013-05-06

    This work presents a preliminary study of 147 relativistic mean-field (RMF) hadronic models used in the literature, regarding their behavior in the nuclear matter regime. We analyze here different kinds of such models, namely: (i) linear models, (ii) nonlinear {sigma}{sup 3}+{sigma}{sup 4} models, (iii) {sigma}{sup 3}+{sigma}{sup 4}+{omega}{sup 4} models, (iv) models containing mixing terms in the fields {sigma} and {omega}, (v) density dependent models, and (vi) point-coupling ones. In the finite range models, the attractive (repulsive) interaction is described in the Lagrangian density by the {sigma} ({omega}) field. The isospin dependence of the interaction is modeled by the {rho} meson field. We submit these sets of RMF models to eleven macroscopic (experimental and empirical) constraints, used in a recent study in which 240 Skyrme parametrizations were analyzed. Such constraints cover a wide range of properties related to symmetric nuclear matter (SNM), pure neutron matter (PNM), and both SNM and PNM.

  18. Spectral Synthesis via Mean Field approach to Independent Component Analysis

    NASA Astrophysics Data System (ADS)

    Hu, Ning; Su, Shan-Shan; Kong, Xu

    2016-03-01

    We apply a new statistical analysis technique, the Mean Field approach to Independent Component Analysis (MF-ICA) in a Bayseian framework, to galaxy spectral analysis. This algorithm can compress a stellar spectral library into a few Independent Components (ICs), and the galaxy spectrum can be reconstructed by these ICs. Compared to other algorithms which decompose a galaxy spectrum into a combination of several simple stellar populations, the MF-ICA approach offers a large improvement in efficiency. To check the reliability of this spectral analysis method, three different methods are used: (1) parameter recovery for simulated galaxies, (2) comparison with parameters estimated by other methods, and (3) consistency test of parameters derived with galaxies from the Sloan Digital Sky Survey. We find that our MF-ICA method can not only fit the observed galaxy spectra efficiently, but can also accurately recover the physical parameters of galaxies. We also apply our spectral analysis method to the DEEP2 spectroscopic data, and find it can provide excellent fitting results for low signal-to-noise spectra.

  19. Classical mutual information in mean-field spin glass models

    NASA Astrophysics Data System (ADS)

    Alba, Vincenzo; Inglis, Stephen; Pollet, Lode

    2016-03-01

    We investigate the classical Rényi entropy Sn and the associated mutual information In in the Sherrington-Kirkpatrick (S-K) model, which is the paradigm model of mean-field spin glasses. Using classical Monte Carlo simulations and analytical tools we investigate the S-K model in the n -sheet booklet. This is achieved by gluing together n independent copies of the model, and it is the main ingredient for constructing the Rényi entanglement-related quantities. We find a glassy phase at low temperatures, whereas at high temperatures the model exhibits paramagnetic behavior, consistent with the regular S-K model. The temperature of the paramagnetic-glassy transition depends nontrivially on the geometry of the booklet. At high temperatures we provide the exact solution of the model by exploiting the replica symmetry. This is the permutation symmetry among the fictitious replicas that are used to perform disorder averages (via the replica trick). In the glassy phase the replica symmetry has to be broken. Using a generalization of the Parisi solution, we provide analytical results for Sn and In and for standard thermodynamic quantities. Both Sn and In exhibit a volume law in the whole phase diagram. We characterize the behavior of the corresponding densities, Sn/N and In/N , in the thermodynamic limit. Interestingly, at the critical point the mutual information does not exhibit any crossing for different system sizes, in contrast with local spin models.

  20. Resonating Valence Bonds and Mean-Field d-Wave Superconductivity in Graphite

    SciTech Connect

    Black-Schaffer, Annica M.

    2010-04-27

    We investigate the possibility of inducing superconductivity in a graphite layer by electronic correlation effects. We use a phenomenological microscopic Hamiltonian which includes nearest neighbor hopping and an interaction term which explicitly favors nearest neighbor spin-singlets through the well-known resonance valence bond (RVB) character of planar organic molecules. Treating this Hamiltonian in mean-field theory, allowing for bond-dependent variation of the RVB order parameter, we show that both s- and d-wave superconducting states are possible. The d-wave solution belongs to a two-dimensional representation and breaks time reversal symmetry. At zero doping there exists a quantum critical point at the dimensionless coupling J/t = 1.91 and the s- and d-wave solutions are degenerate for low temperatures. At finite doping the d-wave solution has a significantly higher T{sub c} than the s-wave solution. By using density functional theory we show that the doping induced from sulfur absorption on a graphite layer is enough to cause an electronically driven d-wave superconductivity at graphite-sulfur interfaces. We also discuss applying our results to the case of the intercalated graphites as well as the validity of a mean-field approach.

  1. On the genesis of spike-wave oscillations in a mean-field model of human thalamic and corticothalamic dynamics

    NASA Astrophysics Data System (ADS)

    Rodrigues, Serafim; Terry, John R.; Breakspear, Michael

    2006-07-01

    In this Letter, the genesis of spike-wave activity—a hallmark of many generalized epileptic seizures—is investigated in a reduced mean-field model of human neural activity. Drawing upon brain modelling and dynamical systems theory, we demonstrate that the thalamic circuitry of the system is crucial for the generation of these abnormal rhythms, observing that the combination of inhibition from reticular nuclei and excitation from the cortical signal, interplay to generate the spike-wave oscillation. The mechanism revealed provides an explanation of why approaches based on linear stability and Heaviside approximations to the activation function have failed to explain the phenomena of spike-wave behaviour in mean-field models. A mathematical understanding of this transition is a crucial step towards relating spiking network models and mean-field approaches to human brain modelling.

  2. Magnetic material in mean-field dynamos driven by small scale helical flows

    NASA Astrophysics Data System (ADS)

    Giesecke, A.; Stefani, F.; Gerbeth, G.

    2014-07-01

    We perform kinematic simulations of dynamo action driven by a helical small scale flow of a conducting fluid in order to deduce mean-field properties of the combined induction action of small scale eddies. We examine two different flow patterns in the style of the G O Roberts flow but with a mean vertical component and with internal fixtures that are modelled by regions with vanishing flow. These fixtures represent either rods that lie in the center of individual eddies, or internal dividing walls that provide a separation of the eddies from each other. The fixtures can be made of magnetic material with a relative permeability larger than one which can alter the dynamo behavior. The investigations are motivated by the widely unknown induction effects of the forced helical flow that is used in the core of liquid sodium cooled fast reactors, and from the key role of soft iron impellers in the von-Kármán-sodium dynamo. For both examined flow configurations the consideration of magnetic material within the fluid flow causes a reduction of the critical magnetic Reynolds number of up to 25%. The development of the growth-rate in the limit of the largest achievable permeabilities suggests no further significant reduction for even larger values of the permeability. In order to study the dynamo behavior of systems that consist of tens of thousands of helical cells we resort to the mean-field dynamo theory (Krause and Rädler 1980 Mean-field Magnetohydrodynamics and Dynamo Theory (Oxford: Pergamon)) in which the action of the small scale flow is parameterized in terms of an α- and β-effect. We compute the relevant elements of the α- and the β-tensor using the so called testfield method. We find a reasonable agreement between the fully resolved models and the corresponding mean-field models for wall or rod materials in the considered range 1\\leqslant {{\\mu }_{r}}\\leqslant 20. Our results may be used for the development of global large scale models with recirculation

  3. Building Relativistic Mean-Field Models for Atomic Nuclei and Neutron Stars

    NASA Astrophysics Data System (ADS)

    Chen, Wei-Chia; Piekarewicz, Jorge

    2014-03-01

    Nuclear energy density functional (EDF) theory has been quite successful in describing nuclear systems such as atomic nuclei and nuclear matter. However, when building new models, attention is usually paid to the best-fit parameters only. In recent years, focus has been shifted to the neighborhood around the minimum of the chi-square function as well. This powerful covariance analysis is able to provide important information bridging experiments, observations, and theories. In this work, we attempt to build a specific type of nuclear EDFs, the relativistic mean-field models, which treat atomic nuclei, nuclear matter, and neutron stars on the same footing. The application of covariance analysis can reveal correlations between observables of interest. The purpose is to elucidate the alleged relations between the neutron skin of heavy nuclei and the size of neutron stars, and to develop insight into future investigations.

  4. Magnetic Field Line Random Walk in Isotropic Turbulence with Varying Mean Field

    NASA Astrophysics Data System (ADS)

    Sonsrettee, W.; Subedi, P.; Ruffolo, D.; Matthaeus, W. H.; Snodin, A. P.; Wongpan, P.; Chuychai, P.; Rowlands, G.; Vyas, S.

    2016-08-01

    In astrophysical plasmas, the magnetic field line random walk (FLRW) plays an important role in guiding particle transport. The FLRW behavior is scaled by the Kubo number R=(b/{B}0)({{\\ell }}\\parallel /{{\\ell }}\\perp ) for rms magnetic fluctuation b, large-scale mean field {{\\boldsymbol{B}}}0, and coherence scales parallel ({{\\ell }}\\parallel ) and perpendicular ({{\\ell }}\\perp ) to {{\\boldsymbol{B}}}0. Here we use a nonperturbative analytic framework based on Corrsin’s hypothesis, together with direct computer simulations, to examine the R-scaling of the FLRW for varying B 0 with finite b and isotropic fluctuations with {{\\ell }}\\parallel /{{\\ell }}\\perp =1, instead of the well-studied route of varying {{\\ell }}\\parallel /{{\\ell }}\\perp for b \\ll {B}0. The FLRW for isotropic magnetic fluctuations is also of astrophysical interest regarding transport processes in the interstellar medium. With a mean field, fluctuations may have variance anisotropy, so we consider limiting cases of isotropic variance and transverse variance (with b z = 0). We obtain analytic theories, and closed-form solutions for extreme cases. Padé approximants are provided to interpolate all versions of theory and simulations to any B 0. We demonstrate that, for isotropic turbulence, Corrsin-based theories generally work well, and with increasing R there is a transition from quasilinear to Bohm diffusion. This holds even with b z = 0, when different routes to R\\to ∞ are mathematically equivalent; in contrast with previous studies, we find that a Corrsin-based theory with random ballistic decorrelation works well even up to R = 400, where the effects of trapping are barely perceptible in simulation results.

  5. Mean field lattice model for adsorption isotherms in zeolite NaA

    NASA Astrophysics Data System (ADS)

    Ayappa, K. G.; Kamala, C. R.; Abinandanan, T. A.

    1999-05-01

    Using a lattice model for adsorption in microporous materials, pure component adsorption isotherms are obtained within a mean field approximation for methane at 300 K and xenon at 300 and 360 K in zeolite NaA. It is argued that the increased repulsive adsorbate-adsorbate interactions at high coverages must play an important role in determining the adsorption behavior. Therefore, this feature is incorporated through a "coverage-dependent interaction" model, which introduces a free, adjustable parameter. Another important feature, the site volume reduction, has been treated in two ways: a van der Waal model and a 1D hard-rod theory [van Tassel et al., AIChE J. 40, 925 (1994)]; we have also generalized the latter to include all possible adsorbate overlap scenarios. In particular, the 1D hard-rod model, with our coverage-dependent interaction model, is shown to be in best quantitative agreement with the previous grand canonical Monte Carlo isotherms. The expressions for the isosteric heats of adsorption indicate that attractive and repulsive adsorbate-adsorbate interactions increase and decrease the heats of adsorption, respectively. It is concluded that within the mean field approximation, our simple model for repulsive interactions and the 1D hard-rod model for site volume reduction are able to capture most of the important features of adsorption in confined regions.

  6. Elementary proof of convergence to the mean-field model for the SIR process.

    PubMed

    Armbruster, Benjamin; Beck, Ekkehard

    2016-12-21

    The susceptible-infected-recovered (SIR) model has been used extensively to model disease spread and other processes. Despite the widespread usage of this ordinary differential equation (ODE) based model which represents the mean-field approximation of the underlying stochastic SIR process on contact networks, only few rigorous approaches exist and these use complex semigroup and martingale techniques to prove that the expected fraction of the susceptible and infected nodes of the stochastic SIR process on a complete graph converges as the number of nodes increases to the solution of the mean-field ODE model. Extending the elementary proof of convergence for the SIS process introduced by Armbruster and Beck (IMA J Appl Math, doi: 10.1093/imamat/hxw010 , 2016) to the SIR process, we show convergence using only a system of three ODEs, simple probabilistic inequalities, and basic ODE theory. Our approach can also be generalized to many other types of compartmental models (e.g., susceptible-infected-recovered-susceptible (SIRS)) which are linear ODEs with the addition of quadratic terms for the number of new infections similar to the SI term in the SIR model.

  7. Anomalous mean-field behavior of the fully connected Ising model.

    PubMed

    Colonna-Romano, Louis; Gould, Harvey; Klein, W

    2014-10-01

    Although the fully connected Ising model does not have a length scale, we show that the critical exponents for thermodynamic quantities such as the mean magnetization and the susceptibility can be obtained using finite size scaling with the scaling variable equal to N, the number of spins. Surprisingly, the mean value and the most probable value of the magnetization are found to scale differently with N at the critical temperature of the infinite system, and the magnetization probability distribution is not a Gaussian, even for large N. Similar results inconsistent with the usual understanding of mean-field theory are found at the spinodal. We relate these results to the breakdown of hyperscaling and show that hyperscaling can be restored by increasing N while holding the Ginzburg parameter rather than the temperature fixed, or by doing finite size scaling at the pseudocritical temperature where the susceptibility is a maximum for a given value of N. We conclude that finite size scaling for the fully connected Ising model yields different results depending on how the mean-field limit is approached.

  8. Relativistic mean-field hadronic models under nuclear matter constraints

    NASA Astrophysics Data System (ADS)

    Dutra, M.; Lourenço, O.; Avancini, S. S.; Carlson, B. V.; Delfino, A.; Menezes, D. P.; Providência, C.; Typel, S.; Stone, J. R.

    2014-11-01

    Background: The microscopic composition and properties of infinite hadronic matter at a wide range of densities and temperatures have been subjects of intense investigation for decades. The equation of state (EoS) relating pressure, energy density, and temperature at a given particle number density is essential for modeling compact astrophysical objects such as neutron stars, core-collapse supernovae, and related phenomena, including the creation of chemical elements in the universe. The EoS depends not only on the particles present in the matter, but, more importantly, also on the forces acting among them. Because a realistic and quantitative description of infinite hadronic matter and nuclei from first principles in not available at present, a large variety of phenomenological models has been developed in the past several decades, but the scarcity of experimental and observational data does not allow a unique determination of the adjustable parameters. Purpose: It is essential for further development of the field to determine the most realistic parameter sets and to use them consistently. Recently, a set of constraints on properties of nuclear matter was formed and the performance of 240 nonrelativistic Skyrme parametrizations was assessed [M. Dutra et al., Phys. Rev. C 85, 035201 (2012), 10.1103/PhysRevC.85.035201] in describing nuclear matter up to about three times nuclear saturation density. In the present work we examine 263 relativistic-mean-field (RMF) models in a comparable approach. These models have been widely used because of several important aspects not always present in nonrelativistic models, such as intrinsic Lorentz covariance, automatic inclusion of spin, appropriate saturation mechanism for nuclear matter, causality, and, therefore, no problems related to superluminal speed of sound in medium. Method: Three different sets of constraints related to symmetric nuclear matter, pure neutron matter, symmetry energy, and its derivatives were used. The

  9. Ground State Properties of Z=126 Isotopes within the Relativistic Mean Field Model

    NASA Astrophysics Data System (ADS)

    Yu, Qi-Xin; Li, Jun-Qing; Zhang, Hong-Fei

    2017-01-01

    The ground state properties of Z = 126 isotopes with neutron numbers N = 174-244 are calculated by the relativistic mean field (RMF) theory with effective interactions NL-Z2. In order to make a comprehensive understanding of the possible proton magic number Z = 126, we also perform the calculations in the vicinity of Z = 126, such as Z = 114,116,118,120,122,124,128 and 130 isotopic chains. The calculated results show there exist evident magicity for proton number Z = 120 and relatively weak magicity for proton number Z = 126. Supported by the National Natural Science Foundation of China under Grant Nos. 11675066, 11475050, 11265013, and the CAS Knowledge Innovation under Grant No. KJCX2-EW-N02

  10. Configuration mixing calculation for complete low-lying spectra with a mean-field Hamiltonian

    SciTech Connect

    Shinohara, Satoshi; Ohta, Hirofumi; Nakatsukasa, Takashi; Yabana, Kazuhiro

    2006-11-15

    We propose a new theoretical approach to ground and low-energy excited states of nuclei extending the nuclear mean-field theory. It consists of three steps: stochastic preparation of many Slater determinants, the parity and angular-momentum projection, and diagonalization of the generalized eigenvalue problems. The Slater determinants are constructed in the three-dimensional Cartesian coordinate representation capable of describing arbitrary shape of nuclei. We examine feasibility and usefulness of the method by applying the method with the Bonche-Koonin-Negele interaction to light 4N nuclei, {sup 12}C, {sup 16}O, and {sup 20}Ne. We discuss difficulties of keeping linear independence for basis states projected on good parity and angular momentum and present a possible prescription.

  11. Extended dynamical mean-field study of the Hubbard model with long-range interactions

    NASA Astrophysics Data System (ADS)

    Huang, Li; Ayral, Thomas; Biermann, Silke; Werner, Philipp

    2014-11-01

    Using extended dynamical mean-field theory and its combination with the G W approximation, we compute the phase diagrams and local spectral functions of the single-band extended Hubbard model on the square and simple cubic lattices, considering long-range interactions up to the third nearest neighbors. The longer-range interactions shift the boundaries between the metallic, charge-ordered insulating, and Mott insulating phases, and lead to characteristic changes in the screening modes and local spectral functions. Momentum-dependent self-energy contributions enhance the correlation effects and thus compete with the additional screening effect from longer-range Coulomb interactions. Our results suggest that the influence of longer-range intersite interactions is significant, and that these effects deserve attention in realistic studies of correlated materials.

  12. Predicting the mean fields of compressible turbulent boundary layer via a symmetry approach

    NASA Astrophysics Data System (ADS)

    Bi, Wei-Tao; Wu, Bin; She, Zhen-Su

    2016-11-01

    A symmetry approach for canonical wall turbulence is extended to develop mean-field predictions for compressible turbulent boundary layer (CTBL). A stress length and a weighted heat flux length are identified to obey the multilayer dilation symmetry of canonical flows, giving rise to predictions of the mean velocity and temperature profiles for a range of Reynolds number (Re), Mach number (Ma) and wall temperature (Tw). Also predicted are the streamwise developments of the shape factor, the boundary layer edge velocity and the boundary layer thicknesses, etc. Only three parameters are involved in the predictions, which have sound physics and organized behaviors with respect to the Re, Ma and Tw effects. The predictions are extensively validated by direct numerical simulation and experimental data, showing better accuracies than the previous theories. The results provide new quantifications that can be used to assess computations, measurements and turbulence models of CTBL, as well as to provide new insights for the CTBL physics.

  13. Mean-field dynamic criticality and geometric transition in the Gaussian core model

    NASA Astrophysics Data System (ADS)

    Coslovich, Daniele; Ikeda, Atsushi; Miyazaki, Kunimasa

    2016-04-01

    We use molecular dynamics simulations to investigate dynamic heterogeneities and the potential energy landscape of the Gaussian core model (GCM). Despite the nearly Gaussian statistics of particles' displacements, the GCM exhibits giant dynamic heterogeneities close to the dynamic transition temperature. The divergence of the four-point susceptibility is quantitatively well described by the inhomogeneous version of the mode-coupling theory. Furthermore, the potential energy landscape of the GCM is characterized by large energy barriers, as expected from the lack of activated, hopping dynamics, and display features compatible with a geometric transition. These observations demonstrate that all major features of mean-field dynamic criticality can be observed in a physically sound, three-dimensional model.

  14. Relativistic mean-field model with energy dependent self-energies

    SciTech Connect

    Antic, S.; Typel, S.

    2015-02-24

    Conventional relativistic mean-field theory is extended with the introduction of higher-order derivative couplings of nucleons with the meson fields. The Euler-Lagrange equations follow from the principle of stationary action. From invariance principles of the Lagrangian density the most general expressions for the conserved current and energy-momentum tensor are derived. The nucleon self-energies show the explicit dependence on the meson fields. They contain additional regulator functions which describe the energy dependence. The density dependence of meson-nucleon couplings causes the apperance of additional rearrangement contributions in the self-energies. The equation of state of infinite nuclear matter is obtained and the thermodynamical consistency of the model is demonstrated. This model is applied to the description of spherical, non-rotating stars in β-equilibrium. Stellar structure is calculated by solving the Tolman-Oppenheimer-Volkov (TOV) equations. The results for neutron stars are shown in terms of mass-radius relations.

  15. Nuclear reaction cross sections of exotic nuclei in the Glauber model for relativistic mean field densities

    SciTech Connect

    Patra, S. K.; Panda, R. N.; Arumugam, P.; Gupta, Raj K.

    2009-12-15

    We have calculated the total nuclear reaction cross sections of exotic nuclei in the framework of the Glauber model, using as inputs the standard relativistic mean field (RMF) densities and the densities obtained from the more recently developed effective-field-theory-motivated RMF (the E-RMF). Both light and heavy nuclei are taken as the representative targets, and the light neutron-rich nuclei as projectiles. We found the total nuclear reaction cross section to increase as a function of the mass number, for both the target and projectile nuclei. The differential nuclear elastic scattering cross sections are evaluated for some selected systems at various incident energies. We found a large dependence of the differential elastic scattering cross section on incident energy. Finally, we have applied the same formalism to calculate both the total nuclear reaction cross section and the differential nuclear elastic scattering cross section for the recently discussed superheavy nucleus with atomic number Z=122.

  16. Collisional relaxation in the inhomogeneous Hamiltonian mean-field model: Diffusion coefficients

    NASA Astrophysics Data System (ADS)

    Benetti, F. P. C.; Marcos, B.

    2017-02-01

    Systems of particles with long-range interactions present two important processes: first, the formation of out-of-equilibrium quasistationary states (QSS) and, second, the collisional relaxation towards Maxwell-Boltzmann equilibrium in a much longer time scale. In this paper, we study the collisional relaxation in the Hamiltonian mean-field model using the appropriate kinetic equations for a system of N particles at order 1 /N : the Landau equation when collective effects are neglected and the Lenard-Balescu equation when they are taken into account. We derive explicit expressions for the diffusion coefficients using both equations for any magnetization, and we obtain analytic expressions for highly clustered configurations. An important conclusion is that in this system collective effects are crucial in order to describe the relaxation dynamics. We compare the diffusion calculated with the kinetic equations with simulations set up to simulate the system with or without collective effects, obtaining a very good agreement between theory and simulations.

  17. Interplanetary magnetic field power spectra - Mean field radial or perpendicular to radial

    NASA Technical Reports Server (NTRS)

    Sari, J. W.; Valley, G. C.

    1976-01-01

    A detailed frequency analysis of Pioneer-6 interplanetary magnetic field data is carried out for 5 to 15 hour periods during which the mean interplanetary field is approximately radial or perpendicular to radial. The reason why these data sets were chosen is that by making the usual assumption that the phase speed of any wave present is much less than the mean solar wind speed, the measured frequency spectra can be interpreted in terms of the wave number parallel or perpendicular to the mean field, without such additional assumptions as isotropy or the dominance of a particular mode and without measurements of velocity and density. The details of the calculation of the magnetic field power spectra, coherencies, and correlation functions are discussed, along with results obtained directly from the data (such as spectra, slopes, anisotropies, and coherencies). The results are interpreted in terms of MHD theory, and are related to work in other areas.

  18. Mean-field magnetohydrodynamics associated with random Alfven waves in a plasma with weak magnetic diffusion

    NASA Astrophysics Data System (ADS)

    Hamabata, Hiromitsu; Namikawa, Tomikazu

    1988-02-01

    Using first-order smoothing theory, Fourier analysis and perturbation methods, a new equation is derived governing the evolution of the spectrum tensor (including the energy and helicity spectrum functions) of the random velocity field as well as the ponderomotive and mean electromotive forces generated by random Alfven waves in a plasma with weak magnetic diffusion. The ponderomotive and mean electromotive forces are expressed as series involving spatial derivatives of mean magnetic and velocity fields whose coefficients are associated with the helicity spectrum function of the random velocity field. The effect of microscale random Alfven waves, through ponderomotive and mean electromotive forces generated by them, on the propagation of large-scale Alfven waves is also investigated by solving the mean-field equations, including the transport equation of the helicity spectrum function.

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

    NASA Astrophysics Data System (ADS)

    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

  20. Mean field spin glasses treated with PDE techniques

    NASA Astrophysics Data System (ADS)

    Barra, Adriano; Del Ferraro, Gino; Tantari, Daniele

    2013-07-01

    Following an original idea of Guerra, in these notes we analyze the Sherrington-Kirkpatrick model from different perspectives, all sharing the underlying approach which consists in linking the resolution of the statistical mechanics of the model (e.g. solving for the free energy) to well-known partial differential equation (PDE) problems (in suitable spaces). The plan is then to solve the related PDE using techniques involved in their native field and lastly bringing back the solution in the proper statistical mechanics framework. Within this strand, after a streamlined test-case on the Curie-Weiss model to highlight the methods more than the physics behind, we solve the SK both at the replica symmetric and at the 1-RSB level, obtaining the correct expression for the free energy via an analogy to a Fourier equation and for the self-consistencies with an analogy to a Burger equation, whose shock wave develops exactly at critical noise level (triggering the phase transition). Our approach, beyond acting as a new alternative method (with respect to the standard routes) for tackling the complexity of spin glasses, links symmetries in PDE theory with constraints in statistical mechanics and, as a novel result from the theoretical physics perspective, we obtain a new class of polynomial identities (namely of Aizenman-Contucci type, but merged within the Guerra's broken replica measures), whose interest lies in understanding, via the recent Panchenko breakthroughs, how to force the overlap organization to the ultrametric tree predicted by Parisi.

  1. T→0 mean-field population dynamics approach for the random 3 -satisfiability problem

    NASA Astrophysics Data System (ADS)

    Zhou, Haijun

    2008-06-01

    During the past decade, phase-transition phenomena in the random 3-satisfiability ( 3 -SAT) problem has been intensively studied by statistical physics methods. In this work, we study the random 3 -SAT problem by the mean-field first-step replica-symmetry-broken cavity theory at the limit of temperature T→0 . The reweighting parameter y of the cavity theory is allowed to approach infinity together with the inverse temperature β with fixed ratio r=y/β . Focusing on the system’s space of satisfiable configurations, we carry out extensive population dynamics simulations using the technique of importance sampling, and we obtain the entropy density s(r) and complexity Σ(r) of zero-energy clusters at different r values. We demonstrate that the population dynamics may reach different fixed points with different types of initial conditions. By knowing the trends of s(r) and Σ(r) with r , we can judge whether a certain type of initial condition is appropriate at a given r value. This work complements and confirms the results of several other very recent theoretical studies.

  2. Chain architecture and micellization: A mean-field coarse-grained model for poly(ethylene oxide) alkyl ether surfactants

    NASA Astrophysics Data System (ADS)

    García Daza, Fabián A.; Colville, Alexander J.; Mackie, Allan D.

    2015-03-01

    Microscopic modeling of surfactant systems is expected to be an important tool to describe, understand, and take full advantage of the micellization process for different molecular architectures. Here, we implement a single chain mean field theory to study the relevant equilibrium properties such as the critical micelle concentration (CMC) and aggregation number for three sets of surfactants with different geometries maintaining constant the number of hydrophobic and hydrophilic monomers. The results demonstrate the direct effect of the block organization for the surfactants under study by means of an analysis of the excess energy and entropy which can be accurately determined from the mean-field scheme. Our analysis reveals that the CMC values are sensitive to branching in the hydrophilic head part of the surfactant and can be observed in the entropy-enthalpy balance, while aggregation numbers are also affected by splitting the hydrophobic tail of the surfactant and are manifested by slight changes in the packing entropy.

  3. Chain architecture and micellization: A mean-field coarse-grained model for poly(ethylene oxide) alkyl ether surfactants

    SciTech Connect

    García Daza, Fabián A.; Mackie, Allan D.; Colville, Alexander J.

    2015-03-21

    Microscopic modeling of surfactant systems is expected to be an important tool to describe, understand, and take full advantage of the micellization process for different molecular architectures. Here, we implement a single chain mean field theory to study the relevant equilibrium properties such as the critical micelle concentration (CMC) and aggregation number for three sets of surfactants with different geometries maintaining constant the number of hydrophobic and hydrophilic monomers. The results demonstrate the direct effect of the block organization for the surfactants under study by means of an analysis of the excess energy and entropy which can be accurately determined from the mean-field scheme. Our analysis reveals that the CMC values are sensitive to branching in the hydrophilic head part of the surfactant and can be observed in the entropy-enthalpy balance, while aggregation numbers are also affected by splitting the hydrophobic tail of the surfactant and are manifested by slight changes in the packing entropy.

  4. MAGNETIC FIELD LINE RANDOM WALK IN ISOTROPIC TURBULENCE WITH ZERO MEAN FIELD

    SciTech Connect

    Sonsrettee, W.; Ruffolo, D.; Snodin, A. P.; Wongpan, P.; Subedi, P.; Matthaeus, W. H.; Chuychai, P. E-mail: david.ruf@mahidol.ac.th E-mail: pat.wongpan@postgrad.otago.ac.nz E-mail: prasub@udel.edu

    2015-01-01

    In astrophysical plasmas, magnetic field lines often guide the motions of thermal and non-thermal particles. The field line random walk (FLRW) is typically considered to depend on the Kubo number R = (b/B {sub 0})(ℓ{sub ∥}/ℓ ) for rms magnetic fluctuation b, large-scale mean field B {sub 0}, and parallel and perpendicular coherence scales ℓ{sub ∥} and ℓ , respectively. Here we examine the FLRW when R → ∞ by taking B {sub 0} → 0 for finite b{sub z} (fluctuation component along B {sub 0}), which differs from the well-studied route with b{sub z} = 0 or b{sub z} << B {sub 0} as the turbulence becomes quasi-two-dimensional (quasi-2D). Fluctuations with B {sub 0} = 0 are typically isotropic, which serves as a reasonable model of interstellar turbulence. We use a non-perturbative analytic framework based on Corrsin's hypothesis to determine closed-form solutions for the asymptotic field line diffusion coefficient for three versions of the theory, which are directly related to the k {sup –1} or k {sup –2} moment of the power spectrum. We test these theories by performing computer simulations of the FLRW, obtaining the ratio of diffusion coefficients for two different parameterizations of a field line. Comparing this with theoretical ratios, the random ballistic decorrelation version of the theory agrees well with the simulations. All results exhibit an analog to Bohm diffusion. In the quasi-2D limit, previous works have shown that Corrsin-based theories deviate substantially from simulation results, but here we find that as B {sub 0} → 0, they remain in reasonable agreement. We conclude that their applicability is limited not by large R, but rather by quasi-two-dimensionality.

  5. Perturbative Calculation of Quasi-Potential in Non-equilibrium Diffusions: A Mean-Field Example

    NASA Astrophysics Data System (ADS)

    Bouchet, Freddy; Gawȩdzki, Krzysztof; Nardini, Cesare

    2016-06-01

    In stochastic systems with weak noise, the logarithm of the stationary distribution becomes proportional to a large deviation rate function called the quasi-potential. The quasi-potential, and its characterization through a variational problem, lies at the core of the Freidlin-Wentzell large deviations theory (Freidlin and Wentzell, Random perturbations of dynamical systems, 2012). In many interacting particle systems, the particle density is described by fluctuating hydrodynamics governed by Macroscopic Fluctuation Theory (Bertini et al., arXiv:1404.6466 , 2014), which formally fits within Freidlin-Wentzell's framework with a weak noise proportional to 1/√{N}, where N is the number of particles. The quasi-potential then appears as a natural generalization of the equilibrium free energy to non-equilibrium particle systems. A key physical and practical issue is to actually compute quasi-potentials from their variational characterization for non-equilibrium systems for which detailed balance does not hold. We discuss how to perform such a computation perturbatively in an external parameter λ , starting from a known quasi-potential for λ =0. In a general setup, explicit iterative formulae for all terms of the power-series expansion of the quasi-potential are given for the first time. The key point is a proof of solvability conditions that assure the existence of the perturbation expansion to all orders. We apply the perturbative approach to diffusive particles interacting through a mean-field potential. For such systems, the variational characterization of the quasi-potential was proven by Dawson and Gartner (Stochastics 20:247-308, 1987; Stochastic differential systems, vol 96, pp 1-10, 1987). Our perturbative analysis provides new explicit results about the quasi-potential and about fluctuations of one-particle observables in a simple example

  6. Mean-field analysis for parallel asymmetric exclusion process with anticipation effect.

    PubMed

    Hao, Qing-Yi; Jiang, Rui; Hu, Mao-Bin; Wu, Qing-Song

    2010-08-01

    This paper studies an extended parallel asymmetric exclusion process, in which the anticipation effect is taken into account. The fundamental diagram of the model has been investigated via cluster mean field analysis. Different from previous mean field analysis, in which the n -cluster probabilities P(σ{i},…,σ{i+n-1}) involve the (n+2) -cluster probabilities P(τ{i-1},…,τ{i+n}) , our mean-field analysis is asymmetric because the three-cluster probabilities P(σ{i},σ{i+1},σ{i+2}) involve the six-cluster probabilities P(τ{i-1},…,τ{i+4}) . We find an excellent agreement between Monte Carlo simulations and cluster mean field analysis, which indicates that the mean field analysis might give the exact expression.

  7. Correlated electrons in delta-plutonium within a dynamical mean-field picture.

    PubMed

    Savrasov, S Y; Kotliar, G; Abrahams, E

    2001-04-12

    Given the practical importance of metallic plutonium, there is considerable interest in understanding its fundamental properties. Plutonium undergoes a 25 per cent increase in volume when transformed from its alpha-phase (which is stable below 400 K) to the delta-phase (stable at around 600 K), an effect that is crucial for issues of long-term storage and disposal. It has long been suspected that this unique property is a consequence of the special location of plutonium in the periodic table, on the border between the light and heavy actinides-here, electron wave-particle duality (or itinerant versus localized behaviour) is important. This situation has resisted previous theoretical treatment. Here we report an electronic structure method, based on dynamical mean-field theory, that enables interpolation between the band-like and atomic-like behaviour of the electron. Our approach enables us to study the phase diagram of plutonium, by providing access to the energetics and one-electron spectra of strongly correlated systems. We explain the origin of the volume expansion between the alpha- and delta-phases, predict the existence of a strong quasiparticle peak near the Fermi level and give a new viewpoint on the physics of plutonium, in which the alpha- and delta-phases are on opposite sides of the interaction-driven localization-delocalization transition.

  8. Singular-potential random-matrix model arising in mean-field glassy systems.

    PubMed

    Akemann, Gernot; Villamaina, Dario; Vivo, Pierpaolo

    2014-06-01

    We consider an invariant random matrix ensemble where the standard Gaussian potential is distorted by an additional single pole of arbitrary fixed order. Potentials with first- and second-order poles have been considered previously and found applications in quantum chaos and number theory. Here we present an application to mean-field glassy systems. We derive and solve the loop equation in the planar limit for the corresponding class of potentials. We find that the resulting mean or macroscopic spectral density is generally supported on two disconnected intervals lying on the two sides of the repulsive pole, whose edge points can be completely determined imposing the additional constraint of traceless matrices on average. For an unbounded potential with an attractive pole, we also find a possible one-cut solution for certain values of the couplings, which is ruled out when the traceless condition is imposed. Motivated by the calculation of the distribution of the spin-glass susceptibility in the Sherrington-Kirkpatrick spin-glass model, we consider in detail a second-order pole for a zero-trace model and provide the most explicit solution in this case. In the limit of a vanishing pole, we recover the standard semicircle. Working in the planar limit, our results apply to matrices with orthogonal, unitary, and symplectic invariance. Numerical simulations and an independent analytical Coulomb fluid calculation for symmetric potentials provide an excellent confirmation of our results.

  9. Singular-potential random-matrix model arising in mean-field glassy systems

    NASA Astrophysics Data System (ADS)

    Akemann, Gernot; Villamaina, Dario; Vivo, Pierpaolo

    2014-06-01

    We consider an invariant random matrix ensemble where the standard Gaussian potential is distorted by an additional single pole of arbitrary fixed order. Potentials with first- and second-order poles have been considered previously and found applications in quantum chaos and number theory. Here we present an application to mean-field glassy systems. We derive and solve the loop equation in the planar limit for the corresponding class of potentials. We find that the resulting mean or macroscopic spectral density is generally supported on two disconnected intervals lying on the two sides of the repulsive pole, whose edge points can be completely determined imposing the additional constraint of traceless matrices on average. For an unbounded potential with an attractive pole, we also find a possible one-cut solution for certain values of the couplings, which is ruled out when the traceless condition is imposed. Motivated by the calculation of the distribution of the spin-glass susceptibility in the Sherrington-Kirkpatrick spin-glass model, we consider in detail a second-order pole for a zero-trace model and provide the most explicit solution in this case. In the limit of a vanishing pole, we recover the standard semicircle. Working in the planar limit, our results apply to matrices with orthogonal, unitary, and symplectic invariance. Numerical simulations and an independent analytical Coulomb fluid calculation for symmetric potentials provide an excellent confirmation of our results.

  10. Beyond-mean-field corrections within the second random-phase approximation

    NASA Astrophysics Data System (ADS)

    Grasso, M.; Gambacurta, D.; Engel, J.

    2016-06-01

    A subtraction procedure, introduced to overcome double-counting problems in beyond-mean-field theories, is used in the second random-phase approximation (SRPA). Doublecounting problems arise in the energy-density functional framework in all cases where effective interactions tailored at leading order are used for higher-order calculations, such as those done in the SRPA model. It was recently shown that this subtraction procedure also guarantees that the stability condition related to the Thouless theorem is verified in extended RPA models. We discuss applications of the subtraction procedure, introduced within the SRPA model, to the nucleus 16O. The application of the subtraction procedure leads to: (i) stable results that are weakly cutoff dependent; (ii) a considerable upwards correction of the SRPA spectra (which were systematically shifted downwards by several MeV with respect to RPA spectra, in all previous calculations). With this important implementation of the model, many applications may be foreseen to analyze the genuine impact of 2 particle-2 hole configurations (without any cutoff dependences and anomalous shifts) on the excitation spectra of medium-mass and heavy nuclei.

  11. Quantum Dynamics of Dark and Dark-Bright Solitons beyond the Mean-Field Approximation

    NASA Astrophysics Data System (ADS)

    Krönke, Sven; Schmelcher, Peter

    2014-05-01

    Dark solitons are well-known excitations in one-dimensional repulsively interacting Bose-Einstein condensates, which feature a characteristical phase-jump across a density dip and form stability in the course of their dynamics. While these objects are stable within the celebrated Gross-Pitaevskii mean-field theory, the situation changes dramatically in the full many-body description: The condensate being initially in a dark soliton state dynamically depletes and the density notch fills up with depleted atoms. We analyze this process in detail with a particular focus on two-body correlations and the fate of grey solitons (dark solitons with finite density in the notch) and thereby complement the existing results in the literature. Moreover, we extend these studies to mixtures of two repulsively interacting bosonic species with a dark-bright soliton (dark soliton in one component filled with localized atoms of the other component) as the initial state. All these many-body quantum dynamics simulations are carried out with the recently developed multi-layer multi-configuration time-dependent Hartree method for bosons (ML-MCTDHB).

  12. Thermal conduction in polymeric nanofluids under mean field approximation: role of interfacial adsorption layers

    NASA Astrophysics Data System (ADS)

    Nisha, M. R.; Philip, J.

    2013-07-01

    Polymeric nanofluids of TiO2/PVA (polyvinyl alcohol) and Cu/PVA have been prepared by dispersing nanoparticles of TiO2 or metallic copper in PVA. The thermal diffusivities and thermal conductivities of these nanofluids have been measured as a function of particle loading following a thermal wave interference technique in a thermal wave resonant cavity. It is found that in both cases thermal conductivity increases with particle concentration, with Cu/PVA nanofluids showing a much larger increase. The results have been compared with the corresponding values calculated following different theoretical models. Comparison of the results with model-based calculations shows that the thermal conductivity variations in these nanofluids are within the framework of the classical mean field theory including the formation of thin interfacial adsorption layers around nanoparticles. Although the molecular weight of PVA is very high, it is found that the adsorption layer thickness is limited by the hydrodynamic radius of the nanoparticles. It is found that particle clustering followed by interfacial layering accounts for the larger increase in thermal conductivity found for Cu/PVA compared to TiO2/PVA.

  13. MODEL STUDY OF THE SIGN PROBLEM IN A MEAN-FIELD APPROXIMATION.

    SciTech Connect

    HIDAKA,Y.

    2007-07-30

    We study the sign problem of the fermion determinant at nonzero baryon chemical potential. For this purpose we apply a simple model derived from Quantum Chromodynamics, in the limit of large chemical potential and mass. For SU(2) color, there is no sign problem and the mean-field approximation is similar to data from the lattice. For SU(3) color the sign problem is unavoidable, even in a mean-field approximation. We apply a phase-reweighting method, combined with the mean-field approximation, to estimate thermodynamic quantities. We also investigate the meanfield free energy using a saddle-point approximation [1].

  14. Out-of-equilibrium phase transitions in the Hamiltonian mean-field model: A closer look

    NASA Astrophysics Data System (ADS)

    Staniscia, F.; Chavanis, P. H.; de Ninno, G.

    2011-05-01

    We provide a detailed discussion of out-of-equilibrium phase transitions in the Hamiltonian mean-field (HMF) model in the framework of Lynden-Bell’s statistical theory of the Vlasov equation. For two-level initial conditions, the caloric curve β(E) only depends on the initial value f0 of the distribution function. We evidence different regions in the parameter space where the nature of the phase transitions between magnetized and nonmagnetized states changes: (i) For f0>0.10965, the system displays a second-order phase transition; (ii) for 0.109497theory.

  15. Evidence against a mean-field description of short-range spin glasses revealed through thermal boundary conditions

    NASA Astrophysics Data System (ADS)

    Wang, Wenlong; Machta, Jonathan; Katzgraber, Helmut G.

    2014-11-01

    A theoretical description of the low-temperature phase of short-range spin glasses has remained elusive for decades. In particular, it is unclear if theories that assert a single pair of pure states, or theories that are based on infinitely many pure states—such as replica symmetry breaking—best describe realistic short-range systems. To resolve this controversy, the three-dimensional Edwards-Anderson Ising spin glass in thermal boundary conditions is studied numerically using population annealing Monte Carlo. In thermal boundary conditions all eight combinations of periodic vs antiperiodic boundary conditions in the three spatial directions appear in the ensemble with their respective Boltzmann weights, thus minimizing finite-size corrections due to domain walls. From the relative weighting of the eight boundary conditions for each disorder instance a sample stiffness is defined, and its typical value is shown to grow with system size according to a stiffness exponent. An extrapolation to the large-system-size limit is in agreement with a description that supports the droplet picture and other theories that assert a single pair of pure states. The results are, however, incompatible with the mean-field replica symmetry breaking picture, thus highlighting the need to go beyond mean-field descriptions to accurately describe short-range spin-glass systems.

  16. Ising spin glass with arbitrary spin beyond the mean field theory.

    PubMed

    Walasek, K; Lukierska-Walasek, K; Wodawski, M

    1999-05-01

    We consider the Ising spin glass for the arbitrary spin S with the short-ranged interaction using the Bethe-Peierls approximation previously formulated by Serva and Paladin [Phys. Rev. E. 54, 4637 (1996)] for the same system but limited to S=1/2. Results obtained by us for arbitrary S are not a simple generalization of those for S=1/2. In this paper we mainly concentrate our studies on the calculation of the critical temperature and the linear susceptibility in the paramagnetic phase as functions of the dimension of the system and spin number S. These dependences are illustrated by corresponding plots.

  17. Deformed neutron stars due to strong magnetic field in terms of relativistic mean field theories

    NASA Astrophysics Data System (ADS)

    Yanase, Kota; Yoshinaga, Naotaka

    2014-09-01

    Some observations suggest that magnetic field intensity of neutron stars that have particularly strong magnetic field, magnetars, reaches values up to 1014-15G. It is expected that there exists more strong magnetic field of several orders of magnitude in the interior of such stars. Neutron star matter is so affected by magnetic fields caused by intrinsic magnetic moments and electric charges of baryons that masses of neutron stars calculated by using Tolman-Oppenheimer-Volkoff equation is therefore modified. We calculate equation of state (EOS) in density-dependent magnetic field by using sigma-omega-rho model that can reproduce properties of stable nuclear matter in laboratory Furthermore we calculate modified masses of deformed neutron stars.

  18. Light propagation beyond the mean-field theory of standard optics.

    PubMed

    Javanainen, Juha; Ruostekoski, Janne

    2016-01-25

    With ready access to massive computer clusters we may now study light propagation in a dense cold atomic gas by means of basically exact numerical simulations. We report on a direct comparison between traditional optics, that is, electrodynamics of a polarizable medium, and numerical simulations in an elementary problem of light propagating through a slab of matter. The standard optics fails already at quite low atom densities, and the failure becomes dramatic when the average interatomic separation is reduced to around k(-1), where k is the wave number of resonant light. The difference between the two solutions originates from correlations between the atoms induced by light-mediated dipole-dipole interactions.

  19. Mean-Field Models of Structure and Dispersion of Polymer-nanoparticle Mixtures

    DTIC Science & Technology

    2010-07-29

    bare polymer matrix by as much as an order of magnitude.2,3,12–14 Gas barrier properties of butyl rubber latexes was shown to be reduced by almost 2...research developments in coarse-grained modeling based on mean-field approaches of the equilibrium dispersion and structure of polymer nanoparticle...polymernanoparticle mixtures Report Title ABSTRACT We review some recent research developments in coarse-grained modeling based on mean-field approaches of the

  20. Variational and perturbative formulations of quantum mechanical/molecular mechanical free energy with mean-field embedding and its analytical gradients

    NASA Astrophysics Data System (ADS)

    Yamamoto, Takeshi

    2008-12-01

    Conventional quantum chemical solvation theories are based on the mean-field embedding approximation. That is, the electronic wavefunction is calculated in the presence of the mean field of the environment. In this paper a direct quantum mechanical/molecular mechanical (QM/MM) analog of such a mean-field theory is formulated based on variational and perturbative frameworks. In the variational framework, an appropriate QM/MM free energy functional is defined and is minimized in terms of the trial wavefunction that best approximates the true QM wavefunction in a statistically averaged sense. Analytical free energy gradient is obtained, which takes the form of the gradient of effective QM energy calculated in the averaged MM potential. In the perturbative framework, the above variational procedure is shown to be equivalent to the first-order expansion of the QM energy (in the exact free energy expression) about the self-consistent reference field. This helps understand the relation between the variational procedure and the exact QM/MM free energy as well as existing QM/MM theories. Based on this, several ways are discussed for evaluating non-mean-field effects (i.e., statistical fluctuations of the QM wavefunction) that are neglected in the mean-field calculation. As an illustration, the method is applied to an SN2 Menshutkin reaction in water, NH3+CH3Cl→NH3CH3++Cl-, for which free energy profiles are obtained at the Hartree-Fock, MP2, B3LYP, and BHHLYP levels by integrating the free energy gradient. Non-mean-field effects are evaluated to be <0.5 kcal/mol using a Gaussian fluctuation model for the environment, which suggests that those effects are rather small for the present reaction in water.

  1. A General Stochastic Maximum Principle for SDEs of Mean-field Type

    SciTech Connect

    Buckdahn, Rainer; Djehiche, Boualem; Li Juan

    2011-10-15

    We study the optimal control for stochastic differential equations (SDEs) of mean-field type, in which the coefficients depend on the state of the solution process as well as of its expected value. Moreover, the cost functional is also of mean-field type. This makes the control problem time inconsistent in the sense that the Bellman optimality principle does not hold. For a general action space a Peng's-type stochastic maximum principle (Peng, S.: SIAM J. Control Optim. 2(4), 966-979, 1990) is derived, specifying the necessary conditions for optimality. This maximum principle differs from the classical one in the sense that here the first order adjoint equation turns out to be a linear mean-field backward SDE, while the second order adjoint equation remains the same as in Peng's stochastic maximum principle.

  2. Simplified method for including spatial correlations in mean-field approximations

    NASA Astrophysics Data System (ADS)

    Markham, Deborah C.; Simpson, Matthew J.; Baker, Ruth E.

    2013-06-01

    Biological systems involving proliferation, migration, and death are observed across all scales. For example, they govern cellular processes such as wound healing, as well as the population dynamics of groups of organisms. In this paper, we provide a simplified method for correcting mean-field approximations of volume-excluding birth-death-movement processes on a regular lattice. An initially uniform distribution of agents on the lattice may give rise to spatial heterogeneity, depending on the relative rates of proliferation, migration, and death. Many frameworks chosen to model these systems neglect spatial correlations, which can lead to inaccurate predictions of their behavior. For example, the logistic model is frequently chosen, which is the mean-field approximation in this case. This mean-field description can be corrected by including a system of ordinary differential equations for pairwise correlations between lattice site occupancies at various lattice distances. In this work we discuss difficulties with this method and provide a simplification in the form of a partial differential equation description for the evolution of pairwise spatial correlations over time. We test our simplified model against the more complex corrected mean-field model, finding excellent agreement. We show how our model successfully predicts system behavior in regions where the mean-field approximation shows large discrepancies. Additionally, we investigate regions of parameter space where migration is reduced relative to proliferation, which has not been examined in detail before and find our method is successful at correcting the deviations observed in the mean-field model in these parameter regimes.

  3. Mean-field dynamics of a non-Hermitian Bose-Hubbard dimer.

    PubMed

    Graefe, E M; Korsch, H J; Niederle, A E

    2008-10-10

    We investigate an N-particle Bose-Hubbard dimer with an additional effective decay term in one of the sites. A mean-field approximation for this non-Hermitian many-particle system is derived, based on a coherent state approximation. The resulting nonlinear, non-Hermitian two-level dynamics, in particular, the fixed point structures showing characteristic modifications of the self-trapping transition, are analyzed. The mean-field dynamics is found to be in reasonable agreement with the full many-particle evolution.

  4. Non-perturbative corrections to mean-field critical behavior: the spherical model on a spider-web graph

    NASA Astrophysics Data System (ADS)

    Balram, Ajit C.; Dhar, Deepak

    2012-03-01

    We consider the spherical model on a spider-web graph. This graph is effectively infinite dimensional, similar to the Bethe lattice, but has loops. We show that these lead to non-trivial corrections to the simple mean-field behavior. We first determine all normal modes of the coupled springs problem on this graph, using its large symmetry group. In the thermodynamic limit, the spectrum is a set of δ-functions, and all the modes are localized. The fractional number of modes with frequency less than ω varies as exp ( - C/ω) for ω tending to zero, where C is a constant. For an unbiased random walk on the vertices of this graph, this implies that the probability of return to the origin at time t varies as exp ( - C‧t1/3), for large t, where C‧ is a constant. For the spherical model, we show that while the critical exponents take the values expected from the mean-field theory, the free energy per site at temperature T, near and above the critical temperature Tc, also has an essential singularity of the type exp [ - K(T - Tc)-1/2].

  5. Evidence against a mean field description of short-range spin glasses revealed through thermal boundary conditions

    NASA Astrophysics Data System (ADS)

    Machta, Jonathan; Wang, Wenlong; Katzgraber, Helmut

    2015-03-01

    A theoretical description of the low-temperature phase of short-range spin glasses has remained elusive for decades. It is not known if there is a single pair of pure states as predicted by the droplet model, or infinitely many pure states, as predicted by mean field theory. Here we study the three-dimensional Edwards-Anderson Ising spin glass in thermal boundary conditions using population annealing Monte Carlo. In thermal boundary conditions all eight combinations of periodic vs antiperiodic boundary conditions in the three spatial directions appear in the ensemble with their respective Boltzmann weights, thus minimizing finite-size corrections due to domain walls. From the relative weighting of the eight boundary conditions for each disorder instance a sample stiffness is defined, and its typical value is shown to grow with system size according to a stiffness exponent. An extrapolation to the large-system-size limit is consistent with a single pair of pure states in every volume but incompatible with the mean field, replica symmetry breaking picture. Supported in part by NSF DMR-1151387 and DMR-1208046.

  6. Mott transitions in a three-component Falicov-Kimball model: A slave boson mean-field study

    NASA Astrophysics Data System (ADS)

    Le, Duc-Anh; Tran, Minh-Tien

    2015-05-01

    Metal-insulator transitions in a three-component Falicov-Kimball model are investigated within the Kotliar-Ruckenstein slave boson mean-field approach. The model describes a mixture of two interacting fermion atom species loaded into an optical lattice at ultralow temperature. One species is two-component atoms, which can hop in the optical lattice, and the other is single-component atoms, which are localized. Different correlation-driven metal-insulator transitions are observed depending on the atom filling conditions and local interactions. These metal-insulator transitions are classified by the band renormalization factors and the double occupancies of the atom species. The filling conditions and the critical value of the local interactions for these metal-insulator transitions are also analytically established. The obtained results not only are in good agreement with the dynamical mean-field theory for the three-component Falicov-Kimball model but also clarify the nature and properties of the metal-insulator transitions in a simple physics picture.

  7. Multidimensionally constrained relativistic mean-field study of triple-humped barriers in actinides

    NASA Astrophysics Data System (ADS)

    Zhao, Jie; Lu, Bing-Nan; Vretenar, Dario; Zhao, En-Guang; Zhou, Shan-Gui

    2015-01-01

    Background: Potential energy surfaces (PES's) of actinide nuclei are characterized by a two-humped barrier structure. At large deformations beyond the second barrier, the occurrence of a third barrier was predicted by macroscopic-microscopic model calculations in the 1970s, but contradictory results were later reported by a number of studies that used different methods. Purpose: Triple-humped barriers in actinide nuclei are investigated in the framework of covariant density functional theory (CDFT). Methods: Calculations are performed using the multidimensionally constrained relativistic mean field (MDC-RMF) model, with the nonlinear point-coupling functional PC-PK1 and the density-dependent meson exchange functional DD-ME2 in the particle-hole channel. Pairing correlations are treated in the BCS approximation with a separable pairing force of finite range. Results: Two-dimensional PES's of 226,228,230,232Th and 232,235,236,238U are mapped and the third minima on these surfaces are located. Then one-dimensional potential energy curves along the fission path are analyzed in detail and the energies of the second barrier, the third minimum, and the third barrier are determined. The functional DD-ME2 predicts the occurrence of a third barrier in all Th nuclei and 238U . The third minima in 230 ,232Th are very shallow, whereas those in 226 ,228Th and 238U are quite prominent. With the functional PC-PK1 a third barrier is found only in 226 ,228 ,230Th . Single-nucleon levels around the Fermi surface are analyzed in 226Th, and it is found that the formation of the third minimum is mainly due to the Z =90 proton energy gap at β20≈1.5 and β30≈0.7 . Conclusions: The possible occurrence of a third barrier on the PES's of actinide nuclei depends on the effective interaction used in multidimensional CDFT calculations. More pronounced minima are predicted by the DD-ME2 functional, as compared to the functional PC-PK1. The depth of the third well in Th isotopes decreases

  8. a Mean-Field Version of the Ssb Model for X-Chromosome Inactivation

    NASA Astrophysics Data System (ADS)

    Gaeta, Giuseppe

    Nicodemi and Prisco recently proposed a model for X-chromosome inactivation in mammals, explaining this phenomenon in terms of a spontaneous symmetry-breaking mechanism [{\\it Phys. Rev. Lett.} 99 (2007), 108104]. Here we provide a mean-field version of their model.

  9. Gluon condensate in a pion superfluid beyond the mean-field approximation

    SciTech Connect

    Jiang Yin; Zhuang Pengfei

    2011-03-15

    We study gluon condensate in a pion superfluid by calculating the equation of state of the system in the Nambu-Jona-Lasinio model. While in mean-field approximation the growing pion condensate leads to an increasing gluon condensate, meson fluctuations reduce the gluon condensate, and the broken scalar symmetry can be smoothly restored at finite isospin density.

  10. Mean-field analysis of quantum phase transitions in a periodic optical superlattice

    SciTech Connect

    Dhar, Arya; Singh, Manpreet; Pai, Ramesh V.; Das, B. P.

    2011-09-15

    We analyze the various phases exhibited by a system of ultracold bosons in a periodic optical superlattice using the mean-field decoupling approximation. We investigate for a wide range of commensurate and incommensurate densities. We find the gapless superfluid phase, the gapped Mott insulator phase, and gapped insulator phases with distinct density wave orders.

  11. Mean-field models for heterogeneous networks of two-dimensional integrate and fire neurons.

    PubMed

    Nicola, Wilten; Campbell, Sue Ann

    2013-01-01

    We analytically derive mean-field models for all-to-all coupled networks of heterogeneous, adapting, two-dimensional integrate and fire neurons. The class of models we consider includes the Izhikevich, adaptive exponential and quartic integrate and fire models. The heterogeneity in the parameters leads to different moment closure assumptions that can be made in the derivation of the mean-field model from the population density equation for the large network. Three different moment closure assumptions lead to three different mean-field systems. These systems can be used for distinct purposes such as bifurcation analysis of the large networks, prediction of steady state firing rate distributions, parameter estimation for actual neurons and faster exploration of the parameter space. We use the mean-field systems to analyze adaptation induced bursting under realistic sources of heterogeneity in multiple parameters. Our analysis demonstrates that the presence of heterogeneity causes the Hopf bifurcation associated with the emergence of bursting to change from sub-critical to super-critical. This is confirmed with numerical simulations of the full network for biologically reasonable parameter values. This change decreases the plausibility of adaptation being the cause of bursting in hippocampal area CA3, an area with a sizable population of heavily coupled, strongly adapting neurons.

  12. Going Beyond a Mean-field Model for the Learning Cortex: Second-Order Statistics

    PubMed Central

    Steyn-Ross, Moira L.; Steyn-Ross, D. A.; Sleigh, J. W.

    2008-01-01

    Mean-field models of the cortex have been used successfully to interpret the origin of features on the electroencephalogram under situations such as sleep, anesthesia, and seizures. In a mean-field scheme, dynamic changes in synaptic weights can be considered through fluctuation-based Hebbian learning rules. However, because such implementations deal with population-averaged properties, they are not well suited to memory and learning applications where individual synaptic weights can be important. We demonstrate that, through an extended system of equations, the mean-field models can be developed further to look at higher-order statistics, in particular, the distribution of synaptic weights within a cortical column. This allows us to make some general conclusions on memory through a mean-field scheme. Specifically, we expect large changes in the standard deviation of the distribution of synaptic weights when fluctuation in the mean soma potentials are large, such as during the transitions between the “up” and “down” states of slow-wave sleep. Moreover, a cortex that has low structure in its neuronal connections is most likely to decrease its standard deviation in the weights of excitatory to excitatory synapses, relative to the square of the mean, whereas a cortex with strongly patterned connections is most likely to increase this measure. This suggests that fluctuations are used to condense the coding of strong (presumably useful) memories into fewer, but dynamic, neuron connections, while at the same time removing weaker (less useful) memories. PMID:19669541

  13. Magnetohydrodynamic Simulation-driven Kinematic Mean Field Model of the Solar Cycle

    NASA Astrophysics Data System (ADS)

    Simard, Corinne; Charbonneau, Paul; Bouchat, Amélie

    2013-05-01

    We construct a series of kinematic axisymmetric mean-field dynamo models operating in the αΩ, α2Ω and α2 regimes, all using the full α-tensor extracted from a global magnetohydrodynamical simulation of solar convection producing large-scale magnetic fields undergoing solar-like cyclic polarity reversals. We also include an internal differential rotation profile produced in a purely hydrodynamical parent simulation of solar convection, and a simple meridional flow profile described by a single cell per meridional quadrant. An α2Ω mean-field model, presumably closest to the mode of dynamo action characterizing the MHD simulation, produces a spatiotemporal evolution of magnetic fields that share some striking similarities with the zonally-averaged toroidal component extracted from the simulation. Comparison with α2 and αΩ mean-field models operating in the same parameter regimes indicates that much of the complexity observed in the spatiotemporal evolution of the large-scale magnetic field in the simulation can be traced to the turbulent electromotive force. Oscillating α2 solutions are readily produced, and show some similarities with the observed solar cycle, including a deep-seated toroidal component concentrated at low latitudes and migrating equatorward in the course of the solar cycle. Various numerical experiments performed using the mean-field models reveal that turbulent pumping plays an important role in setting the global characteristics of the magnetic cycles.

  14. MAGNETOHYDRODYNAMIC SIMULATION-DRIVEN KINEMATIC MEAN FIELD MODEL OF THE SOLAR CYCLE

    SciTech Connect

    Simard, Corinne; Charbonneau, Paul; Bouchat, Amelie E-mail: paulchar@astro.umontreal.ca

    2013-05-01

    We construct a series of kinematic axisymmetric mean-field dynamo models operating in the {alpha}{Omega}, {alpha}{sup 2}{Omega} and {alpha}{sup 2} regimes, all using the full {alpha}-tensor extracted from a global magnetohydrodynamical simulation of solar convection producing large-scale magnetic fields undergoing solar-like cyclic polarity reversals. We also include an internal differential rotation profile produced in a purely hydrodynamical parent simulation of solar convection, and a simple meridional flow profile described by a single cell per meridional quadrant. An {alpha}{sup 2}{Omega} mean-field model, presumably closest to the mode of dynamo action characterizing the MHD simulation, produces a spatiotemporal evolution of magnetic fields that share some striking similarities with the zonally-averaged toroidal component extracted from the simulation. Comparison with {alpha}{sup 2} and {alpha}{Omega} mean-field models operating in the same parameter regimes indicates that much of the complexity observed in the spatiotemporal evolution of the large-scale magnetic field in the simulation can be traced to the turbulent electromotive force. Oscillating {alpha}{sup 2} solutions are readily produced, and show some similarities with the observed solar cycle, including a deep-seated toroidal component concentrated at low latitudes and migrating equatorward in the course of the solar cycle. Various numerical experiments performed using the mean-field models reveal that turbulent pumping plays an important role in setting the global characteristics of the magnetic cycles.

  15. Excitation dynamics in a lattice Bose gas within the time-dependent Gutzwiller mean-field approach

    SciTech Connect

    Krutitsky, Konstantin V.; Navez, Patrick

    2011-09-15

    The dynamics of the collective excitations of a lattice Bose gas at zero temperature is systematically investigated using the time-dependent Gutzwiller mean-field approach. The excitation modes are determined within the framework of the linear-response theory as solutions of the generalized Bogoliubov-de Gennes equations valid in the superfluid and Mott-insulator phases at arbitrary values of parameters. The expression for the sound velocity derived in this approach coincides with the hydrodynamic relation. We calculate the transition amplitudes for the excitations in the Bragg scattering process and show that the higher excitation modes make significant contributions. We simulate the dynamics of the density perturbations and show that their propagation velocity in the limit of week perturbation is satisfactorily described by the predictions of the linear-response analysis.

  16. Electronic and magnetic properties of TbNi4Si: Ab initio calculations, mean field approximation and Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Bensadiq, A.; Zaari, H.; Benyoussef, A.; El Kenz, A.

    2016-09-01

    Using the density functional theory, the electronic structure; density of states, band structure and exchange couplings of Tb Ni4 Si compound have been investigated. Magnetic and magnetocaloric properties of this material have been studied using Monte Carlo Simulation (MCS) and Mean Field Approximation (MFA) within a three dimensional Ising model. We calculated the isothermal magnetic entropy change, adiabatic temperature change and relative cooling power (RCP) for different external magnetic field and temperature. The highest obtained isothermal magnetic entropy change is of -14.52 J kg-1 K-1 for a magnetic field of H=4 T. The adiabatic temperature reaches a maximum value equal to 3.7 K and the RCP maximum value is found to be 125.12 J kg-1 for a field magnetic of 14 T.

  17. Fractional Spin Fluctuations as a Precursor of Quantum Spin Liquids: Majorana Dynamical Mean-Field Study for the Kitaev Model.

    PubMed

    Yoshitake, Junki; Nasu, Joji; Motome, Yukitoshi

    2016-10-07

    Experimental identification of quantum spin liquids remains a challenge, as the pristine nature is to be seen in asymptotically low temperatures. We here theoretically show that the precursor of quantum spin liquids appears in the spin dynamics in the paramagnetic state over a wide temperature range. Using the cluster dynamical mean-field theory and the continuous-time quantum Monte Carlo method, which are newly developed in the Majorana fermion representation, we calculate the dynamical spin structure factor, relaxation rate in nuclear magnetic resonance, and magnetic susceptibility for the honeycomb Kitaev model whose ground state is a canonical example of the quantum spin liquid. We find that dynamical spin correlations show peculiar temperature and frequency dependence even below the temperature where static correlations saturate. The results provide the experimentally accessible symptoms of the fluctuating fractionalized spins evincing the quantum spin liquids.

  18. Fractional Spin Fluctuations as a Precursor of Quantum Spin Liquids: Majorana Dynamical Mean-Field Study for the Kitaev Model

    NASA Astrophysics Data System (ADS)

    Yoshitake, Junki; Nasu, Joji; Motome, Yukitoshi

    2016-10-01

    Experimental identification of quantum spin liquids remains a challenge, as the pristine nature is to be seen in asymptotically low temperatures. We here theoretically show that the precursor of quantum spin liquids appears in the spin dynamics in the paramagnetic state over a wide temperature range. Using the cluster dynamical mean-field theory and the continuous-time quantum Monte Carlo method, which are newly developed in the Majorana fermion representation, we calculate the dynamical spin structure factor, relaxation rate in nuclear magnetic resonance, and magnetic susceptibility for the honeycomb Kitaev model whose ground state is a canonical example of the quantum spin liquid. We find that dynamical spin correlations show peculiar temperature and frequency dependence even below the temperature where static correlations saturate. The results provide the experimentally accessible symptoms of the fluctuating fractionalized spins evincing the quantum spin liquids.

  19. Beyond-mean-field study of the hyperon impurity effect in hypernuclei with shape coexistence

    NASA Astrophysics Data System (ADS)

    Wu, X. Y.; Mei, H.; Yao, J. M.; Zhou, Xian-Rong

    2017-03-01

    Background: The hyperon impurity effect in nuclei has been extensively studied in different mean-field models. Recently, there is a controversy about whether the Λ hyperon is more tightly bound in the normal deformed (ND) states than that in the superdeformed (SD) states. Purpose: This article is aimed to provide a beyond-mean-field study of the low-lying states of hypernuclei with shape coexistence and to shed some light on the controversy. Method: The models of relativistic mean field and beyond based on a relativistic point-coupling energy functional are adopted to study the low-lying states of both Ar37Lambda; and 36Ar. The wave functions of low-lying states are constructed as a superposition of a set of relativistic mean-field states with different values of quadrupole deformation parameter. The projections onto both particle number and angular momentum are considered. Results: The Λ binding energies in both ND and SD states of Ar37Lambda; are studied in the case of the Λ hyperon occupying the s ,p , or d state in the spherical limit, respectively. For comparison, four sets of nucleon-hyperon point-coupling interactions are used, respectively. Moreover, the spectra of low-lying states in 36Ar and Ar Lambda;s37 are calculated based on the same nuclear energy density functional. The results indicate that the SD states exist in Ar37Lambda; for all four effective interactions. Furthermore, the Λs reduces the quadrupole collectivity of ND states to a greater extent than that of SD states. For Ar37Lambda;, the beyond-mean field decreases the Λs binding energy of the SD state by 0.17 MeV, but it almost has no effect on that of the ND state. Conclusions: In Ar Lambda;s37 , the Λp and Λd binding energies of the SD states are always larger than those of the ND states. For Λs, the conclusion depends on the effective nucleon-hyperon interaction. Moreover, the beyond-mean-field model

  20. Mean-Field Dynamics and Fisher Information in Matter Wave Interferometry

    NASA Astrophysics Data System (ADS)

    Haine, Simon A.

    2016-06-01

    There has been considerable recent interest in the mean-field dynamics of various atom-interferometry schemes designed for precision sensing. In the field of quantum metrology, the standard tools for evaluating metrological sensitivity are the classical and quantum Fisher information. In this Letter, we show how these tools can be adapted to evaluate the sensitivity when the behavior is dominated by mean-field dynamics. As an example, we compare the behavior of four recent theoretical proposals for gyroscopes based on matter-wave interference in toroidally trapped geometries. We show that while the quantum Fisher information increases at different rates for the various schemes considered, in all cases it is consistent with the well-known Sagnac phase shift after the matter waves have traversed a closed path. However, we argue that the relevant metric for quantifying interferometric sensitivity is the classical Fisher information, which can vary considerably between the schemes.

  1. A mean-field monomer-dimer model with attractive interaction: Exact solution and rigorous results

    SciTech Connect

    Alberici, D. Contucci, P. Mingione, E.

    2014-06-15

    A mean-field monomer-dimer model which includes an attractive interaction among both monomers and dimers is introduced and its exact solution rigorously derived. The Heilmann-Lieb method for the pure hard-core interacting case is used to compute upper and lower bounds for the pressure. The bounds are shown to coincide in the thermodynamic limit for a suitable choice of the monomer density m. The computation of the monomer density is achieved by solving a consistency equation in the phase space (h, J), where h tunes the monomer potential and J the attractive potential. The critical point and exponents are computed and show that the model is in the mean-field ferromagnetic universality class.

  2. Exact solution of the mean-field plus separable pairing model reexamined

    NASA Astrophysics Data System (ADS)

    Pan, Feng; Zhou, Dan; Dai, Lianrong; Draayer, J. P.

    2017-03-01

    Exact solution of the nuclear mean-field plus separable pairing model is reexamined. New auxiliary constraints for solving the Bethe ansatz equations of the model are proposed. By using these auxiliary constraints, the Bethe ansatz form of eigenvectors of the mean-field plus separable pairing Hamiltonian with nondegenerate single-particle energies and nondegenerate separable pairing strengths purposed previously is verified. Since the solutions of the model with one- and two-orbit cases are known, verification of the solutions for these two special cases is made. To demonstrate structure and features of the solution, the model with three orbits in the d s shell is taken as a nontrivial example, of which two-pair results and the ground state of the three-pair case are provided explicitly. Since the number of equations involved increases with the number of orbits and pairs, to solve these equations for a large number of orbits and pairs seems still difficult.

  3. Oscillating epidemics in a dynamic network model: stochastic and mean-field analysis.

    PubMed

    Szabó-Solticzky, András; Berthouze, Luc; Kiss, Istvan Z; Simon, Péter L

    2016-04-01

    An adaptive network model using SIS epidemic propagation with link-type-dependent link activation and deletion is considered. Bifurcation analysis of the pairwise ODE approximation and the network-based stochastic simulation is carried out, showing that three typical behaviours may occur; namely, oscillations can be observed besides disease-free or endemic steady states. The oscillatory behaviour in the stochastic simulations is studied using Fourier analysis, as well as through analysing the exact master equations of the stochastic model. By going beyond simply comparing simulation results to mean-field models, our approach yields deeper insights into the observed phenomena and help better understand and map out the limitations of mean-field models.

  4. Mean-field regime of trapped dipolar Bose-Einstein condensates in one and two dimensions

    SciTech Connect

    Cai Yongyong; Rosenkranz, Matthias; Lei Zhen; Bao Weizhu

    2010-10-15

    We derive rigorous one- and two-dimensional mean-field equations for cigar- and pancake-shaped dipolar Bose-Einstein condensates with arbitrary polarization angle. We show how the dipolar interaction modifies the contact interaction of the strongly confined atoms. In addition, our equations introduce a nonlocal potential, which is anisotropic for pancake-shaped condensates. We propose to observe this anisotropy via measurement of the condensate aspect ratio. We also derive analytically approximate density profiles from our equations. Both the numerical solutions of our reduced mean-field equations and the analytical density profiles agree well with numerical solutions of the full Gross-Pitaevskii equation while being more efficient to compute.

  5. Nonuniversal behavior for aperiodic interactions within a mean-field approximation.

    PubMed

    Faria, Maicon S; Branco, N S; Tragtenberg, M H R

    2008-04-01

    We study the spin-1/2 Ising model on a Bethe lattice in the mean-field limit, with the interaction constants following one of two deterministic aperiodic sequences, the Fibonacci or period-doubling one. New algorithms of sequence generation were implemented, which were fundamental in obtaining long sequences and, therefore, precise results. We calculate the exact critical temperature for both sequences, as well as the critical exponents beta, gamma, and delta . For the Fibonacci sequence, the exponents are classical, while for the period-doubling one they depend on the ratio between the two exchange constants. The usual relations between critical exponents are satisfied, within error bars, for the period-doubling sequence. Therefore, we show that mean-field-like procedures may lead to nonclassical critical exponents.

  6. The Limits of Mean-Field Heterozygosity Estimates under Spatial Extension in Simulated Plant Populations

    PubMed Central

    Kitchen, James L.; Allaby, Robin G.

    2012-01-01

    Computational models of evolutionary processes are increasingly required to incorporate multiple and diverse sources of data. A popular feature to include in population genetics models is spatial extension, which reflects more accurately natural populations than does a mean field approach. However, such models necessarily violate the mean field assumptions of classical population genetics, as do natural populations in the real world. Recently, it has been questioned whether classical approaches are truly applicable to the real world. Individual based models (IBM) are a powerful and versatile approach to achieve integration in models. In this study an IBM was used to examine how populations of plants deviate from classical expectations under spatial extension. Populations of plants that used three different mating strategies were placed in a range of arena sizes giving crowded to sparse occupation densities. Using a measure of population density, the pollen communication distance (Pcd), the deviation exhibited by outbreeding populations differed from classical mean field expectations by less than 5% when Pcd was less than 1, and over this threshold value the deviation significantly increased. Populations with an intermediate mating strategy did not have such a threshold and deviated directly with increasing isolation between individuals. Populations with a selfing strategy were influenced more by the mating strategy than by increased isolation. In all cases pollen dispersal was more influential than seed dispersal. The IBM model showed that mean field calculations can be reasonably applied to natural outbreeding plant populations that occur at a density in which individuals are less than the average pollen dispersal distance from their neighbors. PMID:22952655

  7. Phase transition in a mean-field model for sympatric speciation

    NASA Astrophysics Data System (ADS)

    Schwämmle, V.; Luz-Burgoa, K.; Sá Martins, J. S.; de Oliveira, S. Moss

    2006-09-01

    We introduce an analytical model for population dynamics with intra-specific competition, mutation and assortative mating as basic ingredients. The set of equations that describes the time evolution of population size in a mean-field approximation may be decoupled. We find a phase transition leading to sympatric speciation as a parameter that quantifies competition strength is varied. This transition, previously found in a computational model, occurs to be of first order.

  8. Minimization method for relativistic electrons in a mean-field approximation of quantum electrodynamics

    SciTech Connect

    Hainzl, Christian; Lewin, Mathieu; Sere, Eric; Solovej, Jan Philip

    2007-11-15

    We study a mean-field relativistic model which is able to describe both the behavior of finitely many spin-1/2 particles such as electrons and of the Dirac sea which is self-consistently polarized in the presence of the real particles. The model is derived from the QED Hamiltonian in Coulomb gauge neglecting the photon field. All our results are nonperturbative and mathematically rigorous.

  9. Universal mean-field phase diagram for biaxial nematics obtained from a minimax principle.

    PubMed

    Bisi, Fulvio; Virga, Epifanio G; Gartland, Eugene C; De Matteis, Giovanni; Sonnet, André M; Durand, Georges E

    2006-05-01

    We study a class of quadratic Hamiltonians which describe both fully attractive and partly repulsive molecular interactions, characteristic of biaxial liquid crystal molecules. To treat the partly repulsive interactions we establish a minimax principle for the associated mean-field free energy. We show that the phase diagram described by Sonnet [Phys. Rev. E 67, 061701 (2003)] is universal. Our predictions are in good agreement with the recent observations on both V-shaped and tetrapodal molecules.

  10. A Stochastic Maximum Principle for a Stochastic Differential Game of a Mean-Field Type

    SciTech Connect

    Hosking, John Joseph Absalom

    2012-12-15

    We construct a stochastic maximum principle (SMP) which provides necessary conditions for the existence of Nash equilibria in a certain form of N-agent stochastic differential game (SDG) of a mean-field type. The information structure considered for the SDG is of a possible asymmetric and partial type. To prove our SMP we take an approach based on spike-variations and adjoint representation techniques, analogous to that of S. Peng (SIAM J. Control Optim. 28(4):966-979, 1990) in the optimal stochastic control context. In our proof we apply adjoint representation procedures at three points. The first-order adjoint processes are defined as solutions to certain mean-field backward stochastic differential equations, and second-order adjoint processes of a first type are defined as solutions to certain backward stochastic differential equations. Second-order adjoint processes of a second type are defined as solutions of certain backward stochastic equations of a type that we introduce in this paper, and which we term conditional mean-field backward stochastic differential equations. From the resulting representations, we show that the terms relating to these second-order adjoint processes of the second type are of an order such that they do not appear in our final SMP equations. A comparable situation exists in an article by R. Buckdahn, B. Djehiche, and J. Li (Appl. Math. Optim. 64(2):197-216, 2011) that constructs a SMP for a mean-field type optimal stochastic control problem; however, the approach we take of using these second-order adjoint processes of a second type to deal with the type of terms that we refer to as the second form of quadratic-type terms represents an alternative to a development, to our setting, of the approach used in their article for their analogous type of term.

  11. Application of mean-field model of polymer melt intercalation in organo-silicates for nanocomposites.

    PubMed

    Meneghetti, Paulo; Qutubuddin, Syed

    2005-08-15

    The mean-field, lattice-based model of polymer melt intercalation in organically-modified layered silicates (OLS) originally developed by Vaia and Giannelis was applied for different polymers such as poly(methyl methacrylate) (PMMA), polypropylene (PP), and poly(ethylene oxide) (PEO). The nature of each polymer controls significantly the intercalation of the system. The internal energy change caused by the interaction of polymer, surfactant and clay is the strongest factor in determining the equilibrium structure of the nanocomposite system.

  12. Mean Field Analysis of Large-Scale Interacting Populations of Stochastic Conductance-Based Spiking Neurons Using the Klimontovich Method

    NASA Astrophysics Data System (ADS)

    Gandolfo, Daniel; Rodriguez, Roger; Tuckwell, Henry C.

    2017-01-01

    We investigate the dynamics of large-scale interacting neural populations, composed of conductance based, spiking model neurons with modifiable synaptic connection strengths, which are possibly also subjected to external noisy currents. The network dynamics is controlled by a set of neural population probability distributions (PPD) which are constructed along the same lines as in the Klimontovich approach to the kinetic theory of plasmas. An exact non-closed, nonlinear, system of integro-partial differential equations is derived for the PPDs. As is customary, a closing procedure leads to a mean field limit. The equations we have obtained are of the same type as those which have been recently derived using rigorous techniques of probability theory. The numerical solutions of these so called McKean-Vlasov-Fokker-Planck equations, which are only valid in the limit of infinite size networks, actually shows that the statistical measures as obtained from PPDs are in good agreement with those obtained through direct integration of the stochastic dynamical system for large but finite size networks. Although numerical solutions have been obtained for networks of Fitzhugh-Nagumo model neurons, which are often used to approximate Hodgkin-Huxley model neurons, the theory can be readily applied to networks of general conductance-based model neurons of arbitrary dimension.

  13. Mean Field Analysis of Large-Scale Interacting Populations of Stochastic Conductance-Based Spiking Neurons Using the Klimontovich Method

    NASA Astrophysics Data System (ADS)

    Gandolfo, Daniel; Rodriguez, Roger; Tuckwell, Henry C.

    2017-03-01

    We investigate the dynamics of large-scale interacting neural populations, composed of conductance based, spiking model neurons with modifiable synaptic connection strengths, which are possibly also subjected to external noisy currents. The network dynamics is controlled by a set of neural population probability distributions (PPD) which are constructed along the same lines as in the Klimontovich approach to the kinetic theory of plasmas. An exact non-closed, nonlinear, system of integro-partial differential equations is derived for the PPDs. As is customary, a closing procedure leads to a mean field limit. The equations we have obtained are of the same type as those which have been recently derived using rigorous techniques of probability theory. The numerical solutions of these so called McKean-Vlasov-Fokker-Planck equations, which are only valid in the limit of infinite size networks, actually shows that the statistical measures as obtained from PPDs are in good agreement with those obtained through direct integration of the stochastic dynamical system for large but finite size networks. Although numerical solutions have been obtained for networks of Fitzhugh-Nagumo model neurons, which are often used to approximate Hodgkin-Huxley model neurons, the theory can be readily applied to networks of general conductance-based model neurons of arbitrary dimension.

  14. Mean Field Limit of Interacting Filaments and Vector Valued Non-linear PDEs

    NASA Astrophysics Data System (ADS)

    Bessaih, Hakima; Coghi, Michele; Flandoli, Franco

    2017-01-01

    Families of N interacting curves are considered, with long range, mean field type, interaction. They generalize models based on classical interacting point particles to models based on curves. In this new set-up, a mean field result is proven, as N→ ∞. The limit PDE is vector valued and, in the limit, each curve interacts with a mean field solution of the PDE. This target is reached by a careful formulation of curves and weak solutions of the PDE which makes use of 1-currents and their topologies. The main results are based on the analysis of a nonlinear Lagrangian-type flow equation. Most of the results are deterministic; as a by-product, when the initial conditions are given by families of independent random curves, we prove a propagation of chaos result. The results are local in time for general interaction kernel, global in time under some additional restriction. Our main motivation is the approximation of 3D-inviscid flow dynamics by the interacting dynamics of a large number of vortex filaments, as observed in certain turbulent fluids; in this respect, the present paper is restricted to smoothed interaction kernels, instead of the true Biot-Savart kernel.

  15. TURBULENT CONVECTION IN STELLAR INTERIORS. III. MEAN-FIELD ANALYSIS AND STRATIFICATION EFFECTS

    SciTech Connect

    Viallet, Maxime; Meakin, Casey; Mocak, Miroslav; Arnett, David

    2013-05-20

    We present three-dimensional implicit large eddy simulations of the turbulent convection in the envelope of a 5 M{sub Sun} red giant star and in the oxygen-burning shell of a 23 M{sub Sun} supernova progenitor. The numerical models are analyzed in the framework of one-dimensional Reynolds-Averaged Navier-Stokes equations. The effects of pressure fluctuations are more important in the red giant model, owing to larger stratification of the convective zone. We show how this impacts different terms in the mean-field equations. We clarify the driving sources of kinetic energy, and show that the rate of turbulent dissipation is comparable to the convective luminosity. Although our flows have low Mach numbers and are nearly adiabatic, our analysis is general and can be applied to photospheric convection as well. The robustness of our analysis of turbulent convection is supported by the insensitivity of the mean-field balances to linear mesh resolution. We find robust results for the turbulent convection zone and the stable layers in the oxygen-burning shell model, and robust results everywhere in the red giant model, but the mean fields are not well converged in the narrow boundary regions (which contain steep gradients) in the oxygen-burning shell model. This last result illustrates the importance of unresolved physics at the convective boundary, which governs the mixing there.

  16. A self-consistent mean-field model for polyelectrolyte gels.

    PubMed

    Rud, Oleg; Richter, Tobias; Borisov, Oleg; Holm, Christian; Košovan, Peter

    2017-03-01

    We present a novel approach to modeling polyelectrolyte gels, exploiting the analogy between star-branched polymers and polymer networks as a computationally inexpensive yet reliable alternative to full-scale simulations. In the numerical mean-field model of a star-like polymer we modify the boundary conditions to represent an infinite network. We validate the predictions of our new model against a coarse-grained simulation model. We also validate it against a phenomenological analytical model which has been previously shown to agree with simulations in a limited range of parameters. The mean-field model explicitly considers local density gradients and agrees with the simulation results in a broad range of parameters, beyond that of the analytical model. Finally, we use the mean-field model for predictions of the swelling behaviour of weak polyelectrolyte gels under different pH conditions. We demonstrate that the local density gradients are important and that the ionization of the weak polyelectrolyte gel is significantly suppressed. Under the studied conditions the effective pKA is about one unit higher than that of the free monomer. This shift in the effective pKA stems from the different pH values inside and outside the gel.

  17. Mean Field Limit of Interacting Filaments and Vector Valued Non-linear PDEs

    NASA Astrophysics Data System (ADS)

    Bessaih, Hakima; Coghi, Michele; Flandoli, Franco

    2017-03-01

    Families of N interacting curves are considered, with long range, mean field type, interaction. They generalize models based on classical interacting point particles to models based on curves. In this new set-up, a mean field result is proven, as N→ ∞. The limit PDE is vector valued and, in the limit, each curve interacts with a mean field solution of the PDE. This target is reached by a careful formulation of curves and weak solutions of the PDE which makes use of 1-currents and their topologies. The main results are based on the analysis of a nonlinear Lagrangian-type flow equation. Most of the results are deterministic; as a by-product, when the initial conditions are given by families of independent random curves, we prove a propagation of chaos result. The results are local in time for general interaction kernel, global in time under some additional restriction. Our main motivation is the approximation of 3D-inviscid flow dynamics by the interacting dynamics of a large number of vortex filaments, as observed in certain turbulent fluids; in this respect, the present paper is restricted to smoothed interaction kernels, instead of the true Biot-Savart kernel.

  18. Beyond-mean-field study of elastic and inelastic electron scattering off nuclei

    NASA Astrophysics Data System (ADS)

    Yao, J. M.; Bender, M.; Heenen, P.-H.

    2015-02-01

    Background: Electron scattering provides a powerful tool to determine charge distributions and transition densities of nuclei. This tool will soon be available for short-lived neutron-rich nuclei. Purpose: Beyond-mean-field methods have been successfully applied to the study of excitation spectra of nuclei in the whole nuclear chart. These methods permit determination of energies and transition probabilities starting from an effective in-medium nucleon-nucleon interaction but without other phenomenological ingredients. Such a method has recently been extended to calculate the charge density of nuclei deformed at the mean-field level of approximation [J. M. Yao et al., Phys. Rev. C 86, 014310 (2012), 10.1103/PhysRevC.86.014310]. The aim of this work is to further extend the method to the determination of transition densities between low-lying excited states. Method: The starting point of our method is a set of Hartree-Fock-Bogoliubov wave functions generated with a constraint on the axial quadrupole moment and using a Skyrme energy density functional. Correlations beyond the mean field are introduced by projecting mean-field wave functions on angular momentum and particle number and by mixing the symmetry-restored wave functions. Results: We give in this paper detailed formulas derived for the calculation of densities and form factors. These formulas are rather easy to obtain when both initial and final states are 0+ states but are far from being trivial when one of the states has a finite J value. Illustrative applications to 24Mg and to the even-mass Ni-6858 have permitted an analysis of the main features of our method, in particular the effect of deformation on densities and form factors. An illustrative calculation of both elastic and inelastic scattering form factors is presented. Conclusions: We present a very general framework to calculate densities of and transition densities between low-lying states that can be applied to any nucleus. Achieving better

  19. Construction of traveling clusters in the Hamiltonian mean-field model by nonequilibrium statistical mechanics and Bernstein-Greene-Kruskal waves.

    PubMed

    Yamaguchi, Yoshiyuki Y

    2011-07-01

    Traveling clusters are ubiquitously observed in the Hamiltonian mean-field model for a wide class of initial states, which are not predicted to become spatially inhomogeneous states by nonequilibrium statistical mechanics and by nonlinear Landau damping. To predict such a cluster state from a given initial state, we combine nonequilibrium statistical mechanics and a construction method of Bernstein-Greene-Kruskal (BGK) waves with the aid of phenomenological assumptions. The phenomenological theory is partially successful, and the theoretically constructed cluster states are in good agreement with N-body simulations. Robustness of the theory is also discussed for unsuccessful initial states.

  20. Self-Consistent Chaotic Transport in a High-Dimensional Mean-Field Hamiltonian Map Model

    DOE PAGES

    Martínez-del-Río, D.; del-Castillo-Negrete, D.; Olvera, A.; ...

    2015-10-30

    We studied the self-consistent chaotic transport in a Hamiltonian mean-field model. This model provides a simplified description of transport in marginally stable systems including vorticity mixing in strong shear flows and electron dynamics in plasmas. Self-consistency is incorporated through a mean-field that couples all the degrees-of-freedom. The model is formulated as a large set of N coupled standard-like area-preserving twist maps in which the amplitude and phase of the perturbation, rather than being constant like in the standard map, are dynamical variables. Of particular interest is the study of the impact of periodic orbits on the chaotic transport and coherentmore » structures. Furthermore, numerical simulations show that self-consistency leads to the formation of a coherent macro-particle trapped around the elliptic fixed point of the system that appears together with an asymptotic periodic behavior of the mean field. To model this asymptotic state, we introduced a non-autonomous map that allows a detailed study of the onset of global transport. A turnstile-type transport mechanism that allows transport across instantaneous KAM invariant circles in non-autonomous systems is discussed. As a first step to understand transport, we study a special type of orbits referred to as sequential periodic orbits. Using symmetry properties we show that, through replication, high-dimensional sequential periodic orbits can be generated starting from low-dimensional periodic orbits. We show that sequential periodic orbits in the self-consistent map can be continued from trivial (uncoupled) periodic orbits of standard-like maps using numerical and asymptotic methods. Normal forms are used to describe these orbits and to find the values of the map parameters that guarantee their existence. Numerical simulations are used to verify the prediction from the asymptotic methods.« less

  1. Self-Consistent Chaotic Transport in a High-Dimensional Mean-Field Hamiltonian Map Model

    SciTech Connect

    Martínez-del-Río, D.; del-Castillo-Negrete, D.; Olvera, A.; Calleja, R.

    2015-10-30

    We studied the self-consistent chaotic transport in a Hamiltonian mean-field model. This model provides a simplified description of transport in marginally stable systems including vorticity mixing in strong shear flows and electron dynamics in plasmas. Self-consistency is incorporated through a mean-field that couples all the degrees-of-freedom. The model is formulated as a large set of N coupled standard-like area-preserving twist maps in which the amplitude and phase of the perturbation, rather than being constant like in the standard map, are dynamical variables. Of particular interest is the study of the impact of periodic orbits on the chaotic transport and coherent structures. Furthermore, numerical simulations show that self-consistency leads to the formation of a coherent macro-particle trapped around the elliptic fixed point of the system that appears together with an asymptotic periodic behavior of the mean field. To model this asymptotic state, we introduced a non-autonomous map that allows a detailed study of the onset of global transport. A turnstile-type transport mechanism that allows transport across instantaneous KAM invariant circles in non-autonomous systems is discussed. As a first step to understand transport, we study a special type of orbits referred to as sequential periodic orbits. Using symmetry properties we show that, through replication, high-dimensional sequential periodic orbits can be generated starting from low-dimensional periodic orbits. We show that sequential periodic orbits in the self-consistent map can be continued from trivial (uncoupled) periodic orbits of standard-like maps using numerical and asymptotic methods. Normal forms are used to describe these orbits and to find the values of the map parameters that guarantee their existence. Numerical simulations are used to verify the prediction from the asymptotic methods.

  2. Mean-Field Approach with M3Y-TYPE Interaction

    NASA Astrophysics Data System (ADS)

    Nakada, H.

    2004-10-01

    M3Y-type interactions are developed and applied to mean-field calculations. By comparing results of an M3Y-type interaction on the uniform nuclear matter with those of the Skyrme and the Gogny interactions, we find a remarkable difference in the spin-isospin properties, to which the one-pion-exchange potential gives significant contribution. Correlating to variation of the shell structure, these spin-isospin properties play a certain role in the new magic numbers near drip lines such as N = 16 and N = 32.

  3. Mean Field Limit and Propagation of Chaos for a Pedestrian Flow Model

    NASA Astrophysics Data System (ADS)

    Chen, Li; Göttlich, Simone; Yin, Qitao

    2017-01-01

    In this paper a rigorous proof of the mean field limit for a pedestrian flow model in two dimensions is given by using a probabilistic method. The model under investigation is an interacting particle system coupled to the eikonal equation on the microscopic scale. For stochastic initial data, it is proved that the solution of the N-particle pedestrian flow system with properly chosen cut-off converges in the probability sense to the solution of the characteristics of the non-cut-off Vlasov equation. Furthermore, the result on propagation of chaos is also deduced in terms of bounded Lipschitz distance.

  4. Mean-field approaches for Ξ- hypernuclei and current experimental data

    NASA Astrophysics Data System (ADS)

    Sun, T. T.; Hiyama, E.; Sagawa, H.; Schulze, H.-J.; Meng, J.

    2016-12-01

    Motivated by the recently observed hypernucleus (Kiso event) C15Ξ (14N+Ξ- ), we identify the state of this system theoretically within the framework of the relativistic-mean-field and Skyrme-Hartree-Fock models. The Ξ N interactions are constructed to reproduce the two possibly observed Ξ- removal energies, 4.38 ±0.25 MeV or 1.11 ±0.25 MeV. The present result is preferable to be 14N(g .s .) +Ξ-(1 p ) , corresponding to the latter value.

  5. Study of shape transitions in N{approx}90 isotopes with beyond mean field calculations

    SciTech Connect

    Rodriguez, Tomas R.; Egido, J. L.

    2009-01-28

    We study the spherical to prolate-deformed shape transition in {sup 144-158}Sm and {sup 146-160}Gd isotopes with modern calculations beyond the mean field with the Gogny D1S force. We compare the results with the shape-phase transition predicted by the collective Hamiltonian model and with the experimental data. Our calculations do not support the existence of a first order phase transition in these isotopic chains in the viewpoint of the Bohr Hamiltonian neither the interpretation of the nuclei N = 90 as critical points.

  6. Mean field mutation dynamics and the continuous Luria-Delbrück distribution.

    PubMed

    Kashdan, Eugene; Pareschi, Lorenzo

    2012-12-01

    The Luria-Delbrück mutation model has a long history and has been mathematically formulated in several different ways. Here we tackle the problem in the case of a continuous distribution using some mathematical tools from nonlinear statistical physics. Starting from the classical formulations we derive the corresponding differential models and show that under a suitable mean field scaling they correspond to generalized Fokker-Planck equations for the mutants distribution whose solutions are given by the corresponding Luria-Delbrück distribution. Numerical results confirming the theoretical analysis are also presented.

  7. A mean-field limit for a class of queueing networks

    NASA Astrophysics Data System (ADS)

    Baccelli, F.; Karpelevich, F. I.; Kelbert, M. Ya.; Puhalskii, A. A.; Rybko, A. N.; Suhov, Yu. M.

    1992-02-01

    A model of centralized symmetric message-switched networks is considered, where the messages having a common address must be served in the central node in the order which corresponds to their epochs of arrival to the network. The limit N → ∞ is discussed, where N is the branching number of the network graph. This procedure is inspired by an analogy with statistical mechanics (the mean-field approximation). The corresponding limit theorems are established and the limiting probability distribution for the network response time is obtained. Properties of this distribution are discussed in terms of an associated boundary problem.

  8. Slave-boson mean field versus quantum Monte Carlo results for the Hubbard model

    NASA Astrophysics Data System (ADS)

    Lilly, L.; Muramatsu, A.; Hanke, W.

    1990-09-01

    The one-band Hubbard model is considered in the slave-boson formulation first introduced by Kotliar and Ruckenstein. It is shown that a mean-field approximation, where broken-symmetry states appropriate for a bipartite lattice are allowed, leads to a quantitative agreement with quantum Monte Carlo results for local observables over a wide range of interactions (0<=1). Thus, our saddle-point solutions constitute an excellent starting point for a systematic treatment of fluctuations.

  9. Tidal deformability of neutron and hyperon stars within relativistic mean field equations of state

    NASA Astrophysics Data System (ADS)

    Kumar, Bharat; Biswal, S. K.; Patra, S. K.

    2017-01-01

    We systematically study the tidal deformability for neutron and hyperon stars using relativistic mean field equations of state (EOSs). The tidal effect plays an important role during the early part of the evolution of compact binaries. Although, the deformability associated with the EOSs has a small correction, it gives a clean gravitational wave signature in binary inspiral. These are characterized by various Love numbers kl(l =2 ,3 ,4 ), that depend on the EOS of a star for a given mass and radius. The tidal effect of star could be efficiently measured through an advanced LIGO detector from the final stages of an inspiraling binary neutron star merger.

  10. The cumulative overlap distribution function in spin glasses: mean field vs. three dimensions

    NASA Astrophysics Data System (ADS)

    Yllanes, David; Billoire, Alain; Maiorano, Andrea; Marinari, Enzo; Martin-Mayor, Victor

    2015-03-01

    We use a sample-dependent analysis, based on medians and quantiles, to analyze the behavior of the overlap probability distribution in spin glasses. Using analytical and numerical mean-field results for the Sherrington-Kirkpatrick model, as well as data from toy models, we show that this approach is an effective tool to distinguish the low-temperature behavior of replica symmmetry breaking systems from that expected in the droplet picture. An application of the method to the three-dimensional Edwards-Anderson models shows agreement with the replica symmetry breaking predictions. Supported by ERC Grant No. 247328 and from MINECO (Spain), Contract No. FIS2012-35719-C02.

  11. Hot and dense hadronic matter in an effective mean-field approach

    SciTech Connect

    Lavagno, A.

    2010-04-15

    We investigate the equation of state of hadronic matter at finite values of baryon density and temperature reachable in high-energy heavy-ion collisions. The analysis is performed by requiring the Gibbs conditions on the global conservation of baryon number, electric charge fraction, and zero net strangeness. We consider an effective relativistic mean-field model with the inclusion of DELTA isobars, hyperons, and the lightest pseudoscalar and vector meson degrees of freedom. In this context, we study the influence of the DELTA-isobar degrees of freedom in the hadronic equation of state and, in connection, the behavior of different particle-antiparticle ratios and strangeness production.

  12. Mean-field approximation for a limit order driven market model

    NASA Astrophysics Data System (ADS)

    Slanina, František

    2001-11-01

    A mean-field variant of the model of limit order driven market introduced recently by Maslov is formulated and solved. The agents do not have any strategies and the memory of the system is kept within the order book. We show that the evolution of the order book is governed by a matrix multiplicative process. The resulting stationary distribution of step-to-step price changes is calculated. It exhibits a power-law tail with exponent 2. We obtain also the price autocorrelation function, which agrees qualitatively with the experimentally observed negative autocorrelation for short times.

  13. Critical temperature for {alpha}-particle condensation within a momentum-projected mean-field approach

    SciTech Connect

    Sogo, T.; Roepke, G.; Lazauskas, R.

    2009-05-15

    {alpha}-particle (quartet) condensation in homogeneous spin-isospin symmetric nuclear matter is investigated. The usual Thouless criterion for the critical temperature is extended to the quartet case. The in-medium four-body problem is strongly simplified by the use of a momentum-projected mean-field ansatz for the quartet. The self-consistent single-particle wave functions are shown and discussed for various values of the density at the critical temperature. Excellent agreement of the critical temperature with a numerical solution of the Faddeev-Yakubovsky equation is obtained.

  14. Cluster Monte Carlo and numerical mean field analysis for the water liquid-liquid phase transition

    NASA Astrophysics Data System (ADS)

    Mazza, Marco G.; Stokely, Kevin; Strekalova, Elena G.; Stanley, H. Eugene; Franzese, Giancarlo

    2009-04-01

    Using Wolff's cluster Monte Carlo simulations and numerical minimization within a mean field approach, we study the low temperature phase diagram of water, adopting a cell model that reproduces the known properties of water in its fluid phases. Both methods allow us to study the thermodynamic behavior of water at temperatures, where other numerical approaches - both Monte Carlo and molecular dynamics - are seriously hampered by the large increase of the correlation times. The cluster algorithm also allows us to emphasize that the liquid-liquid phase transition corresponds to the percolation transition of tetrahedrally ordered water molecules.

  15. Hadronic matter at finite temperature and density within an effective relativistic mean-field model

    NASA Astrophysics Data System (ADS)

    Lavagno, A.

    2012-10-01

    We study hot and dense hadronic matter by means of an effective relativistic mean-field model with the inclusion of the full octet of baryons, the Δ-isobar degrees of freedom and the lightest pseudoscalar and vector mesons. These last particles are considered by taking into account an effective chemical potential and an effective mass depending on the self-consistent interaction between baryons. The analysis is performed by requiring the Gibbs conditions on the global conservation of baryon number, electric charge fraction and zero net strangeness.

  16. Finite-size critical scaling in Ising spin glasses in the mean-field regime

    NASA Astrophysics Data System (ADS)

    Aspelmeier, T.; Katzgraber, Helmut G.; Larson, Derek; Moore, M. A.; Wittmann, Matthew; Yeo, Joonhyun

    2016-03-01

    We study in Ising spin glasses the finite-size effects near the spin-glass transition in zero field and at the de Almeida-Thouless transition in a field by Monte Carlo methods and by analytical approximations. In zero field, the finite-size scaling function associated with the spin-glass susceptibility of the Sherrington-Kirkpatrick mean-field spin-glass model is of the same form as that of one-dimensional spin-glass models with power-law long-range interactions in the regime where they can be a proxy for the Edwards-Anderson short-range spin-glass model above the upper critical dimension. We also calculate a simple analytical approximation for the spin-glass susceptibility crossover function. The behavior of the spin-glass susceptibility near the de Almeida-Thouless transition line has also been studied, but here we have only been able to obtain analytically its behavior in the asymptotic limit above and below the transition. We have also simulated the one-dimensional system in a field in the non-mean-field regime to illustrate that when the Imry-Ma droplet length scale exceeds the system size one can then be erroneously lead to conclude that there is a de Almeida-Thouless transition even though it is absent.

  17. Mean-field approximation for the Sznajd model in complex networks

    NASA Astrophysics Data System (ADS)

    Araújo, Maycon S.; Vannucchi, Fabio S.; Timpanaro, André M.; Prado, Carmen P. C.

    2015-02-01

    This paper studies the Sznajd model for opinion formation in a population connected through a general network. A master equation describing the time evolution of opinions is presented and solved in a mean-field approximation. Although quite simple, this approximation allows us to capture the most important features regarding the steady states of the model. When spontaneous opinion changes are included, a discontinuous transition from consensus to polarization can be found as the rate of spontaneous change is increased. In this case we show that a hybrid mean-field approach including interactions between second nearest neighbors is necessary to estimate correctly the critical point of the transition. The analytical prediction of the critical point is also compared with numerical simulations in a wide variety of networks, in particular Barabási-Albert networks, finding reasonable agreement despite the strong approximations involved. The same hybrid approach that made it possible to deal with second-order neighbors could just as well be adapted to treat other problems such as epidemic spreading or predator-prey systems.

  18. Free energy of mean-field spin-glass models: Evolution operator and perturbation expansion

    NASA Astrophysics Data System (ADS)

    Janiš, V.; Kauch, A.; Klíč, A.

    2013-02-01

    The full mean-field solution of spin glass models with a continuous order-parameter function is not directly available and approximate schemes must be used to assess its properties. One of the authors recently proposed a representation of the free energy generating this solution via an evolution operator parametrized by attainable values of overlap of magnetizations between different states. Here, we introduce a perturbation expansion for the evolution operator that we use to derive all thermodynamic characteristics via the standard methods of statistical mechanics. We obtain a generic scheme for an approximate calculation of physical quantities of different mean-field spin-glass models at all temperatures. The small expansion parameter is a difference between the continuous order-parameter function and the corresponding order parameter from the solution with one level of replica-symmetry breaking. The first correction beyond the approximation with one level of replica-symmetry breaking is explicitly evaluated in the glassy phase of the Sherrington-Kirkpatrick model.

  19. Modeling and computation of mean field equilibria in producers' game with emission permits trading

    NASA Astrophysics Data System (ADS)

    Zhang, Shuhua; Wang, Xinyu; Shanain, Aleksandr

    2016-08-01

    In this paper, we present a mean field game to model the production behaviors of a very large number of producers, whose carbon emissions are regulated by government. Especially, an emission permits trading scheme is considered in our model, in which each enterprise can trade its own permits flexibly. By means of the mean field equilibrium, we obtain a Hamilton-Jacobi-Bellman (HJB) equation coupled with a Kolmogorov equation, which are satisfied by the adjoint state and the density of producers (agents), respectively. Then, we propose a so-called fitted finite volume method to solve the HJB equation and the Kolmogorov equation. The efficiency and the usefulness of this method are illustrated by the numerical experiments. Under different conditions, the equilibrium states as well as the effects of the emission permits price are examined, which demonstrates that the emission permits trading scheme influences the producers' behaviors, that is, more populations would like to choose a lower rather than a higher emission level when the emission permits are expensive.

  20. Combining Few-Body Cluster Structures with Many-Body Mean-Field Methods

    NASA Astrophysics Data System (ADS)

    Hove, D.; Garrido, E.; Jensen, A. S.; Sarriguren, P.; Fynbo, H. O. U.; Fedorov, D. V.; Zinner, N. T.

    2017-03-01

    Nuclear cluster physics implicitly assumes a distinction between groups of degrees-of-freedom, that is the (frozen) intrinsic and (explicitly treated) relative cluster motion. We formulate a realistic and practical method to describe the coupled motion of these two sets of degrees-of-freedom. We derive a coupled set of differential equations for the system using the phenomenologically adjusted effective in-medium Skyrme type of nucleon-nucleon interaction. We select a two-nucleon plus core system where the mean-field approximation corresponding to the Skyrme interaction is used for the core. A hyperspherical adiabatic expansion of the Faddeev equations is used for the relative cluster motion. We shall specifically compare both the structure and the decay mechanism found from the traditional three-body calculations with the result using the new boundary condition provided by the full microscopic structure at small distance. The extended Hilbert space guaranties an improved wave function compared to both mean-field and three-body solutions. We shall investigate the structures and decay mechanism of ^{22}C (^{20}C+n+n). In conclusion, we have developed a method combining nuclear few- and many-body techniques without losing the descriptive power of each approximation at medium-to-large distances and small distances respectively. The coupled set of equations are solved self-consistently, and both structure and dynamic evolution are studied.

  1. Mean-field calculations of chain packing and conformational statistics in lipid bilayers: comparison with experiments and molecular dynamics studies.

    PubMed Central

    Fattal, D R; Ben-Shaul, A

    1994-01-01

    A molecular, mean-field theory of chain packing statistics in aggregates of amphiphilic molecules is applied to calculate the conformational properties of the lipid chains comprising the hydrophobic cores of dipalmitoyl-phosphatidylcholine (DPPC), dioleoyl-phosphatidylcholine (DOPC), and palmitoyl-oleoyl-phosphatidylcholine (POPC) bilayers in their fluid state. The central quantity in this theory, the probability distribution of chain conformations, is evaluated by minimizing the free energy of the bilayer assuming only that the segment density within the hydrophobic region is uniform (liquidlike). Using this distribution we calculate chain conformational properties such as bond orientational order parameters and spatial distributions of the various chain segments. The lipid chains, both the saturated palmitoyl (-(CH2)14-CH3) and the unsaturated oleoyl (-(CH2)7-CH = CH-(CH2)7-CH3) chains are modeled using rotational isomeric state schemes. All possible chain conformations are enumerated and their statistical weights are determined by the self-consistency equations expressing the condition of uniform density. The hydrophobic core of the DPPC bilayer is treated as composed of single (palmitoyl) chain amphiphiles, i.e., the interactions between chains originating from the same lipid headgroup are assumed to be the same as those between chains belonging to different molecules. Similarly, the DOPC system is treated as a bilayer of oleoyl chains. The POPC bilayer is modeled as an equimolar mixture of palmitoyl and oleoyl chains. Bond orientational order parameter profiles, and segment spatial distributions are calculated for the three systems above, for several values of the bilayer thickness (or, equivalently, average area/headgroup) chosen, where possible, so as to allow for comparisons with available experimental data and/or molecular dynamics simulations. In most cases the agreement between the mean-field calculations, which are relatively easy to perform, and the

  2. The application of the Gibbs-Bogoliubov-Feynman inequality in mean field calculations for Markov random fields.

    PubMed

    Zhang, J

    1996-01-01

    The Gibbs-Bogoliubov-Feynman (GBF) inequality of statistical mechanics is adopted, with an information-theoretic interpretation, as a general optimization framework for deriving and examining various mean field approximations for Markov random fields (MRF's). The efficacy of this approach is demonstrated through the compound Gauss-Markov (CGM) model, comparisons between different mean field approximations, and experimental results in image restoration.

  3. Structure of fluctuations near mean-field critical points and spinodals and its implication for physical processes.

    PubMed

    Klein, W; Gould, Harvey; Gulbahce, Natali; Rundle, J B; Tiampo, K

    2007-03-01

    We analyze the structure of fluctuations near critical points and spinodals in mean-field and near-mean-field systems. Unlike systems that are non-mean-field, for which a fluctuation can be represented by a single cluster in a properly chosen percolation model, a fluctuation in mean-field and near-mean-field systems consists of a large number of clusters, which we term fundamental clusters. The structure of the latter and the way that they form fluctuations has important physical consequences for phenomena as diverse as nucleation in supercooled liquids, spinodal decomposition and continuous ordering, and the statistical distribution of earthquakes. The effects due to the fundamental clusters implies that they are physical objects and not only mathematical constructs.

  4. Statistical thermodynamics of lattice models in zeolites: Implications of local versus global mean field interactions

    NASA Astrophysics Data System (ADS)

    Ayappa, K. G.

    1999-09-01

    The statistical thermodynamics of adsorption in caged zeolites is developed by treating the zeolite as an ensemble of M identical cages or subsystems. Within each cage adsorption is assumed to occur onto a lattice of n identical sites. Expressions for the average occupancy per cage are obtained by minimizing the Helmholtz free energy in the canonical ensemble subject to the constraints of constant M and constant number of adsorbates N. Adsorbate-adsorbate interactions in the Brag-Williams or mean field approximation are treated in two ways. The local mean field approximation (LMFA) is based on the local cage occupancy and the global mean field approximation (GMFA) is based on the average coverage of the ensemble. The GMFA is shown to be equivalent in formulation to treating the zeolite as a collection of interacting single site subsystems. In contrast, the treatment in the LMFA retains the description of the zeolite as an ensemble of identical cages, whose thermodynamic properties are conveniently derived in the grand canonical ensemble. For a z coordinated lattice within the zeolite cage, with ɛaa as the adsorbate-adsorbate interaction parameter, the comparisons for different values of ɛaa*=ɛaaz/2kT, and number of sites per cage, n, illustrate that for -1<ɛaa*<0 and n⩾10, the adsorption isotherms and heats of adsorption predicted with the two approaches are similar. In general, the deviation between the LMFA and GMFA is greater for smaller n and less sensitive to n for ɛaa*>0. We compare the isotherms predicted with the LMFA with previous GMFA predictions [K. G. Ayappa, C. R. Kamala, and T. A. Abinandanan, J. Chem. Phys. 110, 8714 (1999)] (which incorporates both the site volume reduction and a coverage-dependent ɛaa) for xenon and methane in zeolite NaA. In all cases the predicted isotherms are very similar, with the exception of a small steplike feature present in the LMFA for xenon at higher coverages.

  5. Broken Replica Symmetry Bounds in the Mean Field Spin Glass Model

    NASA Astrophysics Data System (ADS)

    Guerra, Francesco

    By using a simple interpolation argument, in previous work we have proven the existence of the thermodynamic limit, for mean field disordered models, including the Sherrington-Kirkpatrick model, and the Derrida p-spin model. Here we extend this argument in order to compare the limiting free energy with the expression given by the Parisi Ansatz, and including full spontaneous replica symmetry breaking. Our main result is that the quenched average of the free energy is bounded from below by the value given in the Parisi Ansatz, uniformly in the size of the system. Moreover, the difference between the two expressions is given in the form of a sum rule, extending our previous work on the comparison between the true free energy and its replica symmetric Sherrington-Kirkpatrick approximation. We give also a variational bound for the infinite volume limit of the ground state energy per site.

  6. Bayesian Learning in Sparse Graphical Factor Models via Variational Mean-Field Annealing.

    PubMed

    Yoshida, Ryo; West, Mike

    2010-05-01

    We describe a class of sparse latent factor models, called graphical factor models (GFMs), and relevant sparse learning algorithms for posterior mode estimation. Linear, Gaussian GFMs have sparse, orthogonal factor loadings matrices, that, in addition to sparsity of the implied covariance matrices, also induce conditional independence structures via zeros in the implied precision matrices. We describe the models and their use for robust estimation of sparse latent factor structure and data/signal reconstruction. We develop computational algorithms for model exploration and posterior mode search, addressing the hard combinatorial optimization involved in the search over a huge space of potential sparse configurations. A mean-field variational technique coupled with annealing is developed to successively generate "artificial" posterior distributions that, at the limiting temperature in the annealing schedule, define required posterior modes in the GFM parameter space. Several detailed empirical studies and comparisons to related approaches are discussed, including analyses of handwritten digit image and cancer gene expression data.

  7. An exact solution of spherical mean-field plus a special separable pairing model

    NASA Astrophysics Data System (ADS)

    Dai, Lianrong; Pan, Feng; Draayer, J. P.

    2017-01-01

    An exact solution of nuclear spherical mean-field plus a special orbit-dependent separable pairing model is studied, of which the separable pairing interaction parameters are obtained by a linear fitting in terms of the single-particle energies considered. The advantage of the model is that, similar to the standard pairing case, it can be solved easily by using the extended Heine-Stieltjes polynomial approach. With the analysis of the model in the ds- and pf-shell subspace, it is shown that this special separable pairing model indeed provides similar pair structures of the model with the original separable pairing interaction, and is obviously better than the standard pairing model in many aspects.

  8. Probing relevant ingredients in mean-field approaches for the athermal rheology of yield stress materials.

    PubMed

    Puosi, Francesco; Olivier, Julien; Martens, Kirsten

    2015-10-14

    Although the notion of mechanical noise is expected to play a key role in the non-linear rheology of athermally sheared amorphous systems, its characterization has so far remained elusive. Here, we show using molecular dynamic simulations that in spite of the presence of strong spatio-temporal correlations in the system, the local stress exhibits normal diffusion under the effect of the mechanical noise in the finite driving regime. The diffusion constant appears to be proportional to the mean plastic activity. Our data suggests that the corresponding proportionality constant is density independent, and can be directly related to the specific form of the rheological flow curve, pointing the way to a generic way of modeling mechanical noise in mean-field equations.

  9. Nonlocal energy density functionals for pairing and beyond-mean-field calculations

    NASA Astrophysics Data System (ADS)

    Bennaceur, K.; Idini, A.; Dobaczewski, J.; Dobaczewski, P.; Kortelainen, M.; Raimondi, F.

    2017-04-01

    We propose to use two-body regularized finite-range pseudopotential to generate nuclear energy density functional (EDF) in both particle–hole and particle–particle channels, which makes it free from self-interaction and self-pairing, and also free from singularities when used beyond mean field. We derive a sequence of pseudopotentials regularized up to next-to-leading order and next-to-next-to-leading order, which fairly well describe infinite-nuclear-matter properties and finite open-shell paired and/or deformed nuclei. Since pure two-body pseudopotentials cannot generate sufficiently large effective mass, the obtained solutions constitute a preliminary step towards future implementations, which will include, e.g., EDF terms generated by three-body pseudopotentials.

  10. Oscillation quenching in third order phase locked loop coupled by mean field diffusive coupling

    NASA Astrophysics Data System (ADS)

    Chakraborty, S.; Dandapathak, M.; Sarkar, B. C.

    2016-11-01

    We explored analytically the oscillation quenching phenomena (amplitude death and parameter dependent inhomogeneous steady state) in a coupled third order phase locked loop (PLL) both in periodic and chaotic mode. The phase locked loops were coupled through mean field diffusive coupling. The lower and upper limits of the quenched state were identified in the parameter space of the coupled PLL using the Routh-Hurwitz technique. We further observed that the ability of convergence to the quenched state of coupled PLLs depends on the design parameters. For identical systems, both the systems converge to the homogeneous steady state, whereas for non-identical parameter values they converge to an inhomogeneous steady state. It was also observed that for identical systems, the quenched state is wider than the non-identical case. When the system parameters are so chosen that each isolated loop is chaotic in nature, we observe narrowing down of the quenched state. All these phenomena were also demonstrated through numerical simulations.

  11. Oscillation quenching in third order phase locked loop coupled by mean field diffusive coupling.

    PubMed

    Chakraborty, S; Dandapathak, M; Sarkar, B C

    2016-11-01

    We explored analytically the oscillation quenching phenomena (amplitude death and parameter dependent inhomogeneous steady state) in a coupled third order phase locked loop (PLL) both in periodic and chaotic mode. The phase locked loops were coupled through mean field diffusive coupling. The lower and upper limits of the quenched state were identified in the parameter space of the coupled PLL using the Routh-Hurwitz technique. We further observed that the ability of convergence to the quenched state of coupled PLLs depends on the design parameters. For identical systems, both the systems converge to the homogeneous steady state, whereas for non-identical parameter values they converge to an inhomogeneous steady state. It was also observed that for identical systems, the quenched state is wider than the non-identical case. When the system parameters are so chosen that each isolated loop is chaotic in nature, we observe narrowing down of the quenched state. All these phenomena were also demonstrated through numerical simulations.

  12. The Schrödinger Equation in the Mean-Field and Semiclassical Regime

    NASA Astrophysics Data System (ADS)

    Golse, François; Paul, Thierry

    2017-01-01

    In this paper, we establish (1) the classical limit of the Hartree equation leading to the Vlasov equation, (2) the classical limit of the N-body linear Schrödinger equation uniformly in N leading to the N-body Liouville equation of classical mechanics and (3) the simultaneous mean-field and classical limit of the N-body linear Schrödinger equation leading to the Vlasov equation. In all these limits, we assume that the gradient of the interaction potential is Lipschitz continuous. All our results are formulated as estimates involving a quantum analogue of the Monge-Kantorovich distance of exponent 2 adapted to the classical limit, reminiscent of, but different from the one defined in Golse et al. [Commun Math Phys 343:165-205, 2016]. As a by-product, we also provide bounds on the quadratic Monge-Kantorovich distance between the classical densities and the Husimi functions of the quantum density matrices.

  13. Economic dynamics with financial fragility and mean-field interaction: A model

    NASA Astrophysics Data System (ADS)

    Di Guilmi, C.; Gallegati, M.; Landini, S.

    2008-06-01

    Following Aoki’s statistical mechanics methodology [Masanao Aoki, New Approaches to Macroeconomic Modeling, Cambridge University Press, 1996; Masanao Aoki, Modeling Aggregate Behaviour and Fluctuations in Economics, Cambridge University Press, 2002; Masanao Aoki, and Hiroshi Yoshikawa, Reconstructing Macroeconomics, Cambridge University Press, 2006], we provide some insights into the well-known works of [Bruce Greenwald, Joseph Stiglitz, Macroeconomic models with equity and credit rationing, in: R. Hubbard (Ed.), Information, Capital Markets and Investment, Chicago University Press, Chicago, 1990; Bruce Greenwald, Joseph Stiglitz, Financial markets imperfections and business cycles, Quarterly journal of Economics (1993)]. Specifically, we reach analytically a closed form solution of their models overcoming the aggregation problem. The key idea is to represent the economy as an evolving complex system, composed by heterogeneous interacting agents, that can be partitioned into a space of macroscopic states. This meso level of aggregation permits to adopt mean-field interaction modeling and master equation techniques.

  14. Critical wetting of a class of nonequilibrium interfaces: a mean-field picture.

    PubMed

    de Los Santos, Francisco; Romera, Elvira; Al Hammal, Omar; Muñoz, Miguel Angel

    2007-03-01

    A self-consistent mean-field method is used to study critical wetting transitions under nonequilibrium conditions by analyzing Kardar-Parisi-Zhang (KPZ) interfaces in the presence of a bounding substrate. In the case of positive KPZ nonlinearity a single (Gaussian) regime is found. On the contrary, interfaces corresponding to negative nonlinearities lead to three different regimes of critical behavior for the surface order parameter: (i) a trivial Gaussian regime, (ii) a weak-fluctuation regime with a trivially located critical point and nontrivial exponents, and (iii) a highly nontrivial strong-fluctuation regime, for which we provide a full solution by finding the zeros of parabolic-cylinder functions. These analytical results are also verified by solving numerically the self-consistent equation in each case. Analogies with and differences from equilibrium critical wetting as well as nonequilibrium complete wetting are also discussed.

  15. Variational mean-field algorithm for efficient inference in large systems of stochastic differential equations.

    PubMed

    Vrettas, Michail D; Opper, Manfred; Cornford, Dan

    2015-01-01

    This work introduces a Gaussian variational mean-field approximation for inference in dynamical systems which can be modeled by ordinary stochastic differential equations. This new approach allows one to express the variational free energy as a functional of the marginal moments of the approximating Gaussian process. A restriction of the moment equations to piecewise polynomial functions, over time, dramatically reduces the complexity of approximate inference for stochastic differential equation models and makes it comparable to that of discrete time hidden Markov models. The algorithm is demonstrated on state and parameter estimation for nonlinear problems with up to 1000 dimensional state vectors and compares the results empirically with various well-known inference methodologies.

  16. Rhythmic behavior in a two-population mean-field Ising model.

    PubMed

    Collet, Francesca; Formentin, Marco; Tovazzi, Daniele

    2016-10-01

    Many real systems composed of a large number of interacting components, as, for instance, neural networks, may exhibit collective periodic behavior even though single components have no natural tendency to behave periodically. Macroscopic oscillations are indeed one of the most common self-organized behavior observed in living systems. In the present paper we study some dynamical features of a two-population generalization of the mean-field Ising model with the scope of investigating simple mechanisms capable to generate rhythms in large groups of interacting individuals. We show that the system may undergo a transition from a disordered phase, where the magnetization of each population fluctuates closely around zero, to a phase in which they both display a macroscopic regular rhythm. In particular, there exists a region in the parameter space where having two groups of spins with inter- and intrapopulation interactions of different strengths suffices for the emergence of a robust periodic behavior.

  17. Mean-Field Dynamics of Spin-Orbit Coupled Bose-Einstein Condensates

    NASA Astrophysics Data System (ADS)

    Zhang, Yongping; Mao, Li; Zhang, Chuanwei

    2012-01-01

    Spin-orbit coupling (SOC), the interaction between the spin and momentum of a quantum particle, is crucial for many important condensed matter phenomena. The recent experimental realization of SOC in neutral bosonic cold atoms provides a new and ideal platform for investigating spin-orbit coupled quantum many-body physics. In this Letter, we derive a generic Gross-Pitaevskii equation as the starting point for the study of many-body dynamics in spin-orbit coupled Bose-Einstein condensates. We show that different laser setups for realizing the same SOC may lead to different mean-field dynamics. Various ground state phases (stripe, phase separation, etc.) of the condensate are found in different parameter regions. A new oscillation period induced by the SOC, similar to the Zitterbewegung oscillation, is found in the center-of-mass motion of the condensate.

  18. Reproducible mesoscopic superpositions of Bose-Einstein condensates and mean-field chaos

    SciTech Connect

    Gertjerenken, Bettina; Arlinghaus, Stephan; Teichmann, Niklas; Weiss, Christoph

    2010-08-15

    In a parameter regime for which the mean-field (Gross-Pitaevskii) dynamics becomes chaotic, mesoscopic quantum superpositions in phase space can occur in a double-well potential, which is shaken periodically. For experimentally realistic initial states, such as the ground state of some 100 atoms, the emergence of mesoscopic quantum superpositions in phase space is investigated numerically. It is shown to be reproducible, even if the initial conditions change slightly. Although the final state is not a perfect superposition of two distinct phase states, the superposition is reached an order of magnitude faster than in the case of the collapse-and-revival phenomenon. Furthermore, a generator of entanglement is identified.

  19. β-decay of magic nuclei: Beyond mean-field description

    SciTech Connect

    Niu, Yifei; Niu, Zhongming; Colò, Gianluca; Vigezzi, Enrico

    2015-10-15

    Nuclear β-decay plays an important role not only in nuclear physics but also in astrophysics. The widely used self-consistent Random Phase Approximation (RPA) models tend to overestimate the half-lives of magic nuclei. To overcome this problem, we go beyond the mean-field description and include the effects of particle-vibration coupling (PVC) on top of the RPA model. The β-decay half-lives of {sup 34}Si, {sup 68}Ni, {sup 78}Ni, and {sup 132}Sn are studied within this approach in the case of the Skyrme interaction SkM*. It is found that the low-lying Gamow-Teller (GT) strength is shifted downwards with the inclusion of the PVC effect, and as a consequence, the half-lives are reduced due to the increase of the phase space available for β-decay, which leads to a good agreement between theoretical and experimental lifetimes.

  20. K--nucleus relativistic mean field potentials consistent with kaonic atoms

    NASA Astrophysics Data System (ADS)

    Friedman, E.; Gal, A.; Mareš, J.; Cieplý, A.

    1999-08-01

    K- atomic data are used to test several models of the K- nucleus interaction. The t(ρ)ρ optical potential, due to coupled channel models incorporating the Λ(1405) dynamics, fails to reproduce these data. A standard relativistic mean field (RMF) potential, disregarding the Λ(1405) dynamics at low densities, also fails. The only successful model is a hybrid of a theoretically motivated RMF approach in the nuclear interior and a completely phenomenological density dependent potential, which respects the low density theorem in the nuclear surface region. This best-fit K- optical potential is found to be strongly attractive, with a depth of 180+/-20 MeV at the nuclear interior, in agreement with previous phenomenological analyses.

  1. Modeling of coherent ultrafast magneto-optical experiments: Light-induced molecular mean-field model

    SciTech Connect

    Hinschberger, Y.; Hervieux, P.-A.

    2015-12-28

    We present calculations which aim to describe coherent ultrafast magneto-optical effects observed in time-resolved pump-probe experiments. Our approach is based on a nonlinear semi-classical Drude-Voigt model and is used to interpret experiments performed on nickel ferromagnetic thin film. Within this framework, a phenomenological light-induced coherent molecular mean-field depending on the polarizations of the pump and probe pulses is proposed whose microscopic origin is related to a spin-orbit coupling involving the electron spins of the material sample and the electric field of the laser pulses. Theoretical predictions are compared to available experimental data. The model successfully reproduces the observed experimental trends and gives meaningful insight into the understanding of magneto-optical rotation behavior in the ultrafast regime. Theoretical predictions for further experimental studies are also proposed.

  2. Dynamical Mean-Field Equations for a Neural Network with Spike Timing Dependent Plasticity

    NASA Astrophysics Data System (ADS)

    Mayer, Jörg; Ngo, Hong-Viet V.; Schuster, Heinz Georg

    2012-09-01

    We study the discrete dynamics of a fully connected network of threshold elements interacting via dynamically evolving synapses displaying spike timing dependent plasticity. Dynamical mean-field equations, which become exact in the thermodynamical limit, are derived to study the behavior of the system driven with uncorrelated and correlated Gaussian noise input. We use correlated noise to verify that our model gives account to the fact that correlated noise provides stronger drive for synaptic modification. Further we find that stochastic independent input leads to a noise dependent transition to the coherent state where all neurons fire together, most notably there exists an optimal noise level for the enhancement of synaptic potentiation in our model.

  3. Mean-field state population study for iron-based superconductors

    NASA Astrophysics Data System (ADS)

    Wang, Zhigang; Fu, Zhen-Guo; Zheng, Fa-Wei; Zhang, Ping

    2017-02-01

    The occupation number distribution in momentum space are theoretically studied within a two-orbital model, which can be unified describing the low-energy physics of the iron pnictides and iron chalcogenides. The mean-field approximation of Hubbard interaction is employed. By tuning the hopping parameters, the difference between the iron pnictides and iron chalcogenides in their occupation number distribution behavior can be clearly observed. The results show that when the pairing interaction tends to zero, the occupation number n (k) ≈ 0 at Γ point for iron chalcogenides while n (k) ≈ 2 at Γ point for iron pnictides. By increasing the strength of the pairing interaction to a large value, the change of n (k) at Γ point for iron chalcogenides (pnictides) is remarkable (unremarkable). In addition, we find that the effect of the nearest-neighbor coupling between the two layers, contained in the S4 model [Hu and Hao, (2012) [33

  4. Beyond mean-field properties of binary dipolar Bose mixtures at low temperatures

    NASA Astrophysics Data System (ADS)

    Pastukhov, Volodymyr

    2017-02-01

    We rigorously analyze the low-temperature properties of homogeneous three-dimensional two-component Bose mixture with dipole-dipole interaction. For such a system the effective hydrodynamic action that governs the behavior of low-energy excitations is derived. The infrared structure of the exact single-particle Green's functions is obtained in terms of macroscopic parameters, namely the inverse compressibility and the superfluid density matrices. Within the one-loop approximation we calculate some of the most relevant observable quantities and give the beyond mean-field stability condition for the binary dipolar Bose gas in the dilute limit. A brief variational derivation of the coupled equations that describe macroscopic hydrodynamics of the system in the external nonuniform potential at zero temperature is presented.

  5. Mean-field dynamics of spin-orbit coupled Bose-Einstein condensates.

    PubMed

    Zhang, Yongping; Mao, Li; Zhang, Chuanwei

    2012-01-20

    Spin-orbit coupling (SOC), the interaction between the spin and momentum of a quantum particle, is crucial for many important condensed matter phenomena. The recent experimental realization of SOC in neutral bosonic cold atoms provides a new and ideal platform for investigating spin-orbit coupled quantum many-body physics. In this Letter, we derive a generic Gross-Pitaevskii equation as the starting point for the study of many-body dynamics in spin-orbit coupled Bose-Einstein condensates. We show that different laser setups for realizing the same SOC may lead to different mean-field dynamics. Various ground state phases (stripe, phase separation, etc.) of the condensate are found in different parameter regions. A new oscillation period induced by the SOC, similar to the Zitterbewegung oscillation, is found in the center-of-mass motion of the condensate.

  6. Isospin-symmetry-breaking effects in A∼70 nuclei within beyond-mean-field approach

    SciTech Connect

    Petrovici, A.; Andrei, O.

    2015-02-24

    Particular isospin-symmetry-breaking probes including Coulomb energy differences (CED), mirror energy differences (MED), and triplet energy differences (TED) manifest anomalies in the A∼70 isovector triplets of nuclei. The structure of proton-rich nuclei in the A∼70 mass region suggests shape coexistence and competition between pairing correlations in different channels. Recent results concerning the interplay between isospin-mixing and shape-coexistence effects on exotic phenomena in A∼70 nuclei obtained within the beyond-mean-field complex Excited Vampir variational model with symmetry projection before variation using a realistic effective interaction in a relatively large model space are presented. Excited Vampir predictions concerning the Gamow-Teller β decay to the odd-odd N=Z {sup 66}As and {sup 70}Br nuclei correlated with the pair structure analysis in the T=1 and T=0 channel of the involved wave functions are discussed.

  7. Cluster decay in very heavy nuclei in a relativistic mean field model

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Madhubrata; Gangopadhyay, G.

    2008-02-01

    Exotic cluster decay of very heavy nuclei was studied in the microscopic Super-Asymmetric Fission Model. The Relativistic Mean Field model with the force FSU Gold was employed to obtain the densities of the cluster and the daughter nuclei. The microscopic nuclear interaction DDM3Y1, which has an exponential density dependence, and the Coulomb interaction were used in the double folding model to obtain the potential between the cluster and the daughter. Half-life values were calculated in the WKB approximation and the spectroscopic factors were extracted. The latter values are seen to have a simple dependence of the mass of the cluster as has been observed earlier. Predictions were made for some possible decays.

  8. Interacting motile agents: taking a mean-field approach beyond monomers and nearest-neighbor steps.

    PubMed

    Penington, Catherine J; Hughes, Barry D; Landman, Kerry A

    2014-03-01

    We consider a discrete agent-based model on a one-dimensional lattice, where each agent occupies L sites and attempts movements over a distance of d lattice sites. Agents obey a strict simple exclusion rule. A discrete-time master equation is derived using a mean-field approximation and careful probability arguments. In the continuum limit, nonlinear diffusion equations that describe the average agent occupancy are obtained. Averaged discrete simulation data are generated and shown to compare very well with the solution to the derived nonlinear diffusion equations. This framework allows us to approach a lattice-free result using all the advantages of lattice methods. Since different cell types have different shapes and speeds of movement, this work offers insight into population-level behavior of collective cellular motion.

  9. Rhythmic behavior in a two-population mean-field Ising model

    NASA Astrophysics Data System (ADS)

    Collet, Francesca; Formentin, Marco; Tovazzi, Daniele

    2016-10-01

    Many real systems composed of a large number of interacting components, as, for instance, neural networks, may exhibit collective periodic behavior even though single components have no natural tendency to behave periodically. Macroscopic oscillations are indeed one of the most common self-organized behavior observed in living systems. In the present paper we study some dynamical features of a two-population generalization of the mean-field Ising model with the scope of investigating simple mechanisms capable to generate rhythms in large groups of interacting individuals. We show that the system may undergo a transition from a disordered phase, where the magnetization of each population fluctuates closely around zero, to a phase in which they both display a macroscopic regular rhythm. In particular, there exists a region in the parameter space where having two groups of spins with inter- and intrapopulation interactions of different strengths suffices for the emergence of a robust periodic behavior.

  10. Beyond mean-field effects in Bloch Oscillations of cold atoms in an optical cavity

    NASA Astrophysics Data System (ADS)

    Venkatesh Balasubramanian, Prasanna; O'Dell, Duncan

    2012-06-01

    In our earlier publication [1] we proposed using Bloch oscillations of cold atoms inside an Fabry-Perot resonator for sensitive measurements of force. The analysis in [1] was performed using a coherent mean-field description for the atoms and the light. In the current work we extend this description substantially by including the effects of fluctuations in both the atomic and light fields. This analysis is used to set realistic limits on the precision to which the force can be measured. We also make contact with the optomechanical description of the combined atom-cavity system which has proved so successful for describing recent pioneering experiments [2].[4pt] [1] B. Prasanna Venkatesh et al, Phys. Rev. A 80, 063834 (2009).[0pt] [2] S. Gupta et al, Phys. Rev. Lett. 99, 213601 (2007); F.Brennecke et al, Science 322, 235 (2008).

  11. Core-level Photoemission Study for Cuprates with a Dynamical Mean-Field Approach Considering Realistic Crystal Structure

    NASA Astrophysics Data System (ADS)

    Hariki, Atsushi; Uozumi, Takayuki

    2013-03-01

    Recently, remarkable experimental progress reveals some characteristic spectral features in the 2p3/2main line of Cu 2p core-level X-ray photoemission spectra (XPS). The structures show strong material dependence and drastic changes for electron or hole doping. Van Veenendaal et al., pointed out that the main line shape is strongly affected by the so-called nonlocal screening which is accompanied by a formation of a Zhang-Rice singlet (ZRS) in the XPS final state. On the other hand, Taguchi et al., shows these features are reproduced by introducing an phenomenological extended impurity model. We consider that this topic on 2pXPS of cuprates still remain controversial. In this study, we propose another approach based on the dynamical mean field theory(DMFT) considering the realistic crystal structure. Many-particle effects including the ZRS is appropriately embedded in the hybridization function of a single impurity Anderson model through the DMFT self-consistent cycle. Our approach reproduces experimental results and shows that the Cu 2p3/2 main line is closely related with the quasi-particle structure near the Fermi energy.

  12. A multiscale variational approach to the kinetics of viscous classical liquids: The coarse-grained mean field approximation

    SciTech Connect

    Sereda, Yuriy V.; Ortoleva, Peter J.

    2014-04-07

    A closed kinetic equation for the single-particle density of a viscous simple liquid is derived using a variational method for the Liouville equation and a coarse-grained mean-field (CGMF) ansatz. The CGMF ansatz is based on the notion that during the characteristic time of deformation a given particle interacts with many others so that it experiences an average interaction. A trial function for the N-particle probability density is constructed using a multiscale perturbation method and the CGMF ansatz is applied to it. The multiscale perturbation scheme is based on the ratio of the average nearest-neighbor atom distance to the total size of the assembly. A constraint on the initial condition is discovered which guarantees that the kinetic equation is mass-conserving and closed in the single-particle density. The kinetic equation has much of the character of the Vlasov equation except that true viscous, and not Landau, damping is accounted for. The theory captures condensation kinetics and takes much of the character of the Gross-Pitaevskii equation in the weak-gradient short-range force limit.

  13. Effects of anisotropies in turbulent magnetic diffusion in mean-field solar dynamo models

    SciTech Connect

    Pipin, V. V.; Kosovichev, A. G.

    2014-04-10

    We study how anisotropies of turbulent diffusion affect the evolution of large-scale magnetic fields and the dynamo process on the Sun. The effect of anisotropy is calculated in a mean-field magnetohydrodynamics framework assuming that triple correlations provide relaxation to the turbulent electromotive force (so-called the 'minimal τ-approximation'). We examine two types of mean-field dynamo models: the well-known benchmark flux-transport model and a distributed-dynamo model with a subsurface rotational shear layer. For both models, we investigate effects of the double- and triple-cell meridional circulation, recently suggested by helioseismology and numerical simulations. To characterize the anisotropy effects, we introduce a parameter of anisotropy as a ratio of the radial and horizontal intensities of turbulent mixing. It is found that the anisotropy affects the distribution of magnetic fields inside the convection zone. The concentration of the magnetic flux near the bottom and top boundaries of the convection zone is greater when the anisotropy is stronger. It is shown that the critical dynamo number and the dynamo period approach to constant values for large values of the anisotropy parameter. The anisotropy reduces the overlap of toroidal magnetic fields generated in subsequent dynamo cycles, in the time-latitude 'butterfly' diagram. If we assume that sunspots are formed in the vicinity of the subsurface shear layer, then the distributed dynamo model with the anisotropic diffusivity satisfies the observational constraints from helioseismology and is consistent with the value of effective turbulent diffusion estimated from the dynamics of surface magnetic fields.

  14. Weiss mean-field approximation for multicomponent stochastic spatially extended systems.

    PubMed

    Kurushina, Svetlana E; Maximov, Valerii V; Romanovskii, Yurii M

    2014-08-01

    We develop a mean-field approach for multicomponent stochastic spatially extended systems and use it to obtain a multivariate nonlinear self-consistent Fokker-Planck equation defining the probability density of the state of the system, which describes a well-known model of autocatalytic chemical reaction (brusselator) with spatially correlated multiplicative noise, and to study the evolution of probability density and statistical characteristics of the system in the process of spatial pattern formation. We propose the finite-difference method for the numerical solving of a general class of multivariate nonlinear self-consistent time-dependent Fokker-Planck equations. We illustrate the accuracy and reliability of the method by applying it to an exactly solvable nonlinear Fokker-Planck equation (NFPE) for the Shimizu-Yamada model [Prog. Theor. Phys. 47, 350 (1972)] and nonlinear Fokker-Planck equation [Desai and Zwanzig, J. Stat. Phys. 19, 1 (1978)] obtained for a nonlinear stochastic mean-field model introduced by Kometani and Shimizu [J. Stat. Phys. 13, 473 (1975)]. Taking the problems indicated above as an example, the accuracy of the method is compared with the accuracy of Hermite distributed approximating functional method [Zhang et al., Phys. Rev. E 56, 1197 (1997)]. Numerical study of the NFPE solutions for a stochastic brusselator shows that in the region of Turing bifurcation several types of solutions exist if noise intensity increases: unimodal solution, transient bimodality, and an interesting solution which involves multiple "repumping" of probability density through bimodality. Additionally, we study the behavior of the order parameter of the system under consideration and show that the second type of solution arises in the supercritical region if noise intensity values are close to the values appropriate for the transition from bimodal stationary probability density for the order parameter to the unimodal one.

  15. Mean-field analysis of an inductive reasoning game: application to influenza vaccination.

    PubMed

    Breban, Romulus; Vardavas, Raffaele; Blower, Sally

    2007-09-01

    Recently we have introduced an inductive reasoning game of voluntary yearly vaccination to establish whether or not a population of individuals acting in their own self-interest would be able to prevent influenza epidemics. Here, we analyze our model to describe the dynamics of the collective yearly vaccination uptake. We discuss the mean-field equations of our model and first order effects of fluctuations. We explain why our model predicts that severe epidemics are periodically expected even without the introduction of pandemic strains. We find that fluctuations in the collective yearly vaccination uptake induce severe epidemics with an expected periodicity that depends on the number of independent decision makers in the population. The mean-field dynamics also reveal that there are conditions for which the dynamics become robust to the fluctuations. However, the transition between fluctuation-sensitive and fluctuation-robust dynamics occurs for biologically implausible parameters. We also analyze our model when incentive-based vaccination programs are offered. When a family-based incentive is offered, the expected periodicity of severe epidemics is increased. This results from the fact that the number of independent decision makers is reduced, increasing the effect of the fluctuations. However, incentives based on the number of years of prepayment of vaccination may yield fluctuation-robust dynamics where severe epidemics are prevented. In this case, depending on prepayment, the transition between fluctuation-sensitive and fluctuation-robust dynamics may occur for biologically plausible parameters. Our analysis provides a practical method for identifying how many years of free vaccination should be provided in order to successfully ameliorate influenza epidemics.

  16. Mean-field analysis of an inductive reasoning game: Application to influenza vaccination

    NASA Astrophysics Data System (ADS)

    Breban, Romulus; Vardavas, Raffaele; Blower, Sally

    2007-09-01

    Recently we have introduced an inductive reasoning game of voluntary yearly vaccination to establish whether or not a population of individuals acting in their own self-interest would be able to prevent influenza epidemics. Here, we analyze our model to describe the dynamics of the collective yearly vaccination uptake. We discuss the mean-field equations of our model and first order effects of fluctuations. We explain why our model predicts that severe epidemics are periodically expected even without the introduction of pandemic strains. We find that fluctuations in the collective yearly vaccination uptake induce severe epidemics with an expected periodicity that depends on the number of independent decision makers in the population. The mean-field dynamics also reveal that there are conditions for which the dynamics become robust to the fluctuations. However, the transition between fluctuation-sensitive and fluctuation-robust dynamics occurs for biologically implausible parameters. We also analyze our model when incentive-based vaccination programs are offered. When a family-based incentive is offered, the expected periodicity of severe epidemics is increased. This results from the fact that the number of independent decision makers is reduced, increasing the effect of the fluctuations. However, incentives based on the number of years of prepayment of vaccination may yield fluctuation-robust dynamics where severe epidemics are prevented. In this case, depending on prepayment, the transition between fluctuation-sensitive and fluctuation-robust dynamics may occur for biologically plausible parameters. Our analysis provides a practical method for identifying how many years of free vaccination should be provided in order to successfully ameliorate influenza epidemics.

  17. Episodic activity in a heterogeneous excitatory network, from spiking neurons to mean field.

    PubMed

    Vladimirski, Boris B; Tabak, Joël; O'Donovan, Michael J; Rinzel, John

    2008-08-01

    Many developing neural systems exhibit spontaneous activity (O'Donovan, Curr Opin Neurobiol 9:94-104, 1999; Feller, Neuron 22:653-656, 1999) characterized by episodes of discharge (active phases) when many cells are firing, separated by silent phases during which few cells fire. Various models exhibit features of episodic behavior by means of recurrent excitation for supporting an episode and slow activity-dependent depression for terminating one. The basic mechanism has been analyzed using mean-field, firing-rate models. Firing-rate models are typically formulated ad hoc, not derived from a spiking network description, and the effects of substantial heterogeneity amongst the units are not usually considered. Here we develop an excitatory network of spiking neurons (N-cell model) with slow synaptic depression to model episodic rhythmogenesis. This N-cell model displays episodic behavior over a range of heterogeneity in bias currents. Important features of the episodic behavior include orderly recruitment of individual cells during silent phases and existence of a dynamical process whereby a small critical subpopulation of intermediate excitability conveys synaptic drive from active to silent cells. We also derive a general self-consistency equation for synaptic drive that includes cell heterogeneity explicitly. We use this mean-field description to expose the dynamical bistability that underlies episodic behavior in the heterogeneous network. In a systematic numerical study we find that the robustness of the episodic behavior improves with increasing heterogeneity. Furthermore, the heterogeneity of depression variables (imparted by the heterogeneity in cellular firing thresholds) plays an important role in this improvement: it renders the network episodic behavior more robust to variations in excitability than if depression is uniformized. We also investigate the effects of noise vs. heterogeneity on the robustness of episodic behavior, especially important for the

  18. Mean-field thalamocortical modeling of longitudinal EEG acquired during intensive meditation training.

    PubMed

    Saggar, Manish; Zanesco, Anthony P; King, Brandon G; Bridwell, David A; MacLean, Katherine A; Aichele, Stephen R; Jacobs, Tonya L; Wallace, B Alan; Saron, Clifford D; Miikkulainen, Risto

    2015-07-01

    Meditation training has been shown to enhance attention and improve emotion regulation. However, the brain processes associated with such training are poorly understood and a computational modeling framework is lacking. Modeling approaches that can realistically simulate neurophysiological data while conforming to basic anatomical and physiological constraints can provide a unique opportunity to generate concrete and testable hypotheses about the mechanisms supporting complex cognitive tasks such as meditation. Here we applied the mean-field computational modeling approach using the scalp-recorded electroencephalogram (EEG) collected at three assessment points from meditating participants during two separate 3-month-long shamatha meditation retreats. We modeled cortical, corticothalamic, and intrathalamic interactions to generate a simulation of EEG signals recorded across the scalp. We also present two novel extensions to the mean-field approach that allow for: (a) non-parametric analysis of changes in model parameter values across all channels and assessments; and (b) examination of variation in modeled thalamic reticular nucleus (TRN) connectivity over the retreat period. After successfully fitting whole-brain EEG data across three assessment points within each retreat, two model parameters were found to replicably change across both meditation retreats. First, after training, we observed an increased temporal delay between modeled cortical and thalamic cells. This increase provides a putative neural mechanism for a previously observed reduction in individual alpha frequency in these same participants. Second, we found decreased inhibitory connection strength between the TRN and secondary relay nuclei (SRN) of the modeled thalamus after training. This reduction in inhibitory strength was found to be associated with increased dynamical stability of the model. Altogether, this paper presents the first computational approach, taking core aspects of physiology and

  19. A Seamless Grid-Based Interface for Mean-Field QM/MM Coupled with Efficient Solvation Free Energy Calculations.

    PubMed

    Lim, Hyung-Kyu; Lee, Hankyul; Kim, Hyungjun

    2016-10-11

    Among various models that incorporate solvation effects into first-principles-based electronic structure theory such as density functional theory (DFT), the average solvent electrostatic potential/molecular dynamics (ASEP/MD) method is particularly advantageous. This method explicitly includes the nature of complicated solvent structures that is absent in implicit solvation methods. Because the ASEP/MD method treats only solvent molecule dynamics, it requires less computational cost than the conventional quantum mechanics/molecular mechanics (QM/MM) approaches. Herein, we present a real-space rectangular grid-based method to implement the mean-field QM/MM idea of ASEP/MD to plane-wave DFT, which is termed "DFT in classical explicit solvents", or DFT-CES. By employing a three-dimensional real-space grid as a communication medium, we can treat the electrostatic interactions between the DFT solute and the ASEP sampled from MD simulations in a seamless and straightforward manner. Moreover, we couple a fast and efficient free energy calculation method based on the two-phase thermodynamic (2PT) model with our DFT-CES method, which enables direct and simultaneous computation of the solvation free energies as well as the geometric and electronic responses of a solute of interest under the solvation effect. With the aid of DFT-CES/2PT, we investigate the solvation free energies and detailed solvation thermodynamics for 17 types of organic molecules, which show good agreement with the experimental data. We further compare our simulation results with previous theoretical models and assumptions made for the development of implicit solvation models. We anticipate that our proposed method, DFT-CES/2PT, will enable vast utilization of the ASEP/MD method for investigating solvation properties of materials by using periodic DFT calculations in the future.

  20. Biopolymers under large external forces and mean-field RNA virus evolutionary dynamics

    NASA Astrophysics Data System (ADS)

    Ahsan, Syed Amir

    The modeling of the mechanical response of single-molecules of DNA and RNA under large external forces through statistical mechanical methods is central to this thesis with a small portion devoted to modeling the evolutionary dynamics of positive-sense single-stranded RNA viruses. In order to develop and test models of biopolymer mechanics and illuminate the mechanisms underlying biological processes where biopolymers undergo changes in energy on the order of the thermal energy, , entails measuring forces and lengths on the scale of piconewtons (pN) and nanometers (nm), respectively. A capacity achieved in the past two decades at the single-molecule level through the development of micromanipulation techniques such as magnetic and optical tweezers, atomic force microscopy, coupled with advances in micro- and nanofabrication. The statistical mechanical models of biopolymers developed in this dissertation are dependent upon and the outcome of these advancements and resulting experiments. The dissertation begins in chapter 1 with an introduction to the structure and thermodynamics of DNA and RNA, highlighting the importance and effectiveness of simple, two-state models in their description as a prelude to the emergence of two-state models in the research manuscripts. In chapter 2 the standard models of the elasticity of polymers and of a polymer gel are reviewed, characterizing the continuum and mean-field models, including the scaling behavior of DNA in confined spaces. The research manuscript presented in the last section of chapter 2 (section 2.5), subsequent to a review of a Flory gel and in contrast to it, is a model of the elasticity of RNA as a gel, with viral RNA illustrating an instance of such a network, and shown to exhibit anomalous elastic behavior, a negative Poisson ratio, and capable of facilitating viral RNA encapsidation with further context provided in section 5.1. In chapter 3 the experimental methods and behavior of DNA and RNA under mechanical

  1. Mean-field and direct numerical simulations of magnetic flux concentrations from vertical field

    NASA Astrophysics Data System (ADS)

    Brandenburg, A.; Gressel, O.; Jabbari, S.; Kleeorin, N.; Rogachevskii, I.

    2014-02-01

    Context. Strongly stratified hydromagnetic turbulence has previously been found to produce magnetic flux concentrations if the domain is large enough compared with the size of turbulent eddies. Mean-field simulations (MFS) using parameterizations of the Reynolds and Maxwell stresses show a large-scale negative effective magnetic pressure instability and have been able to reproduce many aspects of direct numerical simulations (DNS) regarding growth rate, shape of the resulting magnetic structures, and their height as a function of magnetic field strength. Unlike the case of an imposed horizontal field, for a vertical one, magnetic flux concentrations of equipartition strength with the turbulence can be reached, resulting in magnetic spots that are reminiscent of sunspots. Aims: We determine under what conditions magnetic flux concentrations with vertical field occur and what their internal structure is. Methods: We use a combination of MFS, DNS, and implicit large-eddy simulations (ILES) to characterize the resulting magnetic flux concentrations in forced isothermal turbulence with an imposed vertical magnetic field. Results: Using DNS, we confirm earlier results that in the kinematic stage of the large-scale instability the horizontal wavelength of structures is about 10 times the density scale height. At later times, even larger structures are being produced in a fashion similar to inverse spectral transfer in helically driven turbulence. Using ILES, we find that magnetic flux concentrations occur for Mach numbers between 0.1 and 0.7. They occur also for weaker stratification and larger turbulent eddies if the domain is wide enough. Using MFS, the size and aspect ratio of magnetic structures are determined as functions of two input parameters characterizing the parameterization of the effective magnetic pressure. DNS, ILES, and MFS show magnetic flux tubes with mean-field energies comparable to the turbulent kinetic energy. These tubes can reach a length of about

  2. Structural versus dynamical origins of mean-field behavior in a self-organized critical model of neuronal avalanches.

    PubMed

    Moosavi, S Amin; Montakhab, Afshin

    2015-01-01

    Critical dynamics of cortical neurons have been intensively studied over the past decade. Neuronal avalanches provide the main experimental as well as theoretical tools to consider criticality in such systems. Experimental studies show that critical neuronal avalanches show mean-field behavior. There are structural as well as recently proposed [Phys. Rev. E 89, 052139 (2014)] dynamical mechanisms that can lead to mean-field behavior. In this work we consider a simple model of neuronal dynamics based on threshold self-organized critical models with synaptic noise. We investigate the role of high-average connectivity, random long-range connections, as well as synaptic noise in achieving mean-field behavior. We employ finite-size scaling in order to extract critical exponents with good accuracy. We conclude that relevant structural mechanisms responsible for mean-field behavior cannot be justified in realistic models of the cortex. However, strong dynamical noise, which can have realistic justifications, always leads to mean-field behavior regardless of the underlying structure. Our work provides a different (dynamical) origin than the conventionally accepted (structural) mechanisms for mean-field behavior in neuronal avalanches.

  3. Treatment of Fluctuation Effects in Mean-field Models of Chain Stretching

    NASA Astrophysics Data System (ADS)

    Douglas, Jack; Mansfield, Marc

    1997-03-01

    Many recent studies of chain stretching in block copolymer materials, polymer brushes, and many-arm stars have been formulated in terms of mean- field models, leading generally to power-law potentials describing the chain stretching arising from interchain and intrachain excluded volume interactions. This type of model has been highly successful, but fluctuation effects associated with finite chain length are often neglected in model calculations. We investigate whether fluctuation effects can be accounted for by reintroducing these effective pseudo-potentials into a path-integral description to calculate the chain streching. Numerical treatment of chain swelling with repulsive power-law potentials leads to universal scaling curves which are similar to those found for chain swelling due to excluded volume in polymer solutions. Density profiles are also calculated and the parabolic potential led to a density profile having a "foot" for finite chain lengths, as in measurements on polymer "brushes". Analytic calculations indicate a general relation between the polymer size exponent nu and the power of the potential which also holds for Hamiltonian dynamical systems and thus the 2/3 power law describing the strong segregation scaling of block copolymer lamellae with chain mass corresponds to Kepler's third law of planetary motion relating the orbital scale to its period.

  4. Nuclear mean field and double-folding model of the nucleus-nucleus optical potential

    NASA Astrophysics Data System (ADS)

    Khoa, Dao T.; Phuc, Nguyen Hoang; Loan, Doan Thi; Loc, Bui Minh

    2016-09-01

    Realistic density dependent CDM3Yn versions of the M3Y interaction have been used in an extended Hartree-Fock (HF) calculation of nuclear matter (NM), with the nucleon single-particle potential determined from the total NM energy based on the Hugenholtz-van Hove theorem that gives rise naturally to a rearrangement term (RT). Using the RT of the single-nucleon potential obtained exactly at different NM densities, the density and energy dependence of the CDM3Yn interactions was modified to account properly for both the RT and observed energy dependence of the nucleon optical potential. Based on a local density approximation, the double-folding model of the nucleus-nucleus optical potential has been extended to take into account consistently the rearrangement effect and energy dependence of the nuclear mean-field potential, using the modified CDM3Yn interactions. The extended double-folding model was applied to study the elastic 12C+12C and 16O+12C scattering at the refractive energies, where the Airy structure of the nuclear rainbow has been well established. The RT was found to affect significantly the real nucleus-nucleus optical potential at small internuclear distances, giving a potential strength close to that implied by the realistic optical model description of the Airy oscillation.

  5. The nuclear mean field of sulfur from -80 to +80 MeV

    SciTech Connect

    Al-Ohali, M.A. |

    1994-12-31

    Neutron elastic-scattering differential cross section {sigma}({theta}) and analyzing power Ay({theta}) {delta}{alpha}{tau}{alpha} for {sup 32}S have been measured at incident neutron energies of 15.5 and 19 MeV. These data were combined with previous n-{sup 32}S scattering data (Ay({theta}), {sigma}({theta}) and total cross section) to form a large database in the energy range from 1 to 80 MeV. In addition, information about binding energies of the single-particle bound states for the n-{sup 32}S system was incorporated to extend the database to negative energies (down to {minus}80 MeV). The entire database was analyzed in the framework of the nuclear mean field (NMF). The NMF was derived from a Dispersive Optical Model (DOM) analysis that incorporates explicitly the dispersion relation which connects the real and the imaginary parts of the NMF. The extension of the DOM potential from positive to negative energy provides the shell-model potential used for predicting the binding energies of single-particle bound states. The DOM describes the scattering data very well in the energy range between 8 - 80 MeV, but it overestimates the total cross section for energies less than 8 MeV. The DOM predicts reasonably well the observed binding energies of the single-particle states.

  6. Cluster Dynamical Mean Field Methods and the Momentum-selective Mott transition

    NASA Astrophysics Data System (ADS)

    Gull, Emanuel

    2011-03-01

    Innovations in methodology and computational power have enabled cluster dynamical mean field calculations of the Hubbard model with interaction strengths and band structures representative of high temperature copper oxide superconductors, for clusters large enough that the thermodyamic limit behavior may be determined. We present the methods and show how extrapolations to the thermodynamic limit work in practice. We show that the Hubbard model with next-nearest neighbor hopping at intermediate interaction strength captures much of the exotic behavior characteristic of the high temperature superconductors. An important feature of the results is a pseudogap for hole doping but not for electron doping. The pseudogap regime is characterized by a gap for momenta near Brillouin zone face and gapless behavior near the zone diagonal. for dopings outside of the pseudogap regime we find scattering rates which vary around the fermi surface in a way consistent with recent transport measurements. Using the maximum entropy method we calculate spectra, self-energies, and response functions for Raman spectroscopy and optical conductivities, finding results also in good agreement with experiment. Olivier Parcollet, Philipp Werner, Nan Lin, Michel Ferrero, Antoine Georges, Andrew J. Millis; NSF-DMR-0705847.

  7. Investigation of single- and double-Λ hypernuclei using a beyond-mean-field approach

    NASA Astrophysics Data System (ADS)

    Cui, Ji-Wei; Zhou, Xian-Rong; Guo, Li-Xin; Schulze, Hans-Josef

    2017-02-01

    A beyond-mean-field approach consisting of angular momentum projection techniques and generator coordinate method based on Skyrme-Hartree-Fock calculations is employed to investigate single- and double-Λ hypernuclear systems. The density-dependent N Λ interactions derived from the Nijmegen soft-core potentials are used. Rotational energy spectra and electric-quadrupole transition strengths B (E 2 ) of the hypernuclei 13CΛ, 14CΛ Λ, 21Ne21Λ, and 22NeΛ Λ are presented and compared with those of the corresponding core nuclei 12C and 20Ne. The shrinkage effect of the Λ s is demonstrated by the B (E 2 ) values, the charge radii, and the shape deformation β of the nuclear core. It is found that the reduction of the B (E 2 ) values in 13CΛ and 14CΛΛ is mainly caused by the shrinkage of the charge radii of the nuclear cores, while the reduced shape deformations also play important roles; but the contrary is the case in Ne21Λ and 22NeΛΛ. Comparison between this and other theoretical models are made, and the differences between them are illuminated.

  8. Correlation patterns of NIKKEI index constituents. Towards a mean-field model

    NASA Astrophysics Data System (ADS)

    Hayashi, Katsuhiko; Kaizoji, Taisei; Pichl, Lukáš

    2007-09-01

    An analysis of minute-tick data from the Japanese stock index market is reported for a three-year period of 2000/7/4-2003/6/30. Correlation patterns and principal component distributions were determined for 180 constituents of the NIKKEI 225 index, excluding the effects of after-hours trading and constituent revisions. The first principal component describes about 30% of the total variance in constituent log returns (subject to slow decrease with the size of the correlation window), suggesting that a small number of physical parameters may describe the internal dynamics of the index, allowing for an adiabatic representation of index dynamics, and a self-consistent mean-field model of its constituents. Finally, it is shown that the introduction of a time gap into minute-tick data significantly improves the correlations of the price-weighed index with its constituents, even when such gap inserts are strictly penalized. This phenomenon corresponds to a heterogenous response time of index constituents to the adiabatic collective motion and also demonstrates the inhomogeneous nature of equidistant time ticks in financial trading.

  9. Autonomously Responsive Pumping by a Bacterial Flagellar Forest: A Mean-field Approach

    NASA Astrophysics Data System (ADS)

    Martindale, James; Fu, Henry C.

    2016-11-01

    The design and fabrication of microscale pumps using magnetically actuated bacterial flagella opens the door for many applications such as the pumping and regulation of chemicals. Here, we discuss simulations for a pump consisting of a regular two-dimensional array of rigid helices. Recent work investigating the flows above a small, finite array by numerically calculating the full dynamics showed that having random phase differences between helices seems essential to produce the flow patterns observed in experiments. We developed a model which allows us to treat random phase differences in an infinite array. Using a mean-field approach we define pumping as the existence of a self-consistent tilt angle of the array. Pumping is then examined numerically as a function of several parameters in the magnetic actuation and helical geometry. We demonstrate how this pumping flow may be mechanically halted by way of magnetic actuation or autonomously halted by the polymorphic transformation of bacterial flagella in response to environmental stimuli.

  10. TURBULENT CROSS-HELICITY IN THE MEAN-FIELD SOLAR DYNAMO PROBLEM

    SciTech Connect

    Pipin, V. V.; Kuzanyan, K. M.; Zhang, H.; Kosovichev, A. G.

    2011-12-20

    We study the dynamical and statistical properties of turbulent cross-helicity (correlation of the aligned fluctuating velocity and magnetic field components). We derive an equation governing generation and evolution of the turbulent cross-helicity and discuss its meaning for the dynamo. Using the symmetry properties of the problem we suggest a general expression for the turbulent cross-helicity. Effects of the density stratification, large-scale magnetic fields, differential rotation, and turbulent convection are taken into account. We investigate the relative contribution of these effects to the cross-helicity evolution for two kinds of dynamo models of the solar cycle: a distributed mean-field model and a flux-transport dynamo model. We show that the contribution from the density stratification follows the evolution of the radial magnetic field, while large-scale electric currents produce a more complicated pattern of the cross-helicity of comparable magnitude. The pattern of the cross-helicity evolution strongly depends on details of the dynamo mechanism. Thus, we anticipate that direct observations of the cross-helicity on the Sun may serve for the diagnostic purpose of the solar dynamo process.

  11. Hamiltonian mean field model: Effect of network structure on synchronization dynamics

    NASA Astrophysics Data System (ADS)

    Virkar, Yogesh S.; Restrepo, Juan G.; Meiss, James D.

    2015-11-01

    The Hamiltonian mean field model of coupled inertial Hamiltonian rotors is a prototype for conservative dynamics in systems with long-range interactions. We consider the case where the interactions between the rotors are governed by a network described by a weighted adjacency matrix. By studying the linear stability of the incoherent state, we find that the transition to synchrony begins when the coupling constant K is inversely proportional to the largest eigenvalue of the adjacency matrix. We derive a closed system of equations for a set of local order parameters to study the effect of network heterogeneity on the synchronization of the rotors. When K is just beyond the transition to synchronization, we find that the degree of synchronization is highly dependent on the network's heterogeneity, but that for large K the degree of synchronization is robust to changes in the degree distribution. Our results are illustrated with numerical simulations on Erdös-Renyi networks and networks with power-law degree distributions.

  12. Numerical evidence against both mean field and droplet scenarios of the Edwards-Anderson model

    NASA Astrophysics Data System (ADS)

    Fernandez, Julio F.; Alonso, Juan J.

    2013-03-01

    From tempered Monte Carlo simulations, we have obtained accurate probability distributions p (q) of the spin-overlap parameter q for finite Edwards-Anderson (EA) and Sherrington-Kirkpatrick (SK) spin-glass systems at low temperatures. Our results for p (q) follow from averages over 105 disordered samples of linear sizes L = 4 - 8 and over 15 000 samples for L = 10 . In both the SK and EA models, at temperatures as low as 0 . 2Tsg , where Tsg is the transition temperature, p (q) varies insignificantly with L. This does not fit the trend that the droplet model predicts for large L. We have also calculated correlation functions, F (q1 ,q2) , from which rms deviations, δp , over different realizations of quenched disorder, as well as thermal fluctuations, w, of q values, follow. Our numerical results for δp and w scale as √{ L} and 1 / L , respectively, in the SK model. This fits in well with mean field predictions. On the other hand, our data for w and δp vary little, if at all, for the EA model.

  13. Open-System Quantum Annealing in Mean-Field Models with Exponential Degeneracy*

    NASA Astrophysics Data System (ADS)

    Kechedzhi, Kostyantyn; Smelyanskiy, Vadim N.

    2016-04-01

    Real-life quantum computers are inevitably affected by intrinsic noise resulting in dissipative nonunitary dynamics realized by these devices. We consider an open-system quantum annealing algorithm optimized for such a realistic analog quantum device which takes advantage of noise-induced thermalization and relies on incoherent quantum tunneling at finite temperature. We theoretically analyze the performance of this algorithm considering a p -spin model that allows for a mean-field quasiclassical solution and, at the same time, demonstrates the first-order phase transition and exponential degeneracy of states, typical characteristics of spin glasses. We demonstrate that finite-temperature effects introduced by the noise are particularly important for the dynamics in the presence of the exponential degeneracy of metastable states. We determine the optimal regime of the open-system quantum annealing algorithm for this model and find that it can outperform simulated annealing in a range of parameters. Large-scale multiqubit quantum tunneling is instrumental for the quantum speedup in this model, which is possible because of the unusual nonmonotonous temperature dependence of the quantum-tunneling action in this model, where the most efficient transition rate corresponds to zero temperature. This model calculation is the first analytically tractable example where open-system quantum annealing algorithm outperforms simulated annealing, which can, in principle, be realized using an analog quantum computer.

  14. Caloric curve for nuclear liquid-gas phase transition in relativistic mean-field hadronic model

    NASA Astrophysics Data System (ADS)

    Parvan, A. S.

    2012-08-01

    The main thermodynamical properties of the first order phase transition of the relativistic mean-field (RMF) hadronic model were explored in the isobaric, the canonical and the grand canonical ensembles on the basis of the method of the thermodynamical potentials and their first derivatives. It was proved that the first order phase transition of the RMF model is the liquid-gas type one associated with the Gibbs free energy G. The thermodynamical potential G is the piecewise smooth function and its first order partial derivatives with respect to variables of state are the piecewise continuous functions. We have found that the energy in the caloric curve is discontinuous in the isobaric and the grand canonical ensembles at fixed values of the pressure and the chemical potential, respectively, and it is continuous, i.e. it has no plateau, in the canonical and microcanonical ensembles at fixed values of baryon density, while the baryon density in the isotherms is discontinuous in the isobaric and the canonical ensembles at fixed values of the temperature. The general criterion for the nuclear liquid-gas phase transition in the canonical ensemble was identified.

  15. Mean-field message-passing equations in the Hopfield model and its generalizations

    NASA Astrophysics Data System (ADS)

    Mézard, Marc

    2017-02-01

    Motivated by recent progress in using restricted Boltzmann machines as preprocessing algorithms for deep neural network, we revisit the mean-field equations [belief-propagation and Thouless-Anderson Palmer (TAP) equations] in the best understood of such machines, namely the Hopfield model of neural networks, and we explicit how they can be used as iterative message-passing algorithms, providing a fast method to compute the local polarizations of neurons. In the "retrieval phase", where neurons polarize in the direction of one memorized pattern, we point out a major difference between the belief propagation and TAP equations: The set of belief propagation equations depends on the pattern which is retrieved, while one can use a unique set of TAP equations. This makes the latter method much better suited for applications in the learning process of restricted Boltzmann machines. In the case where the patterns memorized in the Hopfield model are not independent, but are correlated through a combinatorial structure, we show that the TAP equations have to be modified. This modification can be seen either as an alteration of the reaction term in TAP equations or, more interestingly, as the consequence of message passing on a graphical model with several hidden layers, where the number of hidden layers depends on the depth of the correlations in the memorized patterns. This layered structure is actually necessary when one deals with more general restricted Boltzmann machines.

  16. Cluster mean-field signature of entanglement entropy in bosonic superfluid-insulator transitions

    NASA Astrophysics Data System (ADS)

    Zhang, Li; Qin, Xizhou; Ke, Yongguan; Lee, Chaohong

    2016-08-01

    Entanglement entropy (EE), a fundamental concept in quantum information for characterizing entanglement, has been extensively employed to explore quantum phase transitions (QPTs). Although the conventional single-site mean-field (MF) approach successfully predicts the emergence of QPTs, it fails to include any entanglement. Here, in the framework of a cluster MF treatment, we extract the signature of EE in bosonic superfluid-insulator (SI) transitions. We consider a trimerized Kagomé lattice of interacting bosons, in which each trimer is treated as a cluster, and implement the cluster MF treatment by decoupling all intertrimer hopping. In addition to superfluid and integer insulator phases, we find that fractional insulator phases appear when the tunneling is dominated by the intratrimer part. To quantify the residual bipartite entanglement in a cluster, we calculate the second-order Rényi entropy, which can be experimentally measured by quantum interference of many-body twins. The second-order Rényi entropy itself is continuous everywhere, however, the continuousness of its first-order derivative breaks down at the phase boundary. This means that the bosonic SI transitions can still be efficiently captured by the residual entanglement in our cluster MF treatment. Besides to the bosonic SI transitions, our cluster MF treatment may also be used to capture the signature of EE for other QPTs in quantum superlattice models.

  17. Hamiltonian mean field model: Effect of network structure on synchronization dynamics.

    PubMed

    Virkar, Yogesh S; Restrepo, Juan G; Meiss, James D

    2015-11-01

    The Hamiltonian mean field model of coupled inertial Hamiltonian rotors is a prototype for conservative dynamics in systems with long-range interactions. We consider the case where the interactions between the rotors are governed by a network described by a weighted adjacency matrix. By studying the linear stability of the incoherent state, we find that the transition to synchrony begins when the coupling constant K is inversely proportional to the largest eigenvalue of the adjacency matrix. We derive a closed system of equations for a set of local order parameters to study the effect of network heterogeneity on the synchronization of the rotors. When K is just beyond the transition to synchronization, we find that the degree of synchronization is highly dependent on the network's heterogeneity, but that for large K the degree of synchronization is robust to changes in the degree distribution. Our results are illustrated with numerical simulations on Erdös-Renyi networks and networks with power-law degree distributions.

  18. Understanding the edge effect in TASEP with mean-field theoretic approaches

    NASA Astrophysics Data System (ADS)

    Dong, J. J.; Zia, R. K. P.; Schmittmann, B.

    2009-01-01

    We study a totally asymmetric simple exclusion process (TASEP) with one defect site, hopping rate q < 1, near the system boundary. Regarding our system as a pair of uniform TASEP's coupled through the defect, we study various methods to match a finite TASEP and an infinite one across a common boundary. Several approximation schemes are investigated. Utilizing the finite segment mean-field (FSMF) method, we set up a framework for computing the steady state current J as a function of the entry rate α and q. For the case where the defect is located at the entry site, we obtain an analytical expression for J(α, q) which is in good agreement with Monte Carlo simulation results. When the defect is located deeper in the bulk, we refined the scheme of MacDonald et al (1968 Biopolymers 6 1) and find reasonably good fits to the density profiles before the defect site. We discuss the strengths and limitations of each method, as well as possible avenues for further studies.

  19. Numerical Tests of the Quasilinear Approximation of Mean-field Electrodynamics

    NASA Astrophysics Data System (ADS)

    Zsargo, J.; Petrovay, K.

    1995-05-01

    It is widely known that a sufficient condition for the applicability of quasilinear-type approximations (e.g. the second-order correlation approximation or SOCA) in mean-field electrodynamics is that Utau << min {l, H} where l, H, U and tau are characteristic horizontal and vertical scale lengths, velocity, and time, respectively. A necessary condition for their validity is however not known. In order to check the validity of the quasilinear results in cases where the above condition is not satisfied, as well as to study qualitative and quantitative differences between the quasilinear results and the actual solutions, we numerically solve the MHD induction equation for the kinematical case in a series of simplified "toy" model flows and then compare the results with the corresponding quasilinear solutions. Our model flows are two-dimensional two-component flows with simple (exponential or linear) stratifications. For conceptual clarity, in each model only one independent physical quantity (initial magnetic field, density, or velocity amplitude, respectively) has an inhomogeneous distribution. Solutions are computed for several widely differing values of the l/H horizontal/vertical scale length ratio. In all cases we find that the computed turbulent electromotive force does not differ from the quasilinear value by more than an order-of-unity factor, as long as Utau does not greatly exceed min {l, H}.

  20. Thermodynamic properties of rhodium at high temperature and pressure by using mean field potential approach

    NASA Astrophysics Data System (ADS)

    Kumar, Priyank; Bhatt, Nisarg K.; Vyas, Pulastya R.; Gohel, Vinod B.

    2016-10-01

    The thermophysical properties of rhodium are studied up to melting temperature by incorporating anharmonic effects due to lattice ions and thermally excited electrons. In order to account anharmonic effects due to lattice vibrations, we have employed mean field potential (MFP) approach and for thermally excited electrons Mermin functional. The local form of the pseudopotential with only one effective adjustable parameter rc is used to construct MFP and hence vibrational free energy due to ions - Fion. We have studied equation of state at 300 K and further, to access the applicability of present conjunction scheme, we have also estimated shock-Hugoniot and temperature along principle Hugoniot. We have carried out the study of temperature variation of several thermophysical properties like thermal expansion (βP), enthalpy (EH), specific heats at constant pressure and volume (CP and CV), specific heats due to lattice ions and thermally excited electrons ( and , isothermal and adiabatic bulk moduli (BT and Bs) and thermodynamic Gruneisen parameter (γth) in order to examine the inclusion of anharmonic effects in the present study. The computed results are compared with available experimental results measured by using different methods and previously obtained theoretical results using different theoretical philosophy. Our computed results are in good agreement with experimental findings and for some physical quantities better or comparable with other theoretical results. We conclude that local form of the pseudopotential used accounts s-p-d hybridization properly and found to be transferable at extreme environment without changing the values of the parameter. Thus, even the behavior of transition metals having complexity in electronic structure can be well understood with local pseudopotential without any modification in the potential at extreme environment. Looking to the success of present scheme (MFP + pseudopotential) we would like to extend it further for the

  1. EFFECTS OF LARGE-SCALE NON-AXISYMMETRIC PERTURBATIONS IN THE MEAN-FIELD SOLAR DYNAMO

    SciTech Connect

    Pipin, V. V.; Kosovichev, A. G.

    2015-11-10

    We explore the response of a nonlinear non-axisymmetric mean-field solar dynamo model to shallow non-axisymmetric perturbations. After a relaxation period, the amplitude of the non-axisymmetric field depends on the initial condition, helicity conservation, and the depth of perturbation. It is found that a perturbation that is anchored at 0.9 R{sub ⊙} has a profound effect on the dynamo process, producing a transient magnetic cycle of the axisymmetric magnetic field, if it is initiated at the growing phase of the cycle. The non-symmetric, with respect to the equator, perturbation results in a hemispheric asymmetry of the magnetic activity. The evolution of the axisymmetric and non-axisymmetric fields depends on the turbulent magnetic Reynolds number R{sub m}. In the range of R{sub m} = 10{sup 4}–10{sup 6} the evolution returns to the normal course in the next cycle, in which the non-axisymmetric field is generated due to a nonlinear α-effect and magnetic buoyancy. In the stationary state, the large-scale magnetic field demonstrates a phenomenon of “active longitudes” with cyclic 180° “flip-flop” changes of the large-scale magnetic field orientation. The flip-flop effect is known from observations of solar and stellar magnetic cycles. However, this effect disappears in the model, which includes the meridional circulation pattern determined by helioseismology. The rotation rate of the non-axisymmetric field components varies during the relaxation period and carries important information about the dynamo process.

  2. Single-chain-in-mean-field simulations of weak polyelectrolyte brushes

    NASA Astrophysics Data System (ADS)

    Léonforte, F.; Welling, U.; Müller, M.

    2016-12-01

    Structural properties of brushes which are composed of weak acidic and basic polyelectrolytes are studied in the framework of a particle-based approach that implicitly accounts for the solvent quality. Using a semi-grandcanonical partition function in the framework of the Single-Chain-in-Mean-Field (SCMF) algorithm, the weak polyelectrolyte is conceived as a supramolecular mixture of polymers in different dissociation states, which are explicitly treated in the partition function and sampled by the SCMF procedure. One obtains a local expression for the equilibrium acid-base reaction responsible for the regulation of the charged groups that is also incorporated to the SCMF sampling. Coupled to a simultaneous treatment of the electrostatics, the approach is shown to capture the main features of weak polyelectrolyte brushes as a function of the bulk pH in the solution, the salt concentration, and the grafting density. Results are compared to experimental and theoretical works from the literature using coarse-grained representations of poly(acrylic acid) (PAA) and poly(2-vinyl pyridine) (P2VP) polymer-based brushes. As the Born self-energy of ions can be straightforwardly included in the numerical approach, we also study its effect on the local charge regulation mechanism of the brush. We find that its effect becomes significant when the brush is dense and exposed to high salt concentrations. The numerical methodology is then applied (1) to the study of the kinetics of collapse/swelling of a P2VP brush and (2) to the ability of an applied voltage to induce collapse/swelling of a PAA brush in a pH range close to the pKa value of the polymer.

  3. Non-linear regimes in mean-field full-sphere dynamo

    NASA Astrophysics Data System (ADS)

    Pipin, V. V.

    2017-04-01

    The mean-field dynamo model is employed to study the non-linear dynamo regimes in a fully convective star of mass 0.3 M⊙ rotating with period of 10 d. For intermediate value of parameter of the turbulent magnetic Prandl number, PmT = 3, we found the oscillating dynamo regimes with period about 40 yr. The higher PmT results to longer dynamo periods. If the large-scale flows is fixed, we find that the dynamo transits from axisymmetric to non-axisymmetric regimes for the overcritical parameter of the α-effect. The change of dynamo regime occurs because of the non-axisymmetric non-linear α-effect. The situation persists in the fully non-linear dynamo models with regards for the magnetic feedback on the angular momentum balance and the heat transport in the star. It is found that the large-scale magnetic field quenches the latitudinal shear in the bulk of the star. However, the strong radial shear operates in the subsurface layer of the star. In the non-linear case, the profile of the angular velocity inside the star become close to the spherical surfaces. This supports the equator-ward migration of the axisymmetric magnetic field dynamo waves. It was found that the magnetic configuration of the star dominates by the regular non-axisymmetric mode m = 1. As a result of the differential rotation, it forms the Yin Yang magnetic polarity pattern with the strong (>500 G) poloidal magnetic field in polar regions.

  4. Clusters die hard: Time-correlated excitation in the Hamiltonian mean field model

    NASA Astrophysics Data System (ADS)

    Koyama, Hiroko; Konishi, Tetsuro; Ruffo, Stefano

    2008-07-01

    The Hamiltonian mean field (HMF) model has a low-energy phase where N particles are trapped inside a cluster. Here, we investigate some properties of the trapping/untrapping mechanism of a single particle into/outside the cluster. Since the single particle dynamics of the HMF model resembles the one of a simple pendulum, each particle can be identified as a high-energy particle (HEP) or a low-energy particle (LEP), depending on whether its energy is above or below the separatrix energy. We then define the trapping ratio as the ratio of the number of LEP to the total number of particles and the "fully-clustered" and "excited" dynamical states as having either no HEP or at least one HEP. We analytically compute the phase-space average of the trapping ratio by using the Boltzmann-Gibbs stable stationary solution of the Vlasov equation associated with the N → ∞ limit of the HMF model. The same quantity, obtained numerically as a time average, is shown to be in very good agreement with the analytical calculation. Another important feature of the dynamical behavior of the system is that the dynamical state changes transitionally: the "fully-clustered" and "excited" states appear in turn. We find that the distribution of the lifetime of the "fully-clustered" state obeys a power law. This means that clusters die hard, and that the excitation of a particle from the cluster is not a Poisson process and might be controlled by some type of collective motion with long memory. Such behavior should not be specific of the HMF model and appear also in systems where itinerancy among different "quasi-stationary" states has been observed. It is also possible that it could mimick the behavior of transient motion in molecular clusters or some observed deterministic features of chemical reactions.

  5. Second relativistic mean field and virial equation of state for astrophysical simulations

    SciTech Connect

    Shen, G.; Horowitz, C. J.; O'Connor, E.

    2011-06-15

    We generate a second equation of state (EOS) of nuclear matter for a wide range of temperatures, densities, and proton fractions for use in supernovae, neutron star mergers, and black hole formation simulations. We employ full relativistic mean field (RMF) calculations for matter at intermediate density and high density, and the virial expansion of a nonideal gas for matter at low density. For this EOS we use the RMF effective interaction FSUGold, whereas our earlier EOS was based on the RMF effective interaction NL3. The FSUGold interaction has a lower pressure at high densities compared to the NL3 interaction. We calculate the resulting EOS at over 100 000 grid points in the temperature range T=0 to 80 MeV, the density range n{sub B}=10{sup -8} to 1.6 fm{sup -3}, and the proton fraction range Y{sub p}=0 to 0.56. We then interpolate these data points using a suitable scheme to generate a thermodynamically consistent equation of state table on a finer grid. We discuss differences between this EOS, our NL3-based EOS, and previous EOSs by Lattimer-Swesty and H. Shen et al. for the thermodynamic properties, composition, and neutron star structure. The original FSUGold interaction produces an EOS, which we call FSU1.7, that has a maximum neutron star mass of 1.7 solar masses. A modification in the high-density EOS is introduced to increase the maximum neutron star mass to 2.1 solar masses and results in a slightly different EOS that we call FSU2.1. The EOS tables for FSU1.7 and FSU2.1 are available for download.

  6. Real-space, mean-field algorithm to numerically calculate long-range interactions

    NASA Astrophysics Data System (ADS)

    Cadilhe, A.; Costa, B. V.

    2016-02-01

    Long-range interactions are known to be of difficult treatment in statistical mechanics models. There are some approaches that introduce a cutoff in the interactions or make use of reaction field approaches. However, those treatments suffer the illness of being of limited use, in particular close to phase transitions. The use of open boundary conditions allows the sum of the long-range interactions over the entire system to be done, however, this approach demands a sum over all degrees of freedom in the system, which makes a numerical treatment prohibitive. Techniques like the Ewald summation or fast multipole expansion account for the exact interactions but are still limited to a few thousands of particles. In this paper we introduce a novel mean-field approach to treat long-range interactions. The method is based in the division of the system in cells. In the inner cell, that contains the particle in sight, the 'local' interactions are computed exactly, the 'far' contributions are then computed as the average over the particles inside a given cell with the particle in sight for each of the remaining cells. Using this approach, the large and small cells limits are exact. At a fixed cell size, the method also becomes exact in the limit of large lattices. We have applied the procedure to the two-dimensional anisotropic dipolar Heisenberg model. A detailed comparison between our method, the exact calculation and the cutoff radius approximation were done. Our results show that the cutoff-cell approach outperforms any cutoff radius approach as it maintains the long-range memory present in these interactions, contrary to the cutoff radius approximation. Besides that, we calculated the critical temperature and the critical behavior of the specific heat of the anisotropic Heisenberg model using our method. The results are in excellent agreement with extensive Monte Carlo simulations using Ewald summation.

  7. Electronic reconstruction of hexagonal FeS: a view from density functional dynamical mean-field theory

    NASA Astrophysics Data System (ADS)

    Craco, L.; Faria, J. L. B.; Leoni, S.

    2017-03-01

    We present a detailed study of correlation- and pressure-induced electronic reconstruction in hexagonal iron monosulfide, a system which is widely found in meteorites and one of the components of Earth’s core. Based on a perusal of experimental data, we stress the importance of multi-orbital electron-electron interactions in concert with first-principles band structure calculations for a consistent understanding of its intrinsic Mott–Hubbard insulating state. We explain the anomalous nature of pressure-induced insulator-metal-insulator transition seen in experiment, showing that it is driven by dynamical spectral weight transfer in response to changes in the crystal-field splittings under pressure. As a byproduct of this analysis, we confirm that the electronic transitions observed in pristine FeS at moderated pressures are triggered by changes in the spin state which causes orbital-selective Kondo quasiparticle electronic reconstruction at low energies.

  8. On Reverse Stackelberg Game and Optimal Mean Field Control for a Large Population of Thermostatically Controlled Loads

    SciTech Connect

    Li, Sen; Zhang, Wei; Lian, Jianming; Kalsi, Karanjit

    2016-07-08

    This paper studies a multi-stage pricing problem for a large population of thermostatically controlled loads. The problem is formulated as a reverse Stackelberg game that involves a mean field game in the hierarchy of decision making. In particular, in the higher level, a coordinator needs to design a pricing function to motivate individual agents to maximize the social welfare. In the lower level, the individual utility maximization problem of each agent forms a mean field game coupled through the pricing function that depends on the average of the population control/state. We derive the solution to the reverse Stackelberg game by connecting it to a team problem and the competitive equilibrium, and we show that this solution corresponds to the optimal mean field control that maximizes the social welfare. Realistic simulations are presented to validate the proposed methods.

  9. A Mean Field Approach to Self-Organization in Spatially Extended Perception-Action and Psychological Systems

    NASA Astrophysics Data System (ADS)

    Frank, Till; Beek, Peter

    It is argued that perception-action systems should be considered as spatially extended systems on account of (i) the presence of spatially distributed synchronized brain activity during the performance of perceptual-motor tasks, and (ii) the failure of conventional zero-dimensional theoretical approaches to deal with multistable perception-action systems and hysteresis in the presence of noise. It is shown that in spatially extended systems self-organization can arise due to the emergence of mean field attractors. This mean field approach is exemplified for a particular class of perception-action systems, namely, rhythmic movements. In addition, clinical implications of the mean field approach and the notion of spatially extended perception-action systems are briefly discussed in the context of psychotherapy and Parkinson's disease.

  10. The effect of inclusion of Δ resonances in relativistic mean-field model with scaled hadron masses and coupling constants

    NASA Astrophysics Data System (ADS)

    Maslov, K. A.; Kolomeitsev, E. E.; Voskresensky, D. N.

    2017-01-01

    Knowledge of the equation of state of the baryon matter plays a decisive role in the description of neutron stars. With an increase of the baryon density the filling of Fermi seas of hyperons and Δ isobars becomes possible. Their inclusion into standard relativistic mean-field models results in a strong softening of the equation of state and a lowering of the maximum neutron star mass below the measured values. We extend a relativistic mean-field model with scaled hadron masses and coupling constants developed in our previous works and take into account now not only hyperons but also the Δ isobars. We analyze available empirical information to put constraints on coupling constants of Δs to mesonic mean fields. We show that the resulting equation of state satisfies majority of presently known experimental constraints.

  11. Differences between Mean-Field Dynamics and N-Particle Quantum Dynamics as a Signature of Entanglement

    SciTech Connect

    Weiss, Christoph; Teichmann, Niklas

    2008-04-11

    A Bose-Einstein condensate in a tilted double-well potential under the influence of time-periodic potential differences is investigated in the regime where the mean-field (Gross-Pitaevskii) dynamics become chaotic. For some parameters near stable regions, even averaging over several condensate oscillations does not remove the differences between mean-field and N-particle results. While introducing decoherence via piecewise deterministic processes reduces those differences, they are due to the emergence of mesoscopic entangled states in the chaotic regime.

  12. Isotropic-nematic interface in suspensions of hard rods: mean-field properties and capillary waves.

    PubMed

    Wolfsheimer, S; Tanase, C; Shundyak, K; van Roij, R; Schilling, T

    2006-06-01

    We present a study of the isotropic-nematic interface in a system of hard spherocylinders. First we compare results from Monte Carlo simulations and Onsager density functional theory for the interfacial profiles of the orientational order parameter and the density. Those interfacial properties that are not affected by capillary waves are in good agreement, despite the fact that Onsager theory overestimates the coexistence densities. Then we show results of a Monte Carlo study of the capillary waves of the interface. In agreement with recent theoretical investigations [Elgeti and Schmid, Eur. Phys. J. E 18, 407 (2005)] we find a strongly anisotropic capillary wave spectrum. For the wave numbers accessed in our simulations, the spectrum is quadratic, i.e., elasticity does not play a role. We conjecture that this effect is due to the strong bending rigidity of the director field in suspensions of spherocylinders.

  13. Universal structures in some mean field spin glasses and an application

    NASA Astrophysics Data System (ADS)

    Bolthausen, Erwin; Kistler, Nicola

    2008-12-01

    We discuss a spin glass reminiscent of the random energy model (REM), which allows, in particular, to recast the Parisi minimization into a more classical Gibbs variational principle, thereby shedding some light into the physical meaning of the order parameter of the Parisi theory. As an application, we study the impact of an extensive cavity field on Derrida's REM: Despite its simplicity, this model displays some interesting features such as ultrametricity and chaos in temperature.

  14. Quantum Chemistry for Large Molecules: Linear-Scaling Mean-Field and Correlated Approaches

    NASA Astrophysics Data System (ADS)

    Ochsenfeld, Christian

    2009-03-01

    A brief review of our work to attain linear scaling computational effort for Hartree-Fock (HF), Density-Functional Theory (DFT), and second-order Mo/ller-Plesset perturbation theory (MP2) is presented. While we describe linear-scaling methods for calculating molecular response properties of large molecules for HF and DFT, we focus on energetics and energy gradients at the MP2 level. A key element of our approach is the use of multipole-based integral estimates (MBIE) which allow to rigorously preselect four-center two-electron integrals ubiquitous in quantum chemistry. MBIE does not only account for the exponential coupling between basis functions forming charge distributions, but also for the 1/R coupling between the charge distributions. In context of an atomic-orbital based formulation of MP2 theory, the MBIE preselection of significant contributions opens the way to achieve linear scaling, while numerical errors remain fully controlled. The largest system computed sofar at the MP2 level is a DNA strand with 16 base pairs, 1052 atoms, and 10 674 basis functions.

  15. Double Lynden-Bell structure of low-energy quasistationary distributions in the Hamiltonian mean-field model.

    PubMed

    Konishi, Eiji; Sakagami, Masa-aki

    2015-03-01

    In the Hamiltonian mean-field model, we study the core-halo structure of low-energy quasistationary states under unsteady water-bag type initial conditions. The core-halo structure results in the superposition of two independent Lynden-Bell distributions. We examine the completeness of the Lynden-Bell relaxation and the relaxation between these two Lynden-Bell distributions.

  16. Stochastic approach to correlations beyond the mean field with the Skyrme interaction

    SciTech Connect

    Fukuoka, Y.; Nakatsukasa, T.; Funaki, Y.; Yabana, K.

    2012-10-20

    Large-scale calculation based on the multi-configuration Skyrme density functional theory is performed for the light N=Z even-even nucleus, {sup 12}C. Stochastic procedures and the imaginary-time evolution are utilized to prepare many Slater determinants. Each state is projected on eigenstates of parity and angular momentum. Then, performing the configuration mixing calculation with the Skyrme Hamiltonian, we obtain low-lying energy-eigenstates and their explicit wave functions. The generated wave functions are completely free from any assumption and symmetry restriction. Excitation spectra and transition probabilities are well reproduced, not only for the ground-state band, but for negative-parity excited states and the Hoyle state.

  17. Dynamics and termination cost of spatially coupled mean-field models

    NASA Astrophysics Data System (ADS)

    Caltagirone, Francesco; Franz, Silvio; Morris, Richard G.; Zdeborová, Lenka

    2014-01-01

    This work is motivated by recent progress in information theory and signal processing where the so-called spatially coupled design of systems leads to considerably better performance. We address relevant open questions about spatially coupled systems through the study of a simple Ising model. In particular, we consider a chain of Curie-Weiss models that are coupled by interactions up to a certain range. Indeed, it is well known that the pure (uncoupled) Curie-Weiss model undergoes a first-order phase transition driven by the magnetic field, and furthermore in the spinodal region such systems are unable to reach equilibrium in subexponential time if initialized in the metastable state. In contrast, the spatially coupled system is instead able to reach the equilibrium even when initialized to the metastable state. The equilibrium phase propagates along the chain in the form of a traveling wave. Here we study the speed of the wave front and the so-called termination cost—i.e., the conditions necessary for the propagation to occur. We reach several interesting conclusions about optimization of the speed and the cost.

  18. Real-space mean-field approach to polymeric ternary systems

    NASA Astrophysics Data System (ADS)

    Komura, Shigeyuki; Kodama, Hiroya; Tamura, Keizo

    2002-12-01

    Phase separated structure of ternary blends of A and B homopolymers and symmetric AB diblock copolymer is investigated using a lattice (real-space) self-consistent field theory. This paper includes the detailed description of our published results [Kodama, Komura, and Tamura, Europhys. Lett. 53, 46 (2001)] as well as more extended calculations. We consider the symmetric case, namely, (i) both A and B homopolymers have the same degree of polymerization NA=NB; (ii) AB diblock copolymer of length NAB is symmetric; (iii) average volume fractions of A and B homopolymers are equal. We looked into the influence of relative chain lengths α=NA/NAB on the phase separated structure. Our numerical simulations are performed in the real space without assuming the symmetry of the structure a priori. For the fixed copolymer length and α<1, the typical length scale of the microphase separated structure become smaller for relatively shorter homopolymer chains (small α). In other words, the homopolymers becomes more efficient to swell the microphase separated structure for longer homopolymer chains (large α). Detailed free-energy analysis revealed that the stability of the lamellar phase is marginal for small block copolymer volume fraction. For α>1, on the other hand, three-phase coexistence either between the disorder, A-rich and B-rich phases or between the lamellar, A-rich and B-rich phases is observed.

  19. Neural networks with excitatory and inhibitory components: Direct and inverse problems by a mean-field approach

    NASA Astrophysics Data System (ADS)

    di Volo, Matteo; Burioni, Raffaella; Casartelli, Mario; Livi, Roberto; Vezzani, Alessandro

    2016-01-01

    We study the dynamics of networks with inhibitory and excitatory leak-integrate-and-fire neurons with short-term synaptic plasticity in the presence of depressive and facilitating mechanisms. The dynamics is analyzed by a heterogeneous mean-field approximation, which allows us to keep track of the effects of structural disorder in the network. We describe the complex behavior of different classes of excitatory and inhibitory components, which give rise to a rich dynamical phase diagram as a function of the fraction of inhibitory neurons. Using the same mean-field approach, we study and solve a global inverse problem: reconstructing the degree probability distributions of the inhibitory and excitatory components and the fraction of inhibitory neurons from the knowledge of the average synaptic activity field. This approach unveils new perspectives on the numerical study of neural network dynamics and the possibility of using these models as a test bed for the analysis of experimental data.

  20. MEAN-FIELD MODELING OF AN α{sup 2} DYNAMO COUPLED WITH DIRECT NUMERICAL SIMULATIONS OF RIGIDLY ROTATING CONVECTION

    SciTech Connect

    Masada, Youhei; Sano, Takayoshi E-mail: sano@ile.osaka-u.ac.jp

    2014-10-10

    The mechanism of large-scale dynamos in rigidly rotating stratified convection is explored by direct numerical simulations (DNS) in Cartesian geometry. A mean-field dynamo model is also constructed using turbulent velocity profiles consistently extracted from the corresponding DNS results. By quantitative comparison between the DNS and our mean-field model, it is demonstrated that the oscillatory α{sup 2} dynamo wave, excited and sustained in the convection zone, is responsible for large-scale magnetic activities such as cyclic polarity reversal and spatiotemporal migration. The results provide strong evidence that a nonuniformity of the α-effect, which is a natural outcome of rotating stratified convection, can be an important prerequisite for large-scale stellar dynamos, even without the Ω-effect.

  1. Sedimentation of shelf sandstones in Queen Formation, McFarland and Means fields, central basin platform of Permian basin

    SciTech Connect

    Malicse, A.; Mazzullo, J.; Holley, C.; Mazzullo, S.J.

    1988-01-01

    The Queen Formation is a sequence of carbonates, evaporites, and sandstones of Permian (Guadalupian) age that is found across the subsurface of the Central Basin platform of the Permian basin. The formation is a major hydrocarbon reservoir in this region, and its primary reservoir facies are porous shelf sandstones and dolomites. Cores and well logs from McFarland and Means fields (on the northwest margin of the Central Basin platform) were examined to determine the sedimentary history of the shelf sandstones.

  2. Threshold for chaos and thermalization in the one-dimensional mean-field bose-hubbard model.

    PubMed

    Cassidy, Amy C; Mason, Douglas; Dunjko, Vanja; Olshanii, Maxim

    2009-01-16

    We study the threshold for chaos and its relation to thermalization in the 1D mean-field Bose-Hubbard model, which, in particular, describes atoms in optical lattices. We identify the threshold for chaos, which is finite in the thermodynamic limit, and show that it is indeed a precursor of thermalization. Far above the threshold, the state of the system after relaxation is governed by the usual laws of statistical mechanics.

  3. Mean-field description and propagation of chaos in networks of Hodgkin-Huxley and FitzHugh-Nagumo neurons.

    PubMed

    Baladron, Javier; Fasoli, Diego; Faugeras, Olivier; Touboul, Jonathan

    2012-05-31

    We derive the mean-field equations arising as the limit of a network of interacting spiking neurons, as the number of neurons goes to infinity. The neurons belong to a fixed number of populations and are represented either by the Hodgkin-Huxley model or by one of its simplified version, the FitzHugh-Nagumo model. The synapses between neurons are either electrical or chemical. The network is assumed to be fully connected. The maximum conductances vary randomly. Under the condition that all neurons' initial conditions are drawn independently from the same law that depends only on the population they belong to, we prove that a propagation of chaos phenomenon takes place, namely that in the mean-field limit, any finite number of neurons become independent and, within each population, have the same probability distribution. This probability distribution is a solution of a set of implicit equations, either nonlinear stochastic differential equations resembling the McKean-Vlasov equations or non-local partial differential equations resembling the McKean-Vlasov-Fokker-Planck equations. We prove the well-posedness of the McKean-Vlasov equations, i.e. the existence and uniqueness of a solution. We also show the results of some numerical experiments that indicate that the mean-field equations are a good representation of the mean activity of a finite size network, even for modest sizes. These experiments also indicate that the McKean-Vlasov-Fokker-Planck equations may be a good way to understand the mean-field dynamics through, e.g. a bifurcation analysis.Mathematics Subject Classification (2000): 60F99, 60B10, 92B20, 82C32, 82C80, 35Q80.

  4. Mean-field description and propagation of chaos in networks of Hodgkin-Huxley and FitzHugh-Nagumo neurons

    PubMed Central

    2012-01-01

    We derive the mean-field equations arising as the limit of a network of interacting spiking neurons, as the number of neurons goes to infinity. The neurons belong to a fixed number of populations and are represented either by the Hodgkin-Huxley model or by one of its simplified version, the FitzHugh-Nagumo model. The synapses between neurons are either electrical or chemical. The network is assumed to be fully connected. The maximum conductances vary randomly. Under the condition that all neurons’ initial conditions are drawn independently from the same law that depends only on the population they belong to, we prove that a propagation of chaos phenomenon takes place, namely that in the mean-field limit, any finite number of neurons become independent and, within each population, have the same probability distribution. This probability distribution is a solution of a set of implicit equations, either nonlinear stochastic differential equations resembling the McKean-Vlasov equations or non-local partial differential equations resembling the McKean-Vlasov-Fokker-Planck equations. We prove the well-posedness of the McKean-Vlasov equations, i.e. the existence and uniqueness of a solution. We also show the results of some numerical experiments that indicate that the mean-field equations are a good representation of the mean activity of a finite size network, even for modest sizes. These experiments also indicate that the McKean-Vlasov-Fokker-Planck equations may be a good way to understand the mean-field dynamics through, e.g. a bifurcation analysis. Mathematics Subject Classification (2000): 60F99, 60B10, 92B20, 82C32, 82C80, 35Q80. PMID:22657695

  5. Mean-field interactions between nucleic-acid-base dipoles can drive the formation of the double helix

    PubMed Central

    He, Yi; Maciejczyk, Maciej; Ołdziej, Stanisław; Scheraga, Harold A.; Liwo, Adam

    2013-01-01

    A proposed coarse-grained model of nucleic acids demonstrates that average interactions between base dipoles, together with chain connectivity and excluded-volume interactions, are sufficient to form double-helical structures of DNA and RNA molecules. Additionally, local interactions determine helix handedness and direction of strand packing. This result, and earlier research on reduced protein models, suggest that mean-field multipole-multipole interactions are the principal factors responsible for the formation of regular structure of biomolecules. PMID:23496746

  6. Hydrodynamics and electrokinetics of spherical liposomes with coatings of terminally anchored poly(ethylene glycol): Numerically exact electrokinetics with self-consistent mean-field polymer

    NASA Astrophysics Data System (ADS)

    Hill, Reghan J.

    2004-11-01

    A detailed theoretical model is presented to interpret electrokinetic experiments performed on colloids with uncharged polymer layers. The methodology removes many of the degrees of freedom that otherwise have to be accounted for by adopting multiple empirical fitting parameters. Furthermore, the level of detail provides a firm basis for future studies examining liposome surface chemistry and charge, surface-charge mobility, and the dynamics of adsorbed polymer on fluidlike membranes. The model predictions are compared with experimental measurements of the electrophoretic mobility of stealth liposomes with molecular weights of terminally anchored poly(ethylene glycol) (PEG) in the range 0.35-10kgmol-1 [J. A. Cohen and V. A. Khorosheva, Colloids Surf. A 195, 113 (2001)]. The experimental data are interpreted by drawing upon self-consistent mean-field calculations of the polymer segment density distributions and numerically exact solutions of the governing transport equations [R. J. Hill, D. A. Saville, and W. B. Russel, J. Colloid Interface Sci. 258, 56 (2003)]. The approach leads to excellent agreement between theory and experiment with one adjustable parameter—the hydrodynamic size (Stokes radius) as≈0.175Å of the statistical PEG segments with (Kuhn) length l=7.1Å . The remarkably small Stokes radius is demonstrated to be consistent with other applications of the well-known Debye-Brinkman model and, consequently, this work reveals important limitations of the mean-field hydrodynamic model. Despite such limitations, the “full” electrokinetic model is robust in its predictive capacity. The molecular weights of the terminally anchored PEG span the range where the coatings undergo a transition from mushroomlike to brushlike conformations, and the hydrodynamic size and electrophoretic mobility of the liposomes are demonstrated to be sensitive to the PEG chain length and the effects of double-layer polarization.

  7. Lars Onsager Prize: The mean field solution for Hard Sphere Jamming and a new scenario for the low temperature landscape of glasses

    NASA Astrophysics Data System (ADS)

    Parisi, Giorgio

    In a hard spheres systems particles cannot overlap. Increasing the density we reach a point where most of the particles are blocked and the density cannot be increased any more: this is the jamming point. The jamming point separates the phase, where all the constraint can be satisfied, from an unsatifiable phase, where spheres do have to overlap. A scaling theory of the behavior around the jamming critical point has been formulated and a few critical exponents have been introduced. The exponents are apparently super-universal, as far as they do seem to be independent from the space dimensions. The mean field version of the model (i.e. the infinite dimensions limit) has been solved analytically using broken replica symmetry techniques and the computed critical exponents have been found in a remarkable agreement with three-dimensional and two-dimensional numerical results and experiments. The theory predicts in hard spheres (in glasses) a new transition (the Gardener transition) from the replica symmetric phase to the replica broken phase at high density (at low temperature), in agreement with simulations on hard sphere systems. I will briefly discuss the possible consequences of this new picture on the very low temperature behavior of glasses in the quantum regime.

  8. Mean-field coarse-grained model for poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) triblock copolymer systems.

    PubMed

    García Daza, Fabián A; Colville, Alexander J; Mackie, Allan D

    2015-03-31

    The microscopic modeling of surfactant systems is of the utmost importance in understanding the mechanisms related to the micellization process because it allows for prediction and comparison with experimental data of diverse equilibrium system properties. In this work, we present a coarse-grained model for Pluronics, a trademarked type of triblock copolymer, from simulations based on a single-chain mean-field theory (SCMF). This microscopic model is used to quantify the micellization process of these nonionic surfactants at 37 °C and has been shown to be able to quantitatively reproduce experimental data of the critical micelle concentration (CMC) along with other equilibrium properties. In particular, these results correctly capture the experimental behavior with respect to the lengths of the hydrophobic and hydrophilic moieties of the surfactants for low and medium hydrophobicities. However, for the more highly hydrophobic systems with low CMCs, a deviation is found which has been previously attributed to nonequilibrium effects in the experimental data (Garcı́a Daza, F. A.; Mackie, A. D. Low Critical Micelle Concentration Discrepancy between Theory and Experiment. J. Phys. Chem. Lett. 2014, 5, 2027-2032).

  9. Magicity of the Ca52 and Ca54 isotopes and tensor contribution within a mean-field approach

    NASA Astrophysics Data System (ADS)

    Grasso, Marcella

    2014-03-01

    I investigate the magicity of the isotopes Ca52 and Ca54, which was recently confirmed by two experimental measurements, and relate it to like-particle and neutron-proton tensor effects within a mean-field description. By analyzing Ca isotopes, it is shown that the like-particle tensor contribution induces shell effects that render these nuclei more magic than would be predicted by neglecting it. In particular, such induced shell effects are stronger in the Ca52 nucleus, and the single-particle gaps are increased in both isotopes due to the tensor force. By studying N =32 and N =34 isotones, neutron-proton tensor effects may be isolated and their role analyzed. It is shown that neutron-proton tensor effects lead to increasing N =32 and N =34 gaps, when going along isotonic chains, from Fe58 to Ca52 and from Fe60 to Ca54, respectively. Mean-field calculations are perfomed by employing one Skyrme parameter set, which was introduced in a previous work by fitting the tensor parameters together with the spin-orbit strength. The signs and values of the tensor strengths are thus checked within this specific application. The obtained results indicate that the employed parameter set, even if generated with a partial adjustment of the parameters of the force, leads to the correct shell behavior and provides, in particular, a description of the magicity of Ca52 and Ca54 within a pure mean-field picture with the effective two-body Skyrme interaction.

  10. Mean-field dispersion-induced spatial synchrony, oscillation and amplitude death, and temporal stability in an ecological model.

    PubMed

    Banerjee, Tanmoy; Dutta, Partha Sharathi; Gupta, Anubhav

    2015-05-01

    One of the most important issues in spatial ecology is to understand how spatial synchrony and dispersal-induced stability interact. In the existing studies it is shown that dispersion among identical patches results in spatial synchrony; on the other hand, the combination of spatial heterogeneity and dispersion is necessary for dispersal-induced stability (or temporal stability). Population synchrony and temporal stability are thus often thought of as conflicting outcomes of dispersion. In contrast to the general belief, in this present study we show that mean-field dispersion is conducive to both spatial synchrony and dispersal-induced stability even in identical patches. This simultaneous occurrence of rather conflicting phenomena is governed by the suppression of oscillation states, namely amplitude death (AD) and oscillation death (OD). These states emerge through spatial synchrony of the oscillating patches in the strong-coupling strength. We present an interpretation of the mean-field diffusive coupling in the context of ecology and identify that, with increasing mean-field density, an open ecosystem transforms into a closed ecosystem. We report on the occurrence of OD in an ecological model and explain its significance. Using a detailed bifurcation analysis we show that, depending on the mortality rate and carrying capacity, the system shows either AD or both AD and OD. We also show that the results remain qualitatively the same for a network of oscillators. We identify a new transition scenario between the same type of oscillation suppression states whose geneses differ. In the parameter-mismatched case, we further report on the direct transition from OD to AD through a transcritical bifurcation. We believe that this study will lead to a proper interpretation of AD and OD in ecology, which may be important for the conservation and management of several communities in ecosystems.

  11. Brain activity modeling in general anesthesia: Enhancing local mean-field models using a slow adaptive firing rate

    NASA Astrophysics Data System (ADS)

    Molaee-Ardekani, B.; Senhadji, L.; Shamsollahi, M. B.; Vosoughi-Vahdat, B.; Wodey, E.

    2007-10-01

    In this paper, an enhanced local mean-field model that is suitable for simulating the electroencephalogram (EEG) in different depths of anesthesia is presented. The main building elements of the model (e.g., excitatory and inhibitory populations) are taken from Steyn-Ross [M. L. Steyn-Ross , Phys. Rev. E 64, 011917 (2001), D. A. Steyn-Ross , Phys. Rev. E 64, 011918 (2001)] and Bojak and Liley [I. Bojak and D. T. Liley, Phys. Rev. E 71, 041902 (2005)] mean-field models and a new slow ionic mechanism is included in the main model. Generally, in mean-field models, some sigmoid-shape functions determine firing rates of neural populations according to their mean membrane potentials. In the enhanced model, the sigmoid function corresponding to excitatory population is redefined to be also a function of the slow ionic mechanism. This modification adapts the firing rate of neural populations to slow ionic activities of the brain. When an anesthetic drug is administered, the slow mechanism may induce neural cells to alternate between two levels of activity referred to as up and down states. Basically, the frequency of up-down switching is in the delta band (0-4Hz) and this is the main reason behind high amplitude, low frequency fluctuations of EEG signals in anesthesia. Our analyses show that the enhanced model may have different working states driven by anesthetic drug concentration. The model is settled in the up state in the waking period, it may switch to up and down states in moderate anesthesia while in deep anesthesia it remains in the down state.

  12. Mean-field methods in evolutionary duplication-innovation-loss models for the genome-level repertoire of protein domains

    NASA Astrophysics Data System (ADS)

    Angelini, A.; Amato, A.; Bianconi, G.; Bassetti, B.; Cosentino Lagomarsino, M.

    2010-02-01

    We present a combined mean-field and simulation approach to different models describing the dynamics of classes formed by elements that can appear, disappear, or copy themselves. These models, related to a paradigm duplication-innovation model known as Chinese restaurant process, are devised to reproduce the scaling behavior observed in the genome-wide repertoire of protein domains of all known species. In view of these data, we discuss the qualitative and quantitative differences of the alternative model formulations, focusing in particular on the roles of element loss and of the specificity of empirical domain classes.

  13. Determination of the critical coupling of explosive synchronization transitions in scale-free networks by mean-field approximations.

    PubMed

    Peron, Thomas Kauê Dal'maso; Rodrigues, Francisco A

    2012-11-01

    An explosive synchronization can be observed in scale-free networks when Kuramoto oscillators have natural frequencies equal to their number of connections. The present paper reports on mean-field approximations to determine the critical coupling of such explosive synchronization. It has been verified that the equation obtained for the critical coupling has an inverse dependence on the network average degree. This expression differs from those whose frequency distributions are unimodal and even. In this case, the critical coupling depends on the ratio between the first and second statistical moments of the degree distribution. Numerical simulations were also conducted to verify our analytical results.

  14. Connection between the nuclear matter mean-field equation of state and the quark and gluon condensates at high density

    SciTech Connect

    Malheiro, M.; Dey, M.; Delfino, A.; Dey, J. |||

    1997-01-01

    It is known now that chiral symmetry restoration requires the meson-nucleon couplings to be density-dependent in nuclear-matter mean-field models. We further show that, quite generally, the quark and gluon condensates in medium are related to the trace of the energy-momentum tensor of nuclear matter and in these models the incompressibility K must be less than 3 times the chemical potential {mu}. In the critical density {rho}{sub c}, the gluon condensate is only reduced by 20{percent}, indicating a larger effective nucleon mass. {copyright} {ital 1997} {ital The American Physical Society}

  15. Restudy of surface tension of QGP with one-loop correction in the mean-field potential

    NASA Astrophysics Data System (ADS)

    Singh, S. Somorendro; Gupta, K. K.; Jha, A. K.

    2014-07-01

    Surface tension of quark-gluon plasma (QGP) evolution with one-loop correction in the mean-field potential is studied. First, with the correction, the stable QGP droplet size decreases. Then, the value of surface tension is found to be improved and it approaches to the lattice value of surface tension 0.24Tc3. Moreover, the ratio of the surface tension to the cube of the critical temperature is found to increase the value in comparison to earlier studies without correction factor [R. Ramanathan, K. K. Gupta, A. K. Jha and S. S. Singh, Pram. J. Phys. 68, 757 (2007)].

  16. Mean-Field and RPA Approaches to Stable and Unstable Nuclei with Semi-Realistic NN Interaction

    SciTech Connect

    Nakada, H.

    2011-05-06

    A M3Y-type semi-realistic NN interaction has been applied to the mean-field and the RPA calculations. Explicitly including the tensor force and the central part of the one-pion exchange potential, the semi-realistic interaction is useful in studying the Z or N dependence of the nuclear shell structure. The magicity of N = 32, 40 and 58 in the neutron-rich Ca and Ni nuclei has been investigated, and the Z = 28 magicity in {sup 78}Ni has been argued. Significance of the tensor force in magnetic transitions is demonstrated by the M1 excitation of {sup 208}Pb.

  17. Multimode mean-field model for the quantum phase transition of a Bose-Einstein condensate in an optical resonator

    NASA Astrophysics Data System (ADS)

    Kónya, G.; Szirmai, G.; Domokos, P.

    2011-11-01

    We develop a mean-field model describing the Hamiltonian interaction of ultracold atoms and the optical field in a cavity. The Bose-Einstein condensate is properly defined by means of a grand-canonical approach. The model is efficient because only the relevant excitation modes are taken into account. However, the model goes beyond the two-mode subspace necessary to describe the self-organization quantum phase transition observed recently. We calculate all the second-order correlations of the coupled atom field and radiation field hybrid bosonic system, including the entanglement between the two types of fields.

  18. Evidence of Non-Mean-Field-Like Low-Temperature Behavior in the Edwards-Anderson Spin-Glass Model

    NASA Astrophysics Data System (ADS)

    Yucesoy, B.; Katzgraber, Helmut G.; Machta, J.

    2012-10-01

    The three-dimensional Edwards-Anderson and mean-field Sherrington-Kirkpatrick Ising spin glasses are studied via large-scale Monte Carlo simulations at low temperatures, deep within the spin-glass phase. Performing a careful statistical analysis of several thousand independent disorder realizations and using an observable that detects peaks in the overlap distribution, we show that the Sherrington-Kirkpatrick and Edwards-Anderson models have a distinctly different low-temperature behavior. The structure of the spin-glass overlap distribution for the Edwards-Anderson model suggests that its low-temperature phase has only a single pair of pure states.

  19. Solvent electronic polarization effects on a charge transfer excitation studied by the mean-field QM/MM method

    SciTech Connect

    Nakano, Hiroshi

    2015-12-31

    Electronic polarization effects of a medium can have a significant impact on a chemical reaction in condensed phases. We discuss the effects on the charge transfer excitation of a chromophore, N,N-dimethyl-4-nitroaniline, in various solvents using the mean-field QM/MM method with a polarizable force field. The results show that the explicit consideration of the solvent electronic polarization effects is important especially for a solvent with a low dielectric constant when we study the solvatochromism of the chromophore.

  20. Mean-field studies of time reversal breaking states in super-heavy nuclei with the Gogny force

    SciTech Connect

    Robledo, L. M.

    2015-10-15

    Recent progress on the description of time reversal breaking (odd mass and multi-quasiparticle excitation) states in super-heavy nuclei within a mean field framework and using several flavors of the Gogny interaction is reported. The study includes ground and excited states in selected odd mass isotopes of nobelium and mendelevium as well as high K isomeric states in {sup 254}No. These are two and four-quasiparticle excitations that are treated in the same self-consistent HFB plus blocking framework as the odd mass states.

  1. Mean-field studies of time reversal breaking states in super-heavy nuclei with the Gogny force

    NASA Astrophysics Data System (ADS)

    Robledo, L. M.

    2015-10-01

    Recent progress on the description of time reversal breaking (odd mass and multi-quasiparticle excitation) states in super-heavy nuclei within a mean field framework and using several flavors of the Gogny interaction is reported. The study includes ground and excited states in selected odd mass isotopes of nobelium and mendelevium as well as high K isomeric states in 254No. These are two and four-quasiparticle excitations that are treated in the same self-consistent HFB plus blocking framework as the odd mass states.

  2. Vlasov formalism for extended relativistic mean field models: The crust-core transition and the stellar matter equation of state

    NASA Astrophysics Data System (ADS)

    Pais, Helena; Providência, Constança

    2016-07-01

    The Vlasov formalism is extended to relativistic mean field hadron models with nonlinear terms up to fourth order and applied to the calculation of the crust-core transition density. The effect of the nonlinear ω ρ and σ ρ coupling terms on the crust-core transition density and pressure and on the macroscopic properties of some families of hadronic stars is investigated. For that purpose, six families of relativistic mean field models are considered. Within each family, the members differ in the symmetry energy behavior. For all the models, the dynamical spinodals are calculated, and the crust-core transition density and pressure and the neutron star mass-radius relations are obtained. The effect on the star radius of the inclusion of a pasta calculation in the inner crust is discussed. The set of six models that best satisfy terrestrial and observational constraints predicts a radius of 13.6 ±0.3 km and a crust thickness of 1.36 ±0.06 km for a 1.4 M⊙ star.

  3. Obtaining Arbitrary Prescribed Mean Field Dynamics for Recurrently Coupled Networks of Type-I Spiking Neurons with Analytically Determined Weights

    PubMed Central

    Nicola, Wilten; Tripp, Bryan; Scott, Matthew

    2016-01-01

    A fundamental question in computational neuroscience is how to connect a network of spiking neurons to produce desired macroscopic or mean field dynamics. One possible approach is through the Neural Engineering Framework (NEF). The NEF approach requires quantities called decoders which are solved through an optimization problem requiring large matrix inversion. Here, we show how a decoder can be obtained analytically for type I and certain type II firing rates as a function of the heterogeneity of its associated neuron. These decoders generate approximants for functions that converge to the desired function in mean-squared error like 1/N, where N is the number of neurons in the network. We refer to these decoders as scale-invariant decoders due to their structure. These decoders generate weights for a network of neurons through the NEF formula for weights. These weights force the spiking network to have arbitrary and prescribed mean field dynamics. The weights generated with scale-invariant decoders all lie on low dimensional hypersurfaces asymptotically. We demonstrate the applicability of these scale-invariant decoders and weight surfaces by constructing networks of spiking theta neurons that replicate the dynamics of various well known dynamical systems such as the neural integrator, Van der Pol system and the Lorenz system. As these decoders are analytically determined and non-unique, the weights are also analytically determined and non-unique. We discuss the implications for measured weights of neuronal networks. PMID:26973503

  4. Identifying residue–residue clashes in protein hybrids by using a second-order mean-field approach

    PubMed Central

    Moore, Gregory L.; Maranas, Costas D.

    2003-01-01

    In this article, a second-order mean-field-based approach is introduced for characterizing the complete set of residue–residue couplings consistent with a given protein structure. This information is subsequently used to classify protein hybrids with respect to their potential to be functional based on the presence/absence and severity of clashing residue–residue interactions. First, atomistic representations of both the native and denatured states are used to calculate rotamer–backbone, rotamer–intrinsic, and rotamer–rotamer conformational energies. Next, this complete conformational energy table is coupled with a second-order mean-field description to elucidate the probabilities of all possible rotamer–rotamer combinations in a minimum Helmholtz free-energy ensemble. Computational results for the dihydrofolate reductase family reveal correlation in substitution patterns between not only contacting but also distal second-order structural elements. Residue–residue clashes in hybrid proteins are quantified by contrasting the ensemble probabilities of protein hybrids against the ones of the original parental sequences. Good agreement with experimental data is demonstrated by superimposing these clashes against the functional crossover profiles of bidirectional incremental truncation libraries for Escherichia coli and human glycinamide ribonucleotide transformylases. PMID:12700353

  5. MEAN-FIELD SOLAR DYNAMO MODELS WITH A STRONG MERIDIONAL FLOW AT THE BOTTOM OF THE CONVECTION ZONE

    SciTech Connect

    Pipin, V. V.; Kosovichev, A. G.

    2011-09-01

    This paper presents a study of kinematic axisymmetric mean-field dynamo models for the case of meridional circulation with a deep-seated stagnation point and a strong return flow at the bottom of the convection zone. This kind of circulation follows from mean-field models of the angular momentum balance in the solar convection zone. The dynamo models include turbulent sources of the large-scale poloidal magnetic field production due to kinetic helicity and a combined effect due to the Coriolis force and large-scale electric current. In these models the toroidal magnetic field, which is responsible for sunspot production, is concentrated at the bottom of the convection zone and is transported to low-latitude regions by a meridional flow. The meridional component of the poloidal field is also concentrated at the bottom of the convection zone, while the radial component is concentrated in near-polar regions. We show that it is possible for this type of meridional circulation to construct kinematic dynamo models that resemble in some aspects the sunspot magnetic activity cycle. However, in the near-equatorial regions the phase relation between the toroidal and poloidal components disagrees with observations. We also show that the period of the magnetic cycle may not always monotonically decrease with the increase of the meridional flow speed. Thus, for further progress it is important to determine the structure of the meridional circulation, which is one of the critical properties, from helioseismology observations.

  6. Modeling MHD accretion-ejection: episodic ejections of jets triggered by a mean-field disk dynamo

    SciTech Connect

    Stepanovs, Deniss; Fendt, Christian; Sheikhnezami, Somayeh E-mail: fendt@mpia.de

    2014-11-20

    We present MHD simulations exploring the launching, acceleration, and collimation of jets and disk winds. The evolution of the disk structure is consistently taken into account. Extending our earlier studies, we now consider the self-generation of the magnetic field by an α{sup 2}Ω mean-field dynamo. The disk magnetization remains on a rather low level, which helps to evolve the simulations for T > 10, 000 dynamical time steps on a domain extending 1500 inner disk radii. We find the magnetic field of the inner disk to be similar to the commonly found open field structure, favoring magneto-centrifugal launching. The outer disk field is highly inclined and predominantly radial. Here, differential rotation induces a strong toroidal component, which plays a key role in outflow launching. These outflows from the outer disk are slower, denser, and less collimated. If the dynamo action is not quenched, magnetic flux is continuously generated, diffuses outward through the disk, and fills the entire disk. We have invented a toy model triggering a time-dependent mean-field dynamo. The duty cycles of this dynamo lead to episodic ejections on similar timescales. When the dynamo is suppressed as the magnetization falls below a critical value, the generation of the outflows and also accretion is inhibited. The general result is that we can steer episodic ejection and large-scale jet knots by a disk-intrinsic dynamo that is time-dependent and regenerates the jet-launching magnetic field.

  7. Gap junctions mediate large-scale Turing structures in a mean-field cortex driven by subcortical noise

    NASA Astrophysics Data System (ADS)

    Steyn-Ross, Moira L.; Steyn-Ross, D. A.; Wilson, M. T.; Sleigh, J. W.

    2007-07-01

    One of the grand puzzles in neuroscience is establishing the link between cognition and the disparate patterns of spontaneous and task-induced brain activity that can be measured clinically using a wide range of detection modalities such as scalp electrodes and imaging tomography. High-level brain function is not a single-neuron property, yet emerges as a cooperative phenomenon of multiply-interacting populations of neurons. Therefore a fruitful modeling approach is to picture the cerebral cortex as a continuum characterized by parameters that have been averaged over a small volume of cortical tissue. Such mean-field cortical models have been used to investigate gross patterns of brain behavior such as anesthesia, the cycles of natural sleep, memory and erasure in slow-wave sleep, and epilepsy. There is persuasive and accumulating evidence that direct gap-junction connections between inhibitory neurons promote synchronous oscillatory behavior both locally and across distances of some centimeters, but, to date, continuum models have ignored gap-junction connectivity. In this paper we employ simple mean-field arguments to derive an expression for D2 , the diffusive coupling strength arising from gap-junction connections between inhibitory neurons. Using recent neurophysiological measurements reported by Fukuda [J. Neurosci. 26, 3434 (2006)], we estimate an upper limit of D2≈0.6cm2 . We apply a linear stability analysis to a standard mean-field cortical model, augmented with gap-junction diffusion, and find this value for the diffusive coupling strength to be close to the critical value required to destabilize the homogeneous steady state. Computer simulations demonstrate that larger values of D2 cause the noise-driven model cortex to spontaneously crystalize into random mazelike Turing structures: centimeter-scale spatial patterns in which regions of high-firing activity are intermixed with regions of low-firing activity. These structures are consistent with the

  8. Approximate analytical solution for nuclear matter in a mean-field Walecka model and Coester line behavior

    SciTech Connect

    Delfino, A.; Silva, J.B.; Malheiro, M.

    2006-03-15

    We study nuclear matter, at the mean-field approximation, by considering as equal the values of the scalar and the vector density in the Walecka model, which is a very reasonable approximation up to the nuclear matter saturation density. It turns out that the model has an analytical solution for the scalar and vector couplings as functions only of the nuclear matter density and binding energy. The nuclear matter properties are very close to the original version of the model. This solution allows us to show that the correlation between the binding energy and the saturation density is Coester line like. The liquid-gas phase transition is also studied and the critical and flash temperatures are again very similar to the original ones.

  9. Quantum Switching at a Mean-Field Instability of a Bose-Einstein Condensate in an Optical Lattice

    SciTech Connect

    Shchesnovich, V. S.; Konotop, V. V.

    2009-02-06

    It is shown that bifurcation of the mean-field dynamics of a Bose-Einstein condensate can be related to the quantum phase transition of the original many-body system. As an example we explore the intraband tunneling in the two-dimensional optical lattice. Such a system allows for easy control by the lattice depth as well as for macroscopic visualization of the phase transition. The system manifests switching between two self-trapping states or from a self-trapping state to a superposition of the macroscopically populated self-trapping states with a steplike variation of the control parameter about the bifurcation point. We have also observed the magnification of the microscopic difference between the even and odd number of atoms to a macroscopically distinguishable dynamics of the system.

  10. Application of the relativistic mean-field mass model to the r-process and the influence of mass uncertainties

    SciTech Connect

    Sun, B.; Montes, F.; Geng, L. S.; Geissel, H.; Litvinov, Yu. A.; Meng, J.

    2008-08-15

    A new mass table calculated by the relativistic mean-field approach with the state-dependent BCS method for the pairing correlation is applied for the first time to study r-process nucleosynthesis. The solar r-process abundance is well reproduced within a waiting-point approximation approach. Using an exponential fitting procedure to find the required astrophysical conditions, the influence of mass uncertainty is investigated. The r-process calculations using the FRDM, ETFSI-Q, and HFB-13 mass tables have been used for that purpose. It is found that the nuclear physical uncertainty can significantly influence the deduced astrophysical conditions for the r-process site. In addition, the influence of the shell closure and shape transition have been examined in detail in the r-process simulations.

  11. Evidence of Non-Mean-Field-Like Low-Temperature Behavior in the Edwards-Anderson Spin-Glass Model

    NASA Astrophysics Data System (ADS)

    Yucesoy, Burcu; Katzgraber, Helmut G.; Machta, Jonathan

    2013-03-01

    The three and four-dimensional Edwards-Anderson and mean-field Sherrington-Kirkpatrick Ising spin glasses are studied via large-scale Monte Carlo simulations at low temperatures, deep within the spin-glass phase. Performing a careful statistical analysis of several thousand independent disorder realizations and using an observable that detects peaks in the overlap distribution, we show that the Sherrington-Kirkpatrick and Edwards-Anderson models have a distinctly different low-temperature behavior. The structure of the spin-glass overlap distribution for the Edwards-Anderson model suggests that its low-temperature phase has only a single pair of pure states. J. M. and B. Y. are supported in part by the NSF (Grant No. DMR-0907235 and DMR-1208046).

  12. Irreversible mean-field model of the critical behavior of charge-density waves below the threshold for sliding

    NASA Astrophysics Data System (ADS)

    Sornette, Didier

    1993-05-01

    A mean-field (MF) model of the critical behavior of charge-density waves below the threshold for sliding is proposed, which replaces the combined effect of the pinning force and of the forces exerted by the neighbors on a given particle n by an effective force threshold Xn. It allows one to rationalize the numerical results of Middleton and Fisher [Phys. Rev. Lett. 66 (1991) 92] on the divergence of the polarization and of the largest correlation length and of Pla and Nori [Phys. Rev. Lett. 67 (1991) 919] on the distribution D( d) of sliding bursts of size d, measured in narrow intervals of driving fields E at a finite distance below the threshold Ec.

  13. Periodic ordering of clusters and stripes in a two-dimensional lattice model. I. Ground state, mean-field phase diagram and structure of the disordered phases

    NASA Astrophysics Data System (ADS)

    PÈ©kalski, J.; Ciach, A.; Almarza, N. G.

    2014-03-01

    The short-range attraction and long-range repulsion between nanoparticles or macromolecules can lead to spontaneous pattern formation on solid surfaces, fluid interfaces, or membranes. In order to study the self-assembly in such systems we consider a triangular lattice model with nearest-neighbor attraction and third-neighbor repulsion. At the ground state of the model (T = 0) the lattice is empty for small values of the chemical potential μ, and fully occupied for large μ. For intermediate values of μ periodically distributed clusters, bubbles, or stripes appear if the repulsion is sufficiently strong. At the phase coexistences between the vacuum and the ordered cluster phases and between the cluster and the lamellar (stripe) phases the entropy per site does not vanish. As a consequence of this ground state degeneracy, disordered fluid phases consisting of clusters or stripes are stable, and the surface tension vanishes. For T > 0 we construct the phase diagram in the mean-field approximation and calculate the correlation function in the self-consistent Brazovskii-type field theory.

  14. Circulating current in 1D Hubbard rings with long-range hopping: Comparison between exact diagonalization method and mean-field approach

    NASA Astrophysics Data System (ADS)

    Saha, Madhumita; Maiti, Santanu K.

    2016-10-01

    The interplay between Hubbard interaction, long-range hopping and disorder on persistent current in a mesoscopic one-dimensional conducting ring threaded by a magnetic flux ϕ is analyzed in detail. Two different methods, exact numerical diagonalization and Hartree-Fock mean field theory, are used to obtain numerical results from the many-body Hamiltonian. The current in a disordered ring gets enhanced as a result of electronic correlation and it becomes more significant when contributions from higher order hoppings, even if they are too small compared to nearest-neighbor hopping, are taken into account. Certainly this can be an interesting observation in the era of long-standing controversy between theoretical and experimental results of persistent current amplitudes. Along with these we also find half-flux quantum periodic current for some typical electron fillings and kink-like structures at different magnetic fluxes apart from ϕ = 0 and ±ϕ0 / 2. The scaling behavior of current is also discussed for the sake of completeness of our present analysis.

  15. Predictive beyond-mean-field rate equations for multisite lattice–gas models of catalytic surface reactions: CO oxidation on Pd(100)

    DOE PAGES

    Liu, Da -Jiang; Zahariev, Federico; Gordon, Mark S.; ...

    2016-11-29

    Tailored multisite lattice–gas (msLG) models are developed for CO oxidation on Pd(100) at low-pressures. These models include multiple adsorption site types and superlattice adlayer ordering due to short-range exclusion for highly mobile reactant adspecies. However, they are simplified to neglect longer-range weaker adspecies interactions, so that the key energetic parameters are the CO desorption barrier and the reaction barrier. We discuss existing density functional theory results for these energies and present additional analysis for CO adsorption. After also including an appropriate nontrivial specification of the dynamics of adsorption onto mixed reactant adlayers, we develop rate equations for the reaction kinetics.more » Our formulation goes beyond traditional mean-field (MF) Langmuirian treatments by accounting for multiple adsorption sites and for the strong spatial correlations associated with superlattice ordering. Specifically, we utilize factorization approximations based on appropriate site motifs, and also Padé resummation of exact low-coverage expansions for sticking coefficients. Our beyond-MF rate equations are successful in accurately predicting key aspects of reactive steady-state behavior, and thus expand the utility of rate equation formulations in surface chemistry. This is confirmed by comparison with precise kinetic Monte Carlo simulation results. Furthermore, we not only assess bistability and criticality observed for CO oxidation but also find more complex multistability associated with symmetry-breaking transitions in high-coverage CO adlayers.« less

  16. Predictive beyond-mean-field rate equations for multisite lattice–gas models of catalytic surface reactions: CO oxidation on Pd(100)

    SciTech Connect

    Liu, Da -Jiang; Zahariev, Federico; Gordon, Mark S.; Evans, James W.

    2016-11-29

    Tailored multisite lattice–gas (msLG) models are developed for CO oxidation on Pd(100) at low-pressures. These models include multiple adsorption site types and superlattice adlayer ordering due to short-range exclusion for highly mobile reactant adspecies. However, they are simplified to neglect longer-range weaker adspecies interactions, so that the key energetic parameters are the CO desorption barrier and the reaction barrier. We discuss existing density functional theory results for these energies and present additional analysis for CO adsorption. After also including an appropriate nontrivial specification of the dynamics of adsorption onto mixed reactant adlayers, we develop rate equations for the reaction kinetics. Our formulation goes beyond traditional mean-field (MF) Langmuirian treatments by accounting for multiple adsorption sites and for the strong spatial correlations associated with superlattice ordering. Specifically, we utilize factorization approximations based on appropriate site motifs, and also Padé resummation of exact low-coverage expansions for sticking coefficients. Our beyond-MF rate equations are successful in accurately predicting key aspects of reactive steady-state behavior, and thus expand the utility of rate equation formulations in surface chemistry. This is confirmed by comparison with precise kinetic Monte Carlo simulation results. Furthermore, we not only assess bistability and criticality observed for CO oxidation but also find more complex multistability associated with symmetry-breaking transitions in high-coverage CO adlayers.

  17. Self-consistent mean-field model based on molecular dynamics: Application to lipid-cholesterol bilayers

    NASA Astrophysics Data System (ADS)

    Khelashvili, George A.; Pandit, Sagar A.; Scott, H. L.

    2005-07-01

    We have developed a dynamic self-consistent mean-field model, based on molecular-dynamics simulations, to study lipid-cholesterol bilayers. In this model the lipid bilayer is represented as a two-dimensional lattice field in the lipid chain order parameters, while cholesterol molecules are represented by hard rods. The motion of rods in the system is continuous and is not confined to lattice cells. The statistical mechanics of chain ordering is described by a mean field derived from an extension of a model due to Marčelja. The time evolution of the system is governed by stochastic equations. The ensemble of chain configurations required in partition sums, and the energies of interaction, are taken from atomistic level molecular-dynamics simulations of lipid bilayers. The model allows us to simulate systems 500nm in lateral size for 20μs time scales, or greater. We have applied the model to dipalmitoyl-phosphatidylcholine-cholesterol (Chol) bilayers at 50°C for Chol concentrations between 2% and 33%. At low concentrations of Chol (2%-4%), the model predicts the formation of isolated clusters of Chol surrounded by relatively ordered lipid chains, randomly dispersed in the disordered bilayer. With increasing Chol composition, regions of Chol-induced order begin to overlap. Starting from about 11% Chol this ordering effect becomes system wide and regions unaffected by Chol are no longer detectable. From the analysis of properties of the model we conclude that the change in lipid chain order with increasing Chol concentration is continuous over the 20-μs scale of the simulations. We also conclude that at 50°C no large-scale Chol-rich and Chol-depleted coexisting phase-separated regions form at any concentration. At no point in any of the simulations do we observe a higher degree of lateral organization, such as Chol-based superlattice structures.

  18. Dynamical transitions in large systems of mean field-coupled Landau-Stuart oscillators: Extensive chaos and cluster states

    SciTech Connect

    Ku, Wai Lim; Girvan, Michelle; Ott, Edward

    2015-12-15

    In this paper, we study dynamical systems in which a large number N of identical Landau-Stuart oscillators are globally coupled via a mean-field. Previously, it has been observed that this type of system can exhibit a variety of different dynamical behaviors. These behaviors include time periodic cluster states in which each oscillator is in one of a small number of groups for which all oscillators in each group have the same state which is different from group to group, as well as a behavior in which all oscillators have different states and the macroscopic dynamics of the mean field is chaotic. We argue that this second type of behavior is “extensive” in the sense that the chaotic attractor in the full phase space of the system has a fractal dimension that scales linearly with N and that the number of positive Lyapunov exponents of the attractor also scales linearly with N. An important focus of this paper is the transition between cluster states and extensive chaos as the system is subjected to slow adiabatic parameter change. We observe discontinuous transitions between the cluster states (which correspond to low dimensional dynamics) and the extensively chaotic states. Furthermore, examining the cluster state, as the system approaches the discontinuous transition to extensive chaos, we find that the oscillator population distribution between the clusters continually evolves so that the cluster state is always marginally stable. This behavior is used to reveal the mechanism of the discontinuous transition. We also apply the Kaplan-Yorke formula to study the fractal structure of the extensively chaotic attractors.

  19. Majority-vote model on spatially embedded networks: Crossover from mean-field to Ising universality classes

    NASA Astrophysics Data System (ADS)

    Sampaio Filho, C. I. N.; dos Santos, T. B.; Moreira, A. A.; Moreira, F. G. B.; Andrade, J. S.

    2016-05-01

    We study through Monte Carlo simulations and finite-size scaling analysis the nonequilibrium phase transitions of the majority-vote model taking place on spatially embedded networks. These structures are built from an underlying regular lattice over which directed long-range connections are randomly added according to the probability Pi j˜r-α , where ri j is the Manhattan distance between nodes i and j , and the exponent α is a controlling parameter [J. M. Kleinberg, Nature (London) 406, 845 (2000), 10.1038/35022643]. Our results show that the collective behavior of this system exhibits a continuous order-disorder phase transition at a critical parameter, which is a decreasing function of the exponent α . Precisely, considering the scaling functions and the critical exponents calculated, we conclude that the system undergoes a crossover among distinct universality classes. For α ≤3 the critical behavior is described by mean-field exponents, while for α ≥4 it belongs to the Ising universality class. Finally, in the region where the crossover occurs, 3 <α <4 , the critical exponents are dependent on α .

  20. Ultracold bosons with cavity-mediated long-range interactions: A local mean-field analysis of the phase diagram

    NASA Astrophysics Data System (ADS)

    Niederle, Astrid E.; Morigi, Giovanna; Rieger, Heiko

    2016-09-01

    Ultracold bosonic atoms in optical lattices self-organize into a variety of structural and quantum phases when placed into a single-mode cavity and pumped by a laser. Cavity optomechanical effects induce an atom density modulation at the cavity-mode wavelength that competes with the optical lattice arrangement. Simultaneously short-range interactions via particle hopping promote superfluid order such that a variety of structural and quantum coherent phases can occur. We analyze the emerging phase diagram in two dimensions by means of an extended Bose-Hubbard model using a local mean-field approach combined with a superfluid cluster analysis. For commensurate ratios of the cavity and external lattice wavelengths, the Mott insulator-superfluid transition is modified by the appearance of charge density wave and supersolid phases, at which the atomic density supports the buildup of a cavity field. For incommensurate ratios, the optomechanical forces induce the formation of Bose-glass and superglass phases, namely, nonsuperfluid and superfluid phases, respectively, displaying quasiperiodic density modulations, which in addition can exhibit structural and superfluid stripe formation. The onset of such structures is constrained by the on-site interaction and is favorable at fractional densities. Experimental observables are identified and discussed.

  1. Core-Level Photoemission Study for Undoped Cuprates with a Dynamical Mean-Field Approach Considering Realistic Crystal Structure

    NASA Astrophysics Data System (ADS)

    Hariki, Atsushi; Ichinozuka, Yoshiyuki; Uozumi, Takayuki

    2013-02-01

    The 2p3/2 main-line shape of Cu 2p X-ray photoemission spectra for undoped cuprates is studied by means of a dp model within a dynamical mean-field approximation. In order to consider the realistic CuO2 planar structure, we developed a framework combining an impurity Anderson model with a tight-binding calculation for the CuO2 plane. A characteristic partial density of states is obtained for a diagonally ordered antiferromagnetic phase. The calculated 2p3/2 main line shows a broad-band feature formed by screened final states with a hole in the O 2p band and by those accompanied by Zhang--Rice singlet formation. The strong relevance is emphasized between spectral shape and hybridization function which is self-consistently determined within the present framework. Qualitative agreement is also found with hard X-ray photoemission spectra observed for La2CuO4 and Nd2CuO4.

  2. Growth-induced polarity formation in solid solutions of organic molecules: Markov mean-field model and Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Wüst, Thomas; Hulliger, Jürg

    2005-02-01

    A layer-by-layer growth model is presented for the theoretical investigation of growth-induced polarity formation in solid solutions H1-XGX of polar (H) and nonpolar (G) molecules (X: molar fraction of G molecules in the solid, 0mean-field description and Monte Carlo simulations. In solid solutions, polarity results from a combined effect of orientational selectivity by H and G molecules with respect to the alignment of the dipoles of H molecules and miscibility between the two components. Even though both native structures (H,G) may be centrosymmetric, polarity can arise just from the admixture of G molecules in the H crystal upon growth. An overview of possible phenomena is given by random selection of molecular interaction energies within an assumed but realistic energy range. The analytical approach describes sufficiently basic phenomena and is in good agreement with simulations. High probabilities for significant vectorial alignment of H molecules are found for low (X⩽0.2) and high (X⩾0.8) fractions of G molecules, respectively, as well as for ordered HG compounds (X=0.5).

  3. Periodic mean-field solutions and the spectra of discrete bosonic fields: Trace formula for Bose-Hubbard models.

    PubMed

    Engl, Thomas; Urbina, Juan Diego; Richter, Klaus

    2015-12-01

    We consider the many-body spectra of interacting bosonic quantum fields on a lattice in the semiclassical limit of large particle number N. We show that the many-body density of states can be expressed as a coherent sum over oscillating long-wavelength contributions given by periodic, nonperturbative solutions of the, typically nonlinear, wave equation of the classical (mean-field) limit. To this end, we construct the semiclassical approximation for both the smooth and oscillatory parts of the many-body density of states in terms of a trace formula starting from the exact path integral form of the propagator between many-body quadrature states. We therefore avoid the use of a complexified classical limit characteristic of the coherent state representation. While quantum effects such as vacuum fluctuations and gauge invariance are exactly accounted for, our semiclassical approach captures quantum interference and therefore is valid well beyond the Ehrenfest time where naive quantum-classical correspondence breaks down. Remarkably, due to a special feature of harmonic systems with incommensurable frequencies, our formulas are generically valid also in the free-field case of noninteracting bosons.

  4. Large pseudocounts and L2-norm penalties are necessary for the mean-field inference of Ising and Potts models

    NASA Astrophysics Data System (ADS)

    Barton, J. P.; Cocco, S.; De Leonardis, E.; Monasson, R.

    2014-07-01

    The mean-field (MF) approximation offers a simple, fast way to infer direct interactions between elements in a network of correlated variables, a common, computationally challenging problem with practical applications in fields ranging from physics and biology to the social sciences. However, MF methods achieve their best performance with strong regularization, well beyond Bayesian expectations, an empirical fact that is poorly understood. In this work, we study the influence of pseudocount and L2-norm regularization schemes on the quality of inferred Ising or Potts interaction networks from correlation data within the MF approximation. We argue, based on the analysis of small systems, that the optimal value of the regularization strength remains finite even if the sampling noise tends to zero, in order to correct for systematic biases introduced by the MF approximation. Our claim is corroborated by extensive numerical studies of diverse model systems and by the analytical study of the m-component spin model for large but finite m. Additionally, we find that pseudocount regularization is robust against sampling noise and often outperforms L2-norm regularization, particularly when the underlying network of interactions is strongly heterogeneous. Much better performances are generally obtained for the Ising model than for the Potts model, for which only couplings incoming onto medium-frequency symbols are reliably inferred.

  5. Majority-vote model on spatially embedded networks: Crossover from mean-field to Ising universality classes.

    PubMed

    Sampaio Filho, C I N; Dos Santos, T B; Moreira, A A; Moreira, F G B; Andrade, J S

    2016-05-01

    We study through Monte Carlo simulations and finite-size scaling analysis the nonequilibrium phase transitions of the majority-vote model taking place on spatially embedded networks. These structures are built from an underlying regular lattice over which directed long-range connections are randomly added according to the probability P_{ij}∼r^{-α}, where r_{ij} is the Manhattan distance between nodes i and j, and the exponent α is a controlling parameter [J. M. Kleinberg, Nature (London) 406, 845 (2000)NATUAS0028-083610.1038/35022643]. Our results show that the collective behavior of this system exhibits a continuous order-disorder phase transition at a critical parameter, which is a decreasing function of the exponent α. Precisely, considering the scaling functions and the critical exponents calculated, we conclude that the system undergoes a crossover among distinct universality classes. For α≤3 the critical behavior is described by mean-field exponents, while for α≥4 it belongs to the Ising universality class. Finally, in the region where the crossover occurs, 3<α<4, the critical exponents are dependent on α.

  6. Static quadrupolar susceptibility for a Blume-Emery-Griffiths model based on the mean-field approximation

    NASA Astrophysics Data System (ADS)

    Pawlak, A.; Gülpınar, G.; Erdem, R.; Ağartıoğlu, M.

    2015-12-01

    The expressions for the dipolar and quadrupolar susceptibilities are obtained within the mean-field approximation in the Blume-Emery-Griffiths model. Temperature as well as crystal field dependences of the susceptibilities are investigated for two different phase diagram topologies which take place for K/J=3 and K/J=5.0.Their behavior near the second and first order transition points as well as multi-critical points such as tricritical, triple and critical endpoint is presented. It is found that in addition to the jumps connected with the phase transitions there are broad peaks in the quadrupolar susceptibility. It is indicated that these broad peaks lie on a prolongation of the first-order line from a triple point to a critical point ending the line of first-order transitions between two distinct paramagnetic phases. It is argued that the broad peaks are a reminiscence of very strong quadrupolar fluctuations at the critical point. The results reveal the fact that near ferromagnetic-paramagnetic phase transitions the quadrupolar susceptibility generally shows a jump whereas near the phase transition between two distinct paramagnetic phases it is an edge-like.

  7. Atomic detail brownian dynamics simulations of concentrated protein solutions with a mean field treatment of hydrodynamic interactions.

    SciTech Connect

    Mereghetti, Paolo; Wade, Rebecca C.

    2012-07-26

    High macromolecular concentrations are a distinguishing feature of living organisms. Understanding how the high concentration of solutes affects the dynamic properties of biological macromolecules is fundamental for the comprehension of biological processes in living systems. In this paper, we describe the implementation of mean field models of translational and rotational hydrodynamic interactions into an atomically detailed many-protein brownian dynamics simulation method. Concentrated solutions (30-40% volume fraction) of myoglobin, hemoglobin A, and sickle cell hemoglobin S were simulated, and static structure factors, oligomer formation, and translational and rotational self-diffusion coefficients were computed. Good agreement of computed properties with available experimental data was obtained. The results show the importance of both solvent mediated interactions and weak protein-protein interactions for accurately describing the dynamics and the association properties of concentrated protein solutions. Specifically, they show a qualitative difference in the translational and rotational dynamics of the systems studied. Although the translational diffusion coefficient is controlled by macromolecular shape and hydrodynamic interactions, the rotational diffusion coefficient is affected by macromolecular shape, direct intermolecular interactions, and both translational and rotational hydrodynamic interactions.

  8. An incremental-secant mean-field homogenization method with second statistical moments for elasto-plastic composite materials

    NASA Astrophysics Data System (ADS)

    Wu, L.; Doghri, I.; Noels, L.

    2015-10-01

    In this paper, the incremental-secant mean-field homogenization (MFH) scheme recently developed by the authors is extended to account for second statistical moments. The incremental-secant MFH method possesses several advantages compared to other MFH methods. Indeed the method can handle non-proportional and non-monotonic loadings, while the instantaneous stiffness operators used in the Eshelby tensor are naturally isotropic, avoiding the isotropization approximation required by the affine and incremental-tangent methods. Moreover, the incremental-secant MFH formalism was shown to be able to account for material softening when extended to include a non-local damage model in the matrix phase, thus enabling an accurate simulation of the onset and evolution of damage across the scales. In this work, by accounting for a second statistical moment estimation of the current yield stress in the composite phases, the plastic flow computation allows capturing with a better accuracy the plastic yield in the composite material phases, which in turn improves the accuracy of the predictions, mainly in the case of short fibre composite materials. The incremental-secant MFH can thus be used to model a wide variety of composite material systems with a good accuracy.

  9. Mean-field calculation of critical parameters and log-periodic characterization of an aperiodic-modulated model.

    PubMed

    Oliveira, T P; Branco, N S

    2012-01-01

    We employ a mean-field approximation to study the Ising model with aperiodic modulation of its interactions in one spatial direction. Two different values for the exchange constant, J(A) and J(B), are present, according to the Fibonacci sequence. We calculate the pseudocritical temperatures for finite systems and extrapolate them to the thermodynamic limit. We explicitly obtain the exponents β, δ, and γ and, from the usual scaling relations for anisotropic models at the upper critical dimension (assumed to be 4 for the model we treat), we calculate α, ν, ν(∥), η, and η(∥). Within the framework of a renormalization-group approach, the Fibonacci sequence is a marginal one and we obtain exponents that depend on the ratio r≡J(B)/J(A), as expected; however, the scaling relation γ=β(δ-1) is obeyed for all values of r we studied. We characterize some thermodynamic functions as log-periodic functions of their arguments, as expected for aperiodic-modulated models, and obtain precise values for the exponents from this characterization.

  10. Multiple ionization of neon atoms in collisions with bare and dressed ions: A mean-field description considering target response

    NASA Astrophysics Data System (ADS)

    Schenk, Gerald; Kirchner, Tom

    2015-05-01

    We investigate projectile-charge-state-differential electron removal from neon atoms by impact of He2+, Li3+, B2+, and C3+ ions at intermediate projectile energies (25 keV/u to 1 MeV/u ). The many-electron problem is described with an independent electron model in which active electrons at both collision centers are propagated in a common mean-field potential. Response to electron removal is taken into account in terms of a time-dependent screening potential, and a Slater-determinant-based method is used for the final-state analysis. Total cross sections for net recoil ion production, multiple ionization, and capture channels are mostly in good agreement with published experimental data. Results from equicharged bare and dressed ions are compared and the net recoil ion production cross section is broken down into contributions associated with different final projectile charge states in order to shed light on the role of the projectile electrons.

  11. Study of high-energy heavy-ion collisions in a relativistic BUU approach with momentum-dependent mean fields

    NASA Astrophysics Data System (ADS)

    Tomoyuki, Maruyama; Wolfgang, Cassing; Ulrich, Mosel; Stefan, Teis; Klaus, Weber

    1994-06-01

    We introduce momentum-dependent scalar and vector fields into the Lorentz covariant relativistic BUU (RBUU) approach employing a polynomial ansatz for the relativistic nucleon-nucleon interaction. The momentum-dependent parametrizations are shown to be valid up to about 1 GeV/u for the empirical proton-nucleus optical potential. We perform numerical simulations for heavy-ion collisions within the RBUU approach adopting momentum-dependent and momentum-independent mean fields and calculate the transverse flow in and perpendicular to the reaction plane, the directivity distribution as well as subthreshold K +-production. By means of these observables we discuss the particular role of the momentum-dependent forces and their implications on the nuclear equation of state. We find that only a momentum-dependent parameter set can explain the experimental data on the transverse flow in the reaction plane from 150-1000 MeV/u and the differential K +-production cross sections at 1 GeV/u at the same time.

  12. Mean-field behavior as a result of noisy local dynamics in self-organized criticality: Neuroscience implications

    NASA Astrophysics Data System (ADS)

    Moosavi, S. Amin; Montakhab, Afshin

    2014-05-01

    Motivated by recent experiments in neuroscience which indicate that neuronal avalanches exhibit scale invariant behavior similar to self-organized critical systems, we study the role of noisy (nonconservative) local dynamics on the critical behavior of a sandpile model which can be taken to mimic the dynamics of neuronal avalanches. We find that despite the fact that noise breaks the strict local conservation required to attain criticality, our system exhibits true criticality for a wide range of noise in various dimensions, given that conservation is respected on the average. Although the system remains critical, exhibiting finite-size scaling, the value of critical exponents change depending on the intensity of local noise. Interestingly, for a sufficiently strong noise level, the critical exponents approach and saturate at their mean-field values, consistent with empirical measurements of neuronal avalanches. This is confirmed for both two and three dimensional models. However, the addition of noise does not affect the exponents at the upper critical dimension (D =4). In addition to an extensive finite-size scaling analysis of our systems, we also employ a useful time-series analysis method to establish true criticality of noisy systems. Finally, we discuss the implications of our work in neuroscience as well as some implications for the general phenomena of criticality in nonequilibrium systems.

  13. Stochastic multi-scale models of competition within heterogeneous cellular populations: Simulation methods and mean-field analysis.

    PubMed

    Cruz, Roberto de la; Guerrero, Pilar; Spill, Fabian; Alarcón, Tomás

    2016-10-21

    We propose a modelling framework to analyse the stochastic behaviour of heterogeneous, multi-scale cellular populations. We illustrate our methodology with a particular example in which we study a population with an oxygen-regulated proliferation rate. Our formulation is based on an age-dependent stochastic process. Cells within the population are characterised by their age (i.e. time elapsed since they were born). The age-dependent (oxygen-regulated) birth rate is given by a stochastic model of oxygen-dependent cell cycle progression. Once the birth rate is determined, we formulate an age-dependent birth-and-death process, which dictates the time evolution of the cell population. The population is under a feedback loop which controls its steady state size (carrying capacity): cells consume oxygen which in turn fuels cell proliferation. We show that our stochastic model of cell cycle progression allows for heterogeneity within the cell population induced by stochastic effects. Such heterogeneous behaviour is reflected in variations in the proliferation rate. Within this set-up, we have established three main results. First, we have shown that the age to the G1/S transition, which essentially determines the birth rate, exhibits a remarkably simple scaling behaviour. Besides the fact that this simple behaviour emerges from a rather complex model, this allows for a huge simplification of our numerical methodology. A further result is the observation that heterogeneous populations undergo an internal process of quasi-neutral competition. Finally, we investigated the effects of cell-cycle-phase dependent therapies (such as radiation therapy) on heterogeneous populations. In particular, we have studied the case in which the population contains a quiescent sub-population. Our mean-field analysis and numerical simulations confirm that, if the survival fraction of the therapy is too high, rescue of the quiescent population occurs. This gives rise to emergence of resistance

  14. Primitive-path statistics of entangled polymers: mapping multi-chain simulations onto single-chain mean-field models

    NASA Astrophysics Data System (ADS)

    Steenbakkers, Rudi J. A.; Tzoumanekas, Christos; Li, Ying; Liu, Wing Kam; Kröger, Martin; Schieber, Jay D.

    2014-01-01

    We present a method to map the full equilibrium distribution of the primitive-path (PP) length, obtained from multi-chain simulations of polymer melts, onto a single-chain mean-field ‘target’ model. Most previous works used the Doi-Edwards tube model as a target. However, the average number of monomers per PP segment, obtained from multi-chain PP networks, has consistently shown a discrepancy of a factor of two with respect to tube-model estimates. Part of the problem is that the tube model neglects fluctuations in the lengths of PP segments, the number of entanglements per chain and the distribution of monomers among PP segments, while all these fluctuations are observed in multi-chain simulations. Here we use a recently proposed slip-link model, which includes fluctuations in all these variables as well as in the spatial positions of the entanglements. This turns out to be essential to obtain qualitative and quantitative agreement with the equilibrium PP-length distribution obtained from multi-chain simulations. By fitting this distribution, we are able to determine two of the three parameters of the model, which govern its equilibrium properties. This mapping is executed for four different linear polymers and for different molecular weights. The two parameters are found to depend on chemistry, but not on molecular weight. The model predicts a constant plateau modulus minus a correction inversely proportional to molecular weight. The value for well-entangled chains, with the parameters determined ab initio, lies in the range of experimental data for the materials investigated.

  15. Time-dependent mean-field determination of the excitation energy in transfer reactions: Application to the reaction 238U on 12C at 6.14 MeV/nucleon

    NASA Astrophysics Data System (ADS)

    Scamps, G.; Rodríguez-Tajes, C.; Lacroix, D.; Farget, F.

    2017-02-01

    The internal excitation of nuclei after multinucleon transfer is estimated by using the time-dependent mean-field theory. Transfer probabilities for each channel as well as the energy loss after reseparation are calculated. By combining these two pieces of information, we show that the excitation energy distribution of the transfer fragments can be obtained separately for the different transfer channels. The method is applied to the reaction involving a 238U beam on a 12C target, which has recently been measured at GANIL. It is shown that the excitation energy calculated with the microscopic theory compares well with the experimental observation, provided that the competition with fusion is properly taken into account. The reliability of the excitation energy is further confirmed by the comparison with the phenomenological heavy-ion phase-space model at higher center-of-mass energies.

  16. Limiting factors of normal-state conductivity in superconducting MgB2: an application of mean-field theory for a site percolation problem

    NASA Astrophysics Data System (ADS)

    Yamamoto, Akiyasu; Shimoyama, Jun-ichi; Kishio, Kohji; Matsushita, Teruo

    2007-07-01

    Normal-state conductivity in polycrystalline MgB2 bulk samples having a systematically varied packing factor was studied. The packing factor dependence of phonon term resistivity Δρ(T) = ρ(T)-ρ0 was found to be well explained by the three-dimensional site percolation model. The low packing density of the samples and the wet impurity phases at grain boundaries are suggested to be the main causes of poor electrical connectivity in MgB2. Our model enables quantitative evaluations of the intrinsic resistivity inside the grains, the fraction of the active grains that can carry current and the anisotropy of the grains in polycrystalline samples. The model predicts that the anomaly suppressed connectivity in rather weak-link-free MgB2 can be understood under a scenario of a percolation problem.

  17. Derivation and analysis of an ordinary differential equation mean-field model for studying clinically recorded epilepsy dynamics.

    PubMed

    Marten, Frank; Rodrigues, Serafim; Suffczynski, Piotr; Richardson, Mark P; Terry, John R

    2009-02-01

    In this paper we describe how an ordinary differential equation model of corticothalamic interactions may be obtained from a more general system of delay differential equations. We demonstrate that transitions to epileptic dynamics via changes in system parameters are qualitatively the same as in the original model with delay, as well as demonstrating that the onset of epileptic activity may arise due to regions of bistability. Hence, the model presents in one unique framework, two competing theories for the genesis of epileptiform activity. Similarities between model transitions and clinical data are presented and we argue that statistics obtained from, and a parameter estimation of this model may be a potential means of classifying and predicting the onset and offset of seizure activity.

  18. Relativistic mean-field study of the properties of Z=117 nuclei and the decay chains of the {sup 293,294}117 isotopes

    SciTech Connect

    Bhuyan, M.; Patra, S. K.; Gupta, Raj K.

    2011-07-15

    We have calculated the binding energy, root-mean-square radius, and quadrupole deformation parameter for the recently synthesized superheavy element Z=117, using the axially deformed relativistic mean-field (RMF) model. The calculation is extended to various isotopes of the Z=117 element, starting from A=286 till A=310. We predict almost spherical structures in the ground state for almost all the isotopes. A shape transition appears at about A=292 from a prolate to an oblate shape structure of the Z=117 nucleus in our mean-field approach. The most stable isotope (largest binding energy per nucleon) is found to be the {sup 288}117 nucleus. Also, the Q{sub {alpha}} values and the half-life T{sub 1/2}{sup {alpha}} for the {alpha}-decay chains of {sup 293}117 and {sup 294}117 are calculated, supporting the magic numbers at N=172 and/or 184.

  19. Rotating Bose-Einstein condensates with a finite number of atoms confined in a ring potential: Spontaneous symmetry breaking beyond the mean-field approximation

    NASA Astrophysics Data System (ADS)

    Roussou, A.; Smyrnakis, J.; Magiropoulos, M.; Efremidis, Nikolaos K.; Kavoulakis, G. M.

    2017-03-01

    Motivated by recent experiments on Bose-Einstein condensed atoms which rotate in annular and/or toroidal traps, we study the effect of the finiteness of the atom number N on the states of lowest energy for a fixed expectation value of the angular momentum, under periodic boundary conditions. To attack this problem, we develop a general strategy, considering a linear superposition of the eigenstates of the many-body Hamiltonian, with amplitudes that we extract from the mean-field approximation. This many-body state breaks the symmetry of the Hamiltonian; it has the same energy to leading order in N as the mean-field state and the corresponding eigenstate of the Hamiltonian, however, it has a lower energy to subleading order in N and thus it is energetically favorable.

  20. Isotropic wave turbulence with simplified kernels: Existence, uniqueness, and mean-field limit for a class of instantaneous coagulation-fragmentation processes

    NASA Astrophysics Data System (ADS)

    Merino-Aceituno, Sara

    2016-12-01

    The isotropic 4-wave kinetic equation is considered in its weak formulation using model (simplified) homogeneous kernels. Existence and uniqueness of solutions is proven in a particular setting where the kernels have a rate of growth at most linear. We also consider finite stochastic particle systems undergoing instantaneous coagulation-fragmentation phenomena and give conditions in which this system approximates the solution of the equation (mean-field limit).

  1. Decoupling electrons and nuclei without the Born-Oppenheimer approximation: The electron-nucleus mean-field configuration-interaction method

    NASA Astrophysics Data System (ADS)

    Cassam-Chenaï, Patrick; Suo, Bingbing; Liu, Wenjian

    2015-07-01

    We introduce the electron-nucleus mean-field configuration-interaction (EN-MFCI) approach. It consists in building an effective Hamiltonian for the electrons taking into account a mean field due to the nuclear motion and, conversely, in building an effective Hamiltonian for the nuclear motion taking into account a mean field due to the electrons. The eigenvalue problems of these Hamiltonians are solved in basis sets giving partial eigensolutions for the active degrees of freedom (DOF's), that is to say, either for the electrons or for nuclear motion. The process can be iterated or electron and nuclear motion DOF's can be contracted in a CI calculation. In the EN-MFCI reduction of the molecular Schrödinger equation to an electronic and a nuclear problem, the electronic wave functions do not depend parametrically upon nuclear coordinates. So, it is different from traditional adiabatic methods. Furthermore, when contracting electronic and nuclear functions, a direct product basis set is built in contrast with methods which treat electrons and nuclei on the same footing, but where electron-nucleus explicitly correlated coordinates are used. Also, the EN-MFCI approach can make use of the partition of molecular DOF's into translational, rotational, and internal DOF's. As a result, there is no need to eliminate translations and rotations from the calculation, and the convergence of vibrational levels is facilitated by the use of appropriate internal coordinates. The method is illustrated on diatomic molecules.

  2. Bond Operator Mean Field Approach to the Magnetization Plateaux in Quantum Antiferromagnets —Application to the S=1/2 Coupled Dimerized Zigzag Heisenberg Chains—

    NASA Astrophysics Data System (ADS)

    Hida, Kazuo; Shiino, Masaru; Chen, Wei

    2004-06-01

    The magnetization plateaux in two dimensionally coupled S=1/2 dimerized zigzag Heisenberg chains are investigated by means of the bond operator mean field approximation. In the absence of the interchain coupling, this model is known to have a plateau at half of the saturation magnetization accompanied by the spontaneous translational symmetry breakdown. The parameter regime in which the plateau appears is reproduced well within the present approximation. In the presence of the interchain coupling, this plateau is shown to be suppressed. This result is also supported by the numerical diagonalization calculation.

  3. Large Deviations for Finite State Markov Jump Processes with Mean-Field Interaction Via the Comparison Principle for an Associated Hamilton-Jacobi Equation

    NASA Astrophysics Data System (ADS)

    Kraaij, Richard

    2016-07-01

    We prove the large deviation principle (LDP) for the trajectory of a broad class of finite state mean-field interacting Markov jump processes via a general analytic approach based on viscosity solutions. Examples include generalized Ehrenfest models as well as Curie-Weiss spin flip dynamics with singular jump rates. The main step in the proof of the LDP, which is of independent interest, is the proof of the comparison principle for an associated collection of Hamilton-Jacobi equations. Additionally, we show that the LDP provides a general method to identify a Lyapunov function for the associated McKean-Vlasov equation.

  4. Beyond mean-field dynamics of ultra-cold bosonic atoms in higher dimensions: facing the challenges with a multi-configurational approach

    NASA Astrophysics Data System (ADS)

    Bolsinger, V. J.; Krönke, S.; Schmelcher, P.

    2017-02-01

    Exploring the impact of dimensionality on the quantum dynamics of interacting bosons in traps including particle correlations is an interesting but challenging task. Due to the different participating length scales, the modelling of the short-range interactions in three dimensions plays a special role. We review different approaches for the latter and elaborate that for multi-configurational computational strategies, finite-range potentials are adequate resulting in the need for large grids to resolve the relevant length scales. This results in computational challenges, which include the exponential scaling of complexity with the number of atoms. We show that the recently developed ab initio multi-layer multi-configurational time-dependent Hartee method for bosons (ML-MCTDHB) (2013 J. Chem. Phys. 139 134103) can face both numerical challenges and present an efficient numerical implementation of ML-MCTDHB in three spatial dimensions, particularly suited to describe the quantum dynamics for elongated traps. The beneficial scaling of our approach is demonstrated by studying the tunnelling dynamics of bosonic ensembles in a double well. Comparing three-dimensional with quasi-one dimensional simulations, we find dimensionality-induced effects in the density. Furthermore, we study the crossover from weak transversal confinement, where a mean-field description of the system is sufficient, towards tight transversal confinement, where particle correlations and beyond mean-field effects are pronounced.

  5. Application of the Stoner-Wohlfarth model with interaction for the determination of the saturation magnetisation, anisotropy field, and mean field interaction in bulk amorphous ferromagnets

    NASA Astrophysics Data System (ADS)

    Collocott, S. J.

    2011-08-01

    Magnetic hysteresis curves of bulk amorphous ferromagnet alloys of composition Nd 60Fe 30Al 10, Nd 60Fe 20Co 10Al 10 and Pr 58Fe 24Al 18 have been measured in applied magnetic fields up to 9 T at temperatures in the range 10-350 K. The behaviour of the demagnetisation curve in the first quadrant is interpreted using a mean field interaction model as proposed by Callen et al. [Phys. Rev. B 16 (1977) 263], which extends the Stoner-Wohlfarth model [Philos. Trans. Roy. Soc. A 240 (1948) 599] for a random distribution of non-interacting uniaxial grains. Application of the mean field interaction model enables the determination of the saturation magnetisation Ms, anisotropy field Ha, and interaction parameter d, and from these other magnetic parameters, such as the anisotropy constant, K, are deduced. For the three alloys, the temperature dependent behaviour of Ms, Ha, d and K over the range 20-350 K are found to be qualitatively similar, though there are quantitative differences. In all cases Ms increases with decreasing temperature, both Ha and K increase with decreasing temperature, reaching a peak in the range 75-120 K, and then decreasing, and d decreases approximately linearly as the temperature decreases. The physical mechanisms responsible for coercivity in these materials are discussed in the context of random anisotropy and a strong pinning model of domain walls.

  6. Anomalous diffusion in the evolution of soccer championship scores: Real data, mean-field analysis, and an agent-based model

    NASA Astrophysics Data System (ADS)

    da Silva, Roberto; Vainstein, Mendeli H.; Gonçalves, Sebastián; Paula, Felipe S. F.

    2013-08-01

    Statistics of soccer tournament scores based on the double round robin system of several countries are studied. Exploring the dynamics of team scoring during tournament seasons from recent years we find evidences of superdiffusion. A mean-field analysis results in a drift velocity equal to that of real data but in a different diffusion coefficient. Along with the analysis of real data we present the results of simulations of soccer tournaments obtained by an agent-based model which successfully describes the final scoring distribution [da Silva , Comput. Phys. Commun.CPHCBZ0010-465510.1016/j.cpc.2012.10.030 184, 661 (2013)]. Such model yields random walks of scores over time with the same anomalous diffusion as observed in real data.

  7. Octupole degree of freedom for the critical-point candidate nucleus Sm152 in a reflection-asymmetric relativistic mean-field approach

    NASA Astrophysics Data System (ADS)

    Zhang, W.; Li, Z. P.; Zhang, S. Q.; Meng, J.

    2010-03-01

    The potential energy surfaces of even-even Sm146-156 are investigated in the constrained reflection-asymmetric relativistic mean-field approach with parameter set PK1. It is shown that the critical-point candidate nucleus Sm152 marks the shape/phase transition not only from U(5) to SU(3) symmetry, but also from the octupole-deformed ground state in Sm150 to the quadrupole-deformed ground state in Sm154. By including the octupole degree of freedom, an energy gap near the Fermi surface for single-particle levels in Sm152 with β2=0.14~0.26 is found and the important role of the octupole deformation driving pair ν2f7/2 and ν1i13/2 is demonstrated.

  8. Fission barriers of two odd-neutron actinide nuclei taking into account the time-reversal symmetry breaking at the mean-field level

    NASA Astrophysics Data System (ADS)

    Koh, Meng-Hock; Bonneau, L.; Quentin, P.; Hao, T. V. Nhan; Wagiran, Husin

    2017-01-01

    Background: For a long time, fission barriers of actinide nuclei have been mostly microscopically calculated for even-even fissioning systems. Calculations in the case of odd nuclei have been performed merely within a so-called equal-filling approximation (EFA) as opposed to an approach taking explicitly into account the time-reversal-breaking properties at the mean-field level—and for only one single-particle configuration. Purpose: We study the dependence of the fission barriers on various relevant configurations (e.g., to evaluate the so-called specialization energy). In addition, we want to assess the relevance of the EFA approach as a function of the deformation, which has been already found for the ground-state deformation. Methods: Calculations within the Hartree-Fock plus BCS approach with self-consistent particle blocking have been performed by using the SkM* Skyrme effective interaction in the particle-hole channel and a seniority force in the particle-particle channel. Axial symmetry has been imposed throughout the whole fission path while the intrinsic parity symmetry has been allowed to be broken in the outer fission barrier region. Results: Potential-energy curves have been determined for six different configurations in 235U and four in 239Pu. Inner and outer fission barriers have been calculated along with some spectroscopic properties in the fission isomeric well. These results have been compared with available data. The influence of time-reversal-breaking mean fields on the solutions has been investigated. Conclusions: A sizable configuration dependence of the fission barrier (width and height) has been demonstrated. A reasonable agreement with available systematic evaluations of fission-barrier heights has been found. The EFA approach has been validated at the large elongations occurring at the outer-barrier region.

  9. Mean-field dynamics with stochastic decoherence (MF-SD): A new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence

    NASA Astrophysics Data System (ADS)

    Bedard-Hearn, Michael J.; Larsen, Ross E.; Schwartz, Benjamin J.

    2005-12-01

    The key factors that distinguish algorithms for nonadiabatic mixed quantum/classical (MQC) simulations from each other are how they incorporate quantum decoherence—the fact that classical nuclei must eventually cause a quantum superposition state to collapse into a pure state—and how they model the effects of decoherence on the quantum and classical subsystems. Most algorithms use distinct mechanisms for modeling nonadiabatic transitions between pure quantum basis states ("surface hops") and for calculating the loss of quantum-mechanical phase information (e.g., the decay of the off-diagonal elements of the density matrix). In our view, however, both processes should be unified in a single description of decoherence. In this paper, we start from the density matrix of the total system and use the frozen Gaussian approximation for the nuclear wave function to derive a nuclear-induced decoherence rate for the electronic degrees of freedom. We then use this decoherence rate as the basis for a new nonadiabatic MQC molecular-dynamics (MD) algorithm, which we call mean-field dynamics with stochastic decoherence (MF-SD). MF-SD begins by evolving the quantum subsystem according to the time-dependent Schrödinger equation, leading to mean-field dynamics. MF-SD then uses the nuclear-induced decoherence rate to determine stochastically at each time step whether the system remains in a coherent mixed state or decoheres. Once it is determined that the system should decohere, the quantum subsystem undergoes an instantaneous total wave-function collapse onto one of the adiabatic basis states and the classical velocities are adjusted to conserve energy. Thus, MF-SD combines surface hops and decoherence into a single idea: decoherence in MF-SD does not require the artificial introduction of reference states, auxiliary trajectories, or trajectory swarms, which also makes MF-SD much more computationally efficient than other nonadiabatic MQC MD algorithms. The unified definition of

  10. A mean-field model of the alkane-saturated lipid bilayer above its phase transition. I. Development of the model.

    PubMed Central

    Gruen, D W

    1981-01-01

    A statistical mechanical model of a bilayer of dipalmitoyl-3-sn-phosphatidylcholine molecules in equilibrium with an aqueous phase saturated with an n-alkane is presented. A mean-field approach developed in previous work on a solventless bilayer (Gruen, Biochim. Biophys. Acta. 595:161--183, 1980) is extended to allow alkane chains to exist in the hydrophobic core of the membrane. As the alkane chains are chemically similar to the lipid chains, much of the analysis follows directly from the solventless model. Novel features of the present model are the inclusion of (a) a term which models the free energy cost of creating space for alkane conformations, (b) a term which constrains the chains to pack evenly in the hydrophobic region of the membrane, and (c) a term which estimates the free energy of mixing of the lipid and alkane molecules in the plane of the bilayer. On uptake of alkane, the dimensions of the bilayer increase. Allowance is made for an increase in thickness and/or an increase in area per lipid. A thermodynamic framework is established which allows evaluation of the free energy of a bilayer of arbitrary dimensions with a view to predicting the equilibrium structure. PMID:6894396

  11. Ab initio implementation of quantum trajectory mean-field approach and dynamical simulation of the N{sub 2}CO photodissociation

    SciTech Connect

    Xie, Binbin; Liu, Lihong; Cui, Ganglong; Fang, Wei-Hai; Cao, Jun; Feng, Wei; Li, Xin-qi

    2015-11-21

    In this work, the recently introduced quantum trajectory mean-field (QTMF) approach is implemented and employed to explore photodissociation dynamics of diazirinone (N{sub 2}CO), which are based on the high-level ab initio calculation. For comparison, the photodissociation process has been simulated as well with the fewest-switches surface hopping (FSSH) and the ab initio multiple spawning (AIMS) methods. Overall, the dynamical behavior predicted by the three methods is consistent. The N{sub 2}CO photodissociation at λ > 335 nm is an ultrafast process and the two C—N bonds are broken in a stepwise way, giving birth to CO and N{sub 2} as the final products in the ground state. Meanwhile, some noticeable differences were found in the QTMF, FSSH, and AIMS simulated time constants for fission of the C—N bonds, excited-state lifetime, and nonadiabatic transition ratios in different intersection regions. These have been discussed in detail. The present study provides a clear evidence that direct ab initio QTMF approach is one of the reliable tools for simulating nonadiabatic dynamics processes.

  12. Transition Helmholtz free energy, entropy, and heat capacity of free-standing smectic films in water: a mean-field treatment.

    PubMed

    Śliwa, Izabela; Zakharov, A V

    2014-11-21

    Using the extended McMillan's mean field approach with anisotropic forces a study of both the structural and thermodynamic properties of free-standing smectic film (FSSF) in water on heating to the isotropic temperature is carried out numerically. By solving the self-consistent nonlinear equations for the order parameters, we obtained that the smectic-A-isotropic (AI) transition occurs through the series of layer-thinning transitions causing the films to thin in the stepwise manner as the temperature is increased above the bulk smectic-A-isotropic temperature TAI(bulk). With enhanced pair interactions in the bounding layers, the smectic-isotropic transition corresponds to smectic melting of the central layers. The effects of surface "enhanced" pair interactions in the bounding layers and of film thickness on the orientational and translational order parameters, the Helmholtz free energy and entropy, as well as the temperature dependence of the heat capacity of FSSFs, have also been investigated. Reasonable agreement between the theoretically predicted and the experimentally obtained - by means of optical microscopy and ellipsometry techniques - data of the temperature when the thin decylcyanobiphenyl smectic film immersing in water ruptures has been obtained.

  13. Designing a planar vector field to investigate the role of a slow variable in an enhanced mean-field model during general anesthesia

    PubMed Central

    Molaee-Ardekani, Behnam; Shamsollahi, Mohammad-Bagher; Senhadji, Lotfi; Vosoughi-Vahdat, Bijan; Wodey, Eric

    2006-01-01

    Local mean-field models (MFMs) describe regional brain activities by some connected differential equations. In an overall view, constituting variables of these differential equations can be divided to very fast, fast and slow variables. In this article we propose a method that can be used to determine role of a slow variable in behavior of MFMs. Very fast variables can be adiabatically removed from the equations. Isoclines of fast and slow variables and their corresponding vector field can provide valuable information about model behavior and role of the slow variable in it. The vector field of our interested MFM that is an enhanced MFM designed specially for general anesthesia, is a 3D field (one slow and two fast variables) and it is not so convenient for visually inspecting the role of the slow variable in this model. To afford this problem we design a 2D (planar) vector filed that only considers the slow variable and one of the fast variables. PMID:17946364

  14. Transition Helmholtz free energy, entropy, and heat capacity of free-standing smectic films in water: A mean-field treatment

    NASA Astrophysics Data System (ADS)

    Śliwa, Izabela; Zakharov, A. V.

    2014-11-01

    Using the extended McMillan's mean field approach with anisotropic forces a study of both the structural and thermodynamic properties of free-standing smectic film (FSSF) in water on heating to the isotropic temperature is carried out numerically. By solving the self-consistent nonlinear equations for the order parameters, we obtained that the smectic-A-isotropic (AI) transition occurs through the series of layer-thinning transitions causing the films to thin in the stepwise manner as the temperature is increased above the bulk smectic-A-isotropic temperature TAI(bulk). With enhanced pair interactions in the bounding layers, the smectic-isotropic transition corresponds to smectic melting of the central layers. The effects of surface "enhanced" pair interactions in the bounding layers and of film thickness on the orientational and translational order parameters, the Helmholtz free energy and entropy, as well as the temperature dependence of the heat capacity of FSSFs, have also been investigated. Reasonable agreement between the theoretically predicted and the experimentally obtained - by means of optical microscopy and ellipsometry techniques - data of the temperature when the thin decylcyanobiphenyl smectic film immersing in water ruptures has been obtained.

  15. Transition Helmholtz free energy, entropy, and heat capacity of free-standing smectic films in water: A mean-field treatment

    SciTech Connect

    Śliwa, Izabela; Zakharov, A. V.

    2014-11-21

    Using the extended McMillan's mean field approach with anisotropic forces a study of both the structural and thermodynamic properties of free-standing smectic film (FSSF) in water on heating to the isotropic temperature is carried out numerically. By solving the self-consistent nonlinear equations for the order parameters, we obtained that the smectic-A-isotropic (AI) transition occurs through the series of layer-thinning transitions causing the films to thin in the stepwise manner as the temperature is increased above the bulk smectic-A-isotropic temperature T{sub AI}(bulk). With enhanced pair interactions in the bounding layers, the smectic-isotropic transition corresponds to smectic melting of the central layers. The effects of surface “enhanced” pair interactions in the bounding layers and of film thickness on the orientational and translational order parameters, the Helmholtz free energy and entropy, as well as the temperature dependence of the heat capacity of FSSFs, have also been investigated. Reasonable agreement between the theoretically predicted and the experimentally obtained – by means of optical microscopy and ellipsometry techniques – data of the temperature when the thin decylcyanobiphenyl smectic film immersing in water ruptures has been obtained.

  16. ASEP/MD: A program for the calculation of solvent effects combining QM/MM methods and the mean field approximation

    NASA Astrophysics Data System (ADS)

    Galván, I. Fdez; Sánchez, M. L.; Martín, M. E.; Olivares del Valle, F. J.; Aguilar, M. A.

    2003-11-01

    ASEP/MD is a computer program designed to implement the Averaged Solvent Electrostatic Potential/Molecular Dynamics (ASEP/MD) method developed by our group. It can be used for the study of solvent effects and properties of molecules in their liquid state or in solution. It is written in the FORTRAN90 programming language, and should be easy to follow, understand, maintain and modify. Given the nature of the ASEP/MD method, external programs are needed for the quantum calculations and molecular dynamics simulations. The present version of ASEP/MD includes interface routines for the GAUSSIAN package, HONDO, and MOLDY, but adding support for other programs is straightforward. This article describes the program and its usage. Program summaryTitle of program: ASEP/MD Catalogue identifier:ADSF Program Summary URL:http://cpc.cs.qub.ac.uk/summaries/ADSF Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Computer for which the program is designed: it has been tested on Intel-based PC and Sun Operating systems under which the program has been tested: Red Hat Linux 7.2 and SunOS 5.6 Programming language used: FORTRAN90 Memory required to execute with typical data: greatly depends on the system No. of processors used: 1 Has the code been vectorized or parallelized?: no No. of bytes in distributed program, including test data, etc.: 44 544 Distribution format: tar gzip file Keywords: Solvent effects, QM/MM methods, mean field approximation, geometry optimization Nature of physical problem: The study of molecules in solution with quantum methods is a difficult task because of the large number of molecules and configurations that must be taken into account. The quantum mechanics/molecular mechanics methods proposed to date either require massive computational power or oversimplify the solute quantum description. Method of solution: A non-traditional QM/MM method based on the mean field approximation was developed where a classical molecular

  17. Interacting Turing-Hopf Instabilities Drive Symmetry-Breaking Transitions in a Mean-Field Model of the Cortex: A Mechanism for the Slow Oscillation

    NASA Astrophysics Data System (ADS)

    Steyn-Ross, Moira L.; Steyn-Ross, D. A.; Sleigh, J. W.

    2013-04-01

    Electrical recordings of brain activity during the transition from wake to anesthetic coma show temporal and spectral alterations that are correlated with gross changes in the underlying brain state. Entry into anesthetic unconsciousness is signposted by the emergence of large, slow oscillations of electrical activity (≲1Hz) similar to the slow waves observed in natural sleep. Here we present a two-dimensional mean-field model of the cortex in which slow spatiotemporal oscillations arise spontaneously through a Turing (spatial) symmetry-breaking bifurcation that is modulated by a Hopf (temporal) instability. In our model, populations of neurons are densely interlinked by chemical synapses, and by interneuronal gap junctions represented as an inhibitory diffusive coupling. To demonstrate cortical behavior over a wide range of distinct brain states, we explore model dynamics in the vicinity of a general-anesthetic-induced transition from “wake” to “coma.” In this region, the system is poised at a codimension-2 point where competing Turing and Hopf instabilities coexist. We model anesthesia as a moderate reduction in inhibitory diffusion, paired with an increase in inhibitory postsynaptic response, producing a coma state that is characterized by emergent low-frequency oscillations whose dynamics is chaotic in time and space. The effect of long-range axonal white-matter connectivity is probed with the inclusion of a single idealized point-to-point connection. We find that the additional excitation from the long-range connection can provoke seizurelike bursts of cortical activity when inhibitory diffusion is weak, but has little impact on an active cortex. Our proposed dynamic mechanism for the origin of anesthetic slow waves complements—and contrasts with—conventional explanations that require cyclic modulation of ion-channel conductances. We postulate that a similar bifurcation mechanism might underpin the slow waves of natural sleep and comment on the

  18. The design of a peptide sequence to inhibit HIV replication: a search algorithm combining Monte Carlo and self-consistent mean field techniques.

    PubMed

    Xiao, Xingqing; Hall, Carol K; Agris, Paul F

    2014-01-01

    We developed a search algorithm combining Monte Carlo (MC) and self-consistent mean field techniques to evolve a peptide sequence that has good binding capability to the anticodon stem and loop (ASL) of human lysine tRNA species, tRNA(Lys3), with the ultimate purpose of breaking the replication cycle of human immunodeficiency virus-1. The starting point is the 15-amino-acid sequence, RVTHHAFLGAHRTVG, found experimentally by Agris and co-workers to bind selectively to hypermodified tRNA(Lys3). The peptide backbone conformation is determined via atomistic simulation of the peptide-ASL(Lys3) complex and then held fixed throughout the search. The proportion of amino acids of various types (hydrophobic, polar, charged, etc.) is varied to mimic different peptide hydration properties. Three different sets of hydration properties were examined in the search algorithm to see how this affects evolution to the best-binding peptide sequences. Certain amino acids are commonly found at fixed sites for all three hydration states, some necessary for binding affinity and some necessary for binding specificity. Analysis of the binding structure and the various contributions to the binding energy shows that: 1) two hydrophilic residues (asparagine at site 11 and the cysteine at site 12) "recognize" the ASL(Lys3) due to the VDW energy, and thereby contribute to its binding specificity and 2) the positively charged arginines at sites 4 and 13 preferentially attract the negatively charged sugar rings and the phosphate linkages, and thereby contribute to the binding affinity.

  19. Symmetry energy of cold nucleonic matter within a relativistic mean field model encapsulating effects of high-momentum nucleons induced by short-range correlations

    NASA Astrophysics Data System (ADS)

    Cai, Bao-Jun; Li, Bao-An

    2016-01-01

    It is well known that short-range nucleon-nucleon correlations (SRC) from the tensor components and/or the repulsive core of nuclear forces lead to a high- (low-)momentum tail (depletion) in the single-nucleon momentum distribution above (below) the nucleon Fermi surface in cold nucleonic matter. Significant progress was made recently in constraining the isospin-dependent parameters characterizing the SRC-modified single-nucleon momentum distribution in neutron-rich nucleonic matter using both experimental data and microscopic model calculations. Using the constrained single-nucleon momentum distribution in a nonlinear relativistic mean field (RMF) model, we study the equation of state (EOS) of asymmetric nucleonic matter (ANM), especially the density dependence of nuclear symmetry energy Esym(ρ ) . First, as a test of the model, the average nucleon kinetic energy extracted recently from electron-nucleus scattering experiments using a neutron-proton dominance model is well reproduced by the RMF model incorporating effects of the SRC-induced high-momentum nucleons, while it is significantly under predicted by the RMF model using a step function for the single-nucleon momentum distribution as in free Fermi gas (FFG) models. Second, consistent with earlier findings within nonrelativistic models, the kinetic symmetry energy of quasinucleons is found to be Esymkin(ρ0) =-16.94 ±13.66 MeV which is dramatically different from the prediction of Esymkin(ρ0) ≈12.5 MeV by FFG models at nuclear matter saturation density ρ0=0.16 fm-3 . Third, comparing the RMF calculations with and without the high-momentum nucleons using two sets of model parameters both reproducing identically all empirical constraints on the EOS of symmetric nuclear matter (SNM) and the symmetry energy of ANM at ρ0, the SRC-modified single-nucleon momentum distribution is found to make the Esym(ρ ) more concave around ρ0 by softening it significantly at both subsaturation and suprasaturation

  20. Utilizing satellite precipitation estimates for streamflow forecasting via adjustment of mean field bias in precipitation data and assimilation of streamflow observations

    NASA Astrophysics Data System (ADS)

    Lee, Haksu; Zhang, Yu; Seo, Dong-Jun; Xie, Pingping

    2015-10-01

    This study explores mitigating bias in satellite quantitative precipitation estimates (SQPE) and improving hydrologic predictions at ungauged locations via adjustment of the mean field bias (MFB) in SQPE and data assimilation (DA) of streamflow observations in a distributed hydrologic model. In this study, a variational procedure is used to adjust MFB in Climate Prediction Center MORPHing (CMORPH) SQPE and assimilate streamflow observations at the outlet of Elk River Basin in Missouri into the distributed Sacramento Soil Moisture Accounting (SAC-SMA) and kinematic wave routing models. The benefits of assimilation are assessed by comparing the streamflow predictions with or without DA at both the outlet and an upstream location, and by comparing the soil moisture grids forced by CMORPH SQPE against those forced by higher-quality multisensor quantitative precipitation estimates (MQPE) from National Weather Service. Special attention is given to the dependence of the efficacy of DA on the quality and latency of the SQPE, and the impact of dynamic correction of MFB in the SQPE via DA. The results show that adjusting MFB in CMORPH SQPE in addition to assimilating outlet flow reduces 66% of the bias in the CMORPH SQPE analysis and the RMSE of 12-h streamflow predictions by 81% at the outlet and 34-62% at interior locations of the catchment. Compared to applying a temporally invariant MFB for the entire storm, the DA-based, dynamic MFB correction reduces the RMSE of 6-h streamflow prediction by 63% at the outlet and 39-69% at interior locations. It is also shown that the accuracy of streamflow prediction deteriorates if the delineation of the precipitation area by CMORPH SQPE is significantly different, as measured by the Hausdorff distance, from that by MQPE. When compared with adjusting MFB in the CMORPH SQPE over the entire assimilation window, adjusting the MFB for all but the latest 18 h (i.e., the latency of CMORPH SQPE) within the assimilation window reduces the

  1. Modeling the magnetic isotherms of (La0.56Ce0.14)Sr0.30MnO3 by a mean-field scaling method and estimation of magnetic entropy change

    NASA Astrophysics Data System (ADS)

    Yahyaoui, S.; Khalfaoui, M.; Kallel, S.; Kallel, N.; Amaral, J. S.; Ben Lamine, A.

    2015-11-01

    We report a study on the magnetic properties of the (La0.56Ce0.14)Sr0.30MnO3 perovskite, by a mean-field method. By scaling of the experimental magnetization data, the mean-field exchange parameter λ and the BS function of the equation of state BS [ (H +Hexch) / T ] are directly determined, as well as the order of the phase transition. The spin quantum number of the manganite has been also determined. The mean-field scaling has been used to estimate magnetic entropy change (- ΔSM) within the thermodynamics of the model and without using the usual numerical integration of a Maxwell relation. The maxima of the positive absolute value of (- ΔSM) upon variation of the applied magnetic field at 1 and 5 T are about 1.68 and 5.04 J kg-1 K-1, respectively. Satisfactory agreement between the mean-field model and experimental behavior has been found.

  2. Landau theory for helical nematic phases

    NASA Astrophysics Data System (ADS)

    Kats, E. I.; Lebedev, V. V.

    2014-09-01

    We propose Landau phenomenology for the phase transition from the conventional nematic into the conical helical orientationally non-uniform structure recently identified in liquid crystals formed by "banana"-shaped molecules. The mean field predictions are mostly in agreement with experimental data. Based on the analogy with de Gennes model, we argue that fluctuations of the order parameter turn the transition to the first order phase transition rather than continuous one predicted by the mean-field theory. This conclusion is in agreement with experimental observations. We discuss the new Goldstone mode to be observed in the low-temperature phase.

  3. Correlation of electronic structure and magnetic moment in Ga1-xMnxN : First-principles, mean field and high temperature series expansions calculations

    NASA Astrophysics Data System (ADS)

    Masrour, R.; Hlil, E. K.

    2016-08-01

    Self-consistent ab initio calculations based on density-functional theory and using both full potential linearized augmented plane wave and Korring-Kohn-Rostoker-coherent potential approximation methods, are performed to investigate both electronic and magnetic properties of the Ga1-xMnxN system. 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 such as the magnetic phase diagram and the critical exponent. The increasing of the dilution x in this system has allowed to verify a series of HTSEs predictions on the possibility of ferromagnetism in dilute magnetic insulators and to demonstrate that the interaction changes from antiferromagnetic to ferromagnetic passing through the spins glace phase.

  4. Application of an Extended Parabolic Equation to the Calculation of the Mean Field and the Transverse and Longitudinal Mutual Coherence Functions Within Atmospheric Turbulence

    NASA Technical Reports Server (NTRS)

    Manning, Robert M.

    2005-01-01

    Solutions are derived for the generalized mutual coherence function (MCF), i.e., the second order moment, of a random wave field propagating through a random medium within the context of the extended parabolic equation. Here, "generalized" connotes the consideration of both the transverse as well as the longitudinal second order moments (with respect to the direction of propagation). Such solutions will afford a comparison between the results of the parabolic equation within the pararaxial approximation and those of the wide-angle extended theory. To this end, a statistical operator method is developed which gives a general equation for an arbitrary spatial statistical moment of the wave field. The generality of the operator method allows one to obtain an expression for the second order field moment in the direction longitudinal to the direction of propagation. Analytical solutions to these equations are derived for the Kolmogorov and Tatarskii spectra of atmospheric permittivity fluctuations within the Markov approximation.

  5. Information Theory - The Bridge Connecting Bounded Rational Game Theory and Statistical Physics

    NASA Technical Reports Server (NTRS)

    Wolpert, David H.

    2005-01-01

    A long-running difficulty with conventional game theory has been how to modify it to accommodate the bounded rationality of all red-world players. A recurring issue in statistical physics is how best to approximate joint probability distributions with decoupled (and therefore far more tractable) distributions. This paper shows that the same information theoretic mathematical structure, known as Product Distribution (PD) theory, addresses both issues. In this, PD theory not only provides a principle formulation of bounded rationality and a set of new types of mean field theory in statistical physics; it also shows that those topics are fundamentally one and the same.

  6. Magnetic and antimagnetic rotation in covariant density functional theory

    SciTech Connect

    Zhao, P. W.; Liang, H. Z.; Peng, J.; Ring, P.; Zhang, S. Q.; Meng, J.

    2012-10-20

    Progress on microscopic and self-consistent description of the magnetic rotation and antimagnetic rotation phenomena in tilted axis cranking relativistic mean-field theory based on a point-coupling interaction are briefly reviewed. In particular, the microscopic pictures of the shears mechanism in {sup 60}Ni and the two shears-like mechanism in {sup 105}Cd are discussed.

  7. A comparison of a GCM simulation of the seasonal cycle of the atmosphere with observation. I - Mean fields and the annual harmonic. II - Stationary waves and transient fluctuations. [general circulation model

    NASA Technical Reports Server (NTRS)

    Straus, David M.; Shukla, J.

    1988-01-01

    The seasonal cycle of a GCM is analyzed in terms of the behavior of the monthly and seasonal mean fields and the structure of the annual harmonic. The GCM is found to be successful in simulating the Northern Hemisphere sea-level pressure and 200-mb heights over eastern continents and oceans and in the entire Southern Hemisphere. Problems in the simulation include an anomalously deep Aleutian low and low values of the height over Europe in winter. The GCM fails to show the observed amplitude of the annual harmonic in 200-mb temperature over Antarctica. In the second section, the seasonal dependence of the stationary and transient eddies of the GCM are presented for a two-year annual cycle. The accuracy of the wave and eddy simulations is analyzed.

  8. A quark transport theory to describe nucleon-nucleon collisions

    NASA Astrophysics Data System (ADS)

    Kalmbach, U.; Vetter, T.; Biró, T. S.; Mosel, U.

    1993-11-01

    On the basis of the Friedberg-Lee model we formulate a semiclassical transport theory to describe the phase-space evolution of nucleon-nucleon collisions on the quark level. The time evolution is given by a Vlasov equation for the quark phase-space distribution and a Klein-Gordon equation for the mean-field describing the nucleon as a soliton bag. The Vlasov equation is solved numerically using an extended test-particle method. We test the confinement mechanism and mean-field effects in (1 + 1)-dimensional simulations.

  9. Using a stochastic field theory to understand group behavior in microswimmer suspensions

    NASA Astrophysics Data System (ADS)

    Underhill, Patrick; Qian, Yuzhou; Kramer, Peter

    2015-11-01

    Active suspensions of microswimmers appear both in natural biological systems (e.g. bacteria or algae) and in synthetic systems. Even without external forcing they are out of equilibrium, which gives rise to interesting properties in both small and large concentrations of the particles. These properties have been observed in experiments as well as simulation/modeling approaches. It is important to understand how hydrodynamic interactions between active swimmers cause and/or alter the suspension properties including enhanced transport and mixing. One of the most successful approaches has been a mean field theory. However, in some situations the mean field theory makes predictions that differ significantly from experiments and direct (agent or particle based) simulations. There are also some quantities that cannot be calculated by the mean field theory. In this talk, we will describe our new approach which uses a stochastic field to overcome the limitations of the mean field assumption. It allows us to calculate how interactions between organisms alter the correlations and mixing in conditions where the mean field theory cannot.

  10. Using a stochastic field theory to understand group behavior in microswimmer suspensions

    NASA Astrophysics Data System (ADS)

    Underhill, Patrick; Qian, Yuzhou; Kramer, Peter

    Active suspensions of microswimmers appear both in natural biological systems (e.g. bacteria or algae) and in synthetic systems. Even without external forcing they are out of equilibrium, which gives rise to interesting properties in both small and large concentrations of the particles. These properties have been observed in experiments as well as simulation/modeling approaches. It is important to understand how hydrodynamic interactions between active swimmers cause and/or alter the suspension properties including enhanced transport and mixing. One of the most successful approaches has been a mean field theory. However, in some situations the mean field theory makes predictions that differ significantly from experiments and direct (agent or particle based) simulations. There are also some quantities that cannot be calculated by the mean field theory. In this talk, we will describe our new approach which uses a stochastic field to overcome the limitations of the mean field assumption. It allows us to calculate how interactions between organisms alter the correlations and mixing in conditions where the mean field theory cannot.

  11. Band terminations in density functional theory

    SciTech Connect

    Afanasjev, A. V.

    2008-11-15

    The analysis of the terminating bands has been performed in the relativistic mean field framework. It was shown that nuclear magnetism provides an additional binding to the energies of the specific configuration and this additional binding increases with spin and has its maximum exactly at the terminating state. This suggests that the terminating states can be an interesting probe of the time-odd mean fields provided that other effects can be reliably isolated. Unfortunately, a reliable isolation of these effects is not that simple: many terms of the density functional theories contribute into the energies of the terminating states and the deficiencies in the description of those terms affect the result. The recent suggestion [H. Zdunczuk, W. Satula, and R. A. Wyss, Phys. Rev. C 71, 024305 (2005)] that the relative energies of the terminating states in the N{ne}Z,A{approx}44 mass region given by {delta}E provide unique and reliable constraints on time-odd mean fields and the strength of spin-orbit interaction in density functional theories has been reanalyzed. The current investigation shows that the {delta}E value is affected also by the relative placement of the states with different orbital angular momentum l, namely, the placement of the d (l=2) and f (l=3) states. This indicates the dependence of the {delta}E value on the properties of the central potential.

  12. String theory as a Lilliputian world

    NASA Astrophysics Data System (ADS)

    Ambjørn, J.; Makeenko, Y.

    2016-05-01

    Lattice regularizations of the bosonic string do not allow us to probe the tachyon. This has often been viewed as the reason why these theories have never managed to make any contact to standard continuum string theories when the dimension of spacetime is larger than two. We study the continuum string theory in large spacetime dimensions where simple mean field theory is reliable. By keeping carefully the cutoff we show that precisely the existence of a tachyon makes it possible to take a scaling limit which reproduces the lattice-string results. We compare this scaling limit with another scaling limit which reproduces standard continuum-string results. If the people working with lattice regularizations of string theories are akin to Gulliver they will view the standard string-world as a Lilliputian world no larger than a few lattice spacings.

  13. Mean-field dynamics of a Bose-Einstein condensate in a time-dependent triple-well trap: Nonlinear eigenstates, Landau-Zener models, and stimulated Raman adiabatic passage

    SciTech Connect

    Graefe, E. M.; Korsch, H. J.; Witthaut, D.

    2006-01-15

    We investigate the dynamics of a Bose-Einstein condensate in a triple-well trap in a three-level approximation. The interatomic interactions are taken into account in a mean-field approximation (Gross-Pitaevskii equation), leading to a nonlinear three-level model. Additional eigenstates emerge due to the nonlinearity, depending on the system parameters. Adiabaticity breaks down if such a nonlinear eigenstate disappears when the parameters are varied. The dynamical implications of this loss of adiabaticity are analyzed for two important special cases: A three-level Landau-Zener model and the stimulated Raman adiabatic passage (STIRAP) scheme. We discuss the emergence of looped levels for an equal-slope Landau-Zener model. The Zener tunneling probability does not tend to zero in the adiabatic limit and shows pronounced oscillations as a function of the velocity of the parameter variation. Furthermore we generalize the STIRAP scheme for adiabatic coherent population transfer between atomic states to the nonlinear case. It is shown that STIRAP breaks down if the nonlinearity exceeds the detuning.

  14. Generalized approach to global renormalization-group theory for fluids

    NASA Astrophysics Data System (ADS)

    Ramana, A. Sai Venkata; Menon, S. V. G.

    2012-04-01

    The global renormalization-group theory (GRGT) for fluids is derived starting with the square-gradient approximation for the Helmholtz free energy functional such that any mean-field free energy density and direct correlation function can be employed. The new derivation uses Wilson's functions for representing density fluctuations, thereby relaxing the assumption of cosine variation of density fluctuations used in earlier approaches. The generality of the present approach is shown by deriving the relationships to the earlier developments. A qualitative way to infer the free parameters in the present form of GRGT is also suggested. The new theory is applied to square-well fluids of ranges 1.5 and 3.0 (in units of hard-sphere diameter) and Lennard-Jones fluids. It is shown that the present theory produces a flat isotherm in the two-phase region. Thus the theory accounts for fluctuations at all length scales and avoids the use of Maxwell's construction. An analysis of the liquid-vapor phase diagrams and the critical constants obtained for different potentials shows that, with a mean-field free energy density that is accurate away from the critical region and an appropriate coarse graining length for the mean-field theory, GRGT can provide results in good agreement with the simulation and experimental results.

  15. String Theory and Gauge Theories

    SciTech Connect

    Maldacena, Juan

    2009-02-20

    We will see how gauge theories, in the limit that the number of colors is large, give string theories. We will discuss some examples of particular gauge theories where the corresponding string theory is known precisely, starting with the case of the maximally supersymmetric theory in four dimensions which corresponds to ten dimensional string theory. We will discuss recent developments in this area.

  16. Motivation and challenge to capture both large-scale and local transport in next generation accretion theory

    NASA Astrophysics Data System (ADS)

    Blackman, Eric G.; Nauman, Farrukh

    2015-10-01

    > Accretion disc theory is less developed than stellar evolution theory although a similarly mature phenomenological picture is ultimately desired. While the interplay of theory and numerical simulations has amplified community awareness of the role of magnetic fields in angular momentum transport, there remains a long term challenge to incorporate the insights gained from simulations into improving practical models for comparison with observations. What has been learned from simulations that can lead to improvements beyond SS73 in practical models? Here, we emphasize the need to incorporate the role of non-local transport more precisely. To show where large-scale transport would fit into the theoretical framework and how it is currently missing, we review why the wonderfully practical approach of Shakura & Sunyaev (Astron. Astrophys., vol. 24, 1973, pp. 337-355, SS73) is necessarily a mean field theory, and one which does not include large-scale transport. Observations of coronae and jets, combined with the interpretation of results from shearing box simulations, of the magnetorotational instability (MRI) suggest that a significant fraction of disc transport is indeed non-local. We show that the Maxwell stresses in saturation are dominated by large-scale contributions and that the physics of MRI transport is not fully captured by a viscosity. We also clarify the standard physical interpretation of the MRI as it applies to shearing boxes. Computational limitations have so far focused most attention toward local simulations, but the next generation of global simulations should help to inform improved mean field theories. Mean field accretion theory and mean field dynamo theory should in fact be unified into a single theory that predicts the time evolution of spectra and luminosity from separate disc, corona and outflow contributions. Finally, we note that any mean field theory, including that of SS73, has a finite predictive precision that needs to be quantified

  17. Competing degrees of freedom in nuclear structure theory. Final Report for 1999-2002

    SciTech Connect

    Johnson, Calvin W.

    2003-07-04

    The central focus of this research was the interplay between three generic classes of degrees of freedom relevant to nuclear structure theory: single-particle degrees of freedom, collective degrees of freedom, and statistical degrees of freedom, which can be thought of as an incoherent mean field or a thermal bath.

  18. Lubrication of textured surfaces: a general theory for flow and shear stress factors.

    PubMed

    Scaraggi, Michele

    2012-08-01

    We report on a mean field theory of textured surface lubrication. We study the fluid flow dynamics occurring at the interface as a function of the texture characteristics, e.g. texture area density, shape and distribution of microstructures, and local slip lengths. The present results may be very important for the investigation of tailored microtextured surfaces for low-friction hydrodynamic applications.

  19. Geographical Theories.

    ERIC Educational Resources Information Center

    Golledge, Reginald G.

    1996-01-01

    Discusses the origin of theories in geography and particularly the development of location theories. Considers the influence of economic theory on agricultural land use, industrial location, and geographic location theories. Explores a set of interrelated activities that show how the marketing process illustrates process theory. (MJP)

  20. Field theory of propagating reaction-diffusion fronts

    SciTech Connect

    Escudero, C.

    2004-10-01

    The problem of velocity selection of reaction-diffusion fronts has been widely investigated. While the mean-field limit results are well known theoretically, there is a lack of analytic progress in those cases in which fluctuations are to be taken into account. Here, we construct an analytic theory connecting the first principles of the reaction-diffusion process to an effective equation of motion via field-theoretic arguments, and we arrive at results already confirmed by numerical simulations.