Quantum phase transition of light in the Rabi–Hubbard model

International Nuclear Information System (INIS)

Schiró, M; Bordyuh, M; Öztop, B; Türeci, H E

2013-01-01

We discuss the physics of the Rabi–Hubbard model describing large arrays of coupled cavities interacting with two level atoms via a Rabi nonlinearity. We show that the inclusion of counter-rotating terms in the light–matter interaction, often neglected in theoretical descriptions based on Jaynes–Cumming models, is crucial to stabilize finite-density quantum phases of correlated photons with no need for an artificially engineered chemical potential. We show that the physical properties of these phases and the quantum phase transition occurring between them is remarkably different from those of interacting bosonic massive quantum particles. The competition between photon delocalization and Rabi nonlinearity drives the system across a novel Z 2 parity symmetry-breaking quantum phase transition between two gapped phases, a Rabi insulator and a delocalized super-radiant phase. (paper)

Symmetry-breaking solutions of the Hubbard model

International Nuclear Information System (INIS)

Kuzemsky, A.L.; )

1998-10-01

The problem of finding the ferromagnetic and antiferromagnetic ''broken symmetry'' solutions of the correlated lattice fermion models beyond the mean-field approximation has been investigated. The calculation of the quasiparticle excitation spectrum with damping for the single- and multi-orbital Hubbard model has been performed in the framework of the equation-of-motion method for two-time temperature Green's Functions within a non-perturbative approach. A unified scheme for the construction of Generalised Mean Fields (elastic scattering corrections) and self-energy (inelastic scattering) in terms of Dyson equation has been generalised in order to include the presence of the ''source fields''. The damping of quasiparticles, which reflects the interaction of the single-particle and collective degrees of freedom has been calculated. The ''broken symmetry'' dynamical solutions of the Hubbard model, which correspond to various types of itinerant antiferromagnetism have been discussed. This approach complements previous studies and clarifies the nature of the concepts of itinerant antiferromagnetism and ''spin-aligning field'' of correlated lattice fermions. (author)

Optical conductivity of the Hubbard model

International Nuclear Information System (INIS)

Vicente Alvarez, J.J.; Balseiro, C.A.; Ceccatto, H.A.

1996-07-01

We study the response to a static electric field (charge stiffness) and the frequency-dependent conductivity of the Hubbard model in a resonant-valence-bond-type paramagnetic phase. This phase is described by means of a charge and spin rotational-invariant approach, based on a mixed fermion-boson representation of the original strongly correlated electrons. We found that the Mott transition at half filling is well described by the charge stiffness behaviour, and that the values for this quantity off half filling agree reasonably well with numerical results. Furthermore, for the frequency-dependent conductivity we trace back the origin of the band which appears inside the Hubbard gap to magnetic pair breaking. This points to a magnetic origin of midinfrared band in high-T c compounds, with no relation to superconductivity. (author). 12 refs, 2 tabs

Superconducting, magnetic, and charge correlations in the doped two-chain Hubbard model

International Nuclear Information System (INIS)

Asai, Y.

1995-01-01

We have studied the superconducting, magnetic, and charge correlation functions and the spin excitation spectrum in the doped two-chain Hubbard model by projector Monte Carlo and Lanczos diagonalization methods. The exponent of the interchain singlet superconducting correlation function, γ, is found to be close to 2.0 as long as two distinct noninteracting bands cross the Fermi level. Magnetic and charge correlation functions decay more rapidly than or as fast as the interchain singlet superconducting correlation function along the chains. The superconducting correlation in the doped two-chain Hubbard model is the most long-range correlation studied here. Implications of the results for the possible universality class of the doped two-chain Hubbard model are discussed

Exotic superconducting states in the extended attractive Hubbard model.

Science.gov (United States)

Nayak, Swagatam; Kumar, Sanjeev

2018-04-04

We show that the extended attractive Hubbard model on a square lattice allows for a variety of superconducting phases, including exotic mixed-symmetry phases with [Formula: see text] and [Formula: see text] symmetries, and a novel [Formula: see text] state. The calculations are performed within the Hartree-Fock Bardeen-Cooper-Schrieffer framework. The ground states of the mean-field Hamiltonian are obtained via a minimization scheme that relaxes the symmetry constraints on the superconducting solutions, hence allowing for a mixing of s-, p- and d-wave order parameters. The results are obtained within the assumption of uniform-density states. Our results show that extended attractive Hubbard model can serve as an effective model for investigating properties of exotic superconductors.

The symmetry of the Hubbard model

International Nuclear Information System (INIS)

Grosse, H.

1988-01-01

The spectrum of the Hubbard model shows permanent degeneracy of levels with different symmetry, if one considers only symmetry operators independent of the coupling constant. This suggests the existence of symmetry operators which depend on the coupling constant. We find these highly nontrivial operators and show that they explain the degeneracies in the energy spectrum. 5 refs. (Author)

Nonperturbative approach to the attractive Hubbard model

International Nuclear Information System (INIS)

Allen, S.; Tremblay, A.-M. S.

2001-01-01

A nonperturbative approach to the single-band attractive Hubbard model is presented in the general context of functional-derivative approaches to many-body theories. As in previous work on the repulsive model, the first step is based on a local-field-type ansatz, on enforcement of the Pauli principle and a number of crucial sumrules. The Mermin-Wagner theorem in two dimensions is automatically satisfied. At this level, two-particle self-consistency has been achieved. In the second step of the approximation, an improved expression for the self-energy is obtained by using the results of the first step in an exact expression for the self-energy, where the high- and low-frequency behaviors appear separately. The result is a cooperon-like formula. The required vertex corrections are included in this self-energy expression, as required by the absence of a Migdal theorem for this problem. Other approaches to the attractive Hubbard model are critically compared. Physical consequences of the present approach and agreement with Monte Carlo simulations are demonstrated in the accompanying paper (following this one)

Cold Attractive Spin Polarized Fermi Lattice Gases and the Doped Positive U Hubbard Model

International Nuclear Information System (INIS)

Moreo, Adriana; Scalapino, D. J.

2007-01-01

Experiments on polarized fermion gases performed by trapping ultracold atoms in optical lattices allow the study of an attractive Hubbard model for which the strength of the on-site interaction is tuned by means of a Feshbach resonance. Using a well-known particle-hole transformation we discuss how results obtained for this system can be reinterpreted in the context of a doped repulsive Hubbard model. In particular, we show that the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state corresponds to the striped state of the two-dimensional doped positive U Hubbard model. We then use the results of numerical studies of the striped state to relate the periodicity of the FFLO state to the spin polarization. We also comment on the relationship of the d x 2 -y 2 superconducting phase of the doped 2D repulsive Hubbard model to a d-wave spin density wave state for the attractive case

Ferromagnetism in the Hubbard-Hirsch model

International Nuclear Information System (INIS)

Ivanov, V.A.; Zhuravlev, M.E.

1991-01-01

In the Hubbard model U=∞ the energy lowering due to exchange interaction of electrons of opposite spin in states with opposite bonding character is taken into account. In the electron concentration range 0< n<1 nonmonotonous dependence m(n) analogous to Slater-Pauling curves has been obtained. The Curle temperature having nonmonotonous dependence on n, saturated magnetization, the temperature dependences of magnetization have been obtained. (orig.)

Fidelity study of superconductivity in extended Hubbard models

Science.gov (United States)

Plonka, N.; Jia, C. J.; Wang, Y.; Moritz, B.; Devereaux, T. P.

2015-07-01

The Hubbard model with local on-site repulsion is generally thought to possess a superconducting ground state for appropriate parameters, but the effects of more realistic long-range Coulomb interactions have not been studied extensively. We study the influence of these interactions on superconductivity by including nearest- and next-nearest-neighbor extended Hubbard interactions in addition to the usual on-site terms. Utilizing numerical exact diagonalization, we analyze the signatures of superconductivity in the ground states through the fidelity metric of quantum information theory. We find that nearest and next-nearest neighbor interactions have thresholds above which they destabilize superconductivity regardless of whether they are attractive or repulsive, seemingly due to competing charge fluctuations.

Study of the two-dimensional Hubbard model at half-filling through constructive methods; Etude du modele de Hubbard bidimensionnel a demi remplissage par des methodes constructives

Energy Technology Data Exchange (ETDEWEB)

Afchain, St

2005-02-15

The Hubbard model is the simplest model to describe the behaviour of fermions on a network, it takes into account only fermion scattering and only interactions with other fermions located on the same site. Half-filling means that the total number of fermions is equal to half the number of sites. In the first chapter we show how we can pass trough successive approximations from a very general Hamiltonian to the Hubbard Hamiltonian. The second chapter is dedicated to the passage from the Hamiltonian formalism to the Grassmanian functional formalism. The main idea is to show that the correlation functions of the Hamiltonian approach can be described through fermionic functional integrals which implies the possibility of speaking of the model in terms of field theory. The chapter 3 deals with the main constructive techniques that allow the strict and consistent construction of models inside the frame of field theory. We show by proving the violation of a condition concerning self-energy, that the two-dimensional Hubbard model at half-filling has not the behaviour of a Fermi liquid in the Landau's interpretation. (A.C.)

Spectral properties near the Mott transition in the two-dimensional Hubbard model

Science.gov (United States)

Kohno, Masanori

2013-03-01

Single-particle excitations near the Mott transition in the two-dimensional (2D) Hubbard model are investigated by using cluster perturbation theory. The Mott transition is characterized by the loss of the spectral weight from the dispersing mode that leads continuously to the spin-wave excitation of the Mott insulator. The origins of the dominant modes of the 2D Hubbard model near the Mott transition can be traced back to those of the one-dimensional Hubbard model. Various anomalous spectral features observed in cuprate high-temperature superconductors, such as the pseudogap, Fermi arc, flat band, doping-induced states, hole pockets, and spinon-like and holon-like branches, as well as giant kink and waterfall in the dispersion relation, are explained in a unified manner as properties near the Mott transition in a 2D system.

Physical properties of the half-filled Hubbard model in infinite dimensions

International Nuclear Information System (INIS)

Georges, A.; Krauth, W.

1993-01-01

A detailed quantitative study of the physical properties of the infinite-dimensional Hubbard model at half filling is presented. The method makes use of an exact mapping onto a single-impurity model supplemented by a self-consistency condition. This coupled problem is solved numerically. Results for thermodynamic quantities (specific heat, entropy, . . .), one-particle spectral properties, and magnetic properties (response to a uniform magnetic field) are presented and discussed. The nature of the Mott-Hubbard metal-insulator transition found in this model is investigated. A numerical solution of the mean-field equations inside the antiferromagnetic phase is also reported

The Langevin method and Hubbard-like models

International Nuclear Information System (INIS)

Gross, M.; Hamber, H.

1989-01-01

The authors reexamine the difficulties associated with application of the Langevin method to numerical simulation of models with non-positive definite statistical weights, including the Hubbard model. They show how to avoid the violent crossing of the zeroes of the weight and how to move those nodes away from the real axis. However, it still appears necessary to keep track of the sign (or phase) of the weight

Valence-bond theory of linear Hubbard and Pariser-Parr-Pople models

Science.gov (United States)

Soos, Z. G.; Ramasesha, S.

1984-05-01

The ground and low-lying states of finite quantum-cell models with one state per site are obtained exactly through a real-space basis of valence-bond (VB) diagrams that explicitly conserve the total spin. Regular and alternating Hubbard and Pariser-Parr-Pople (PPP) chains and rings with Ne electrons on N(PPP models, but differ from mean-field results. Molecular PPP parameters describe well the excitations of finite polyenes, odd polyene ions, linear cyanine dyes, and slightly overestimate the absorption peaks in polyacetylene (CH)x. Molecular correlations contrast sharply with uncorrelated descriptions of topological solitons, which are modeled by regular polyene radicals and their ions for both wide and narrow alternation crossovers. Neutral solitons have no midgap absorption and negative spin densities, while the intensity of the in-gap excitation of charged solitons is not enhanced. The properties of correlated states in quantum-cell models with one valence state per site are discussed in the adiabatic limit for excited-state geometries and instabilities to dimerization.

Phase competition in a one-dimensional three-orbital Hubbard-Holstein model

Science.gov (United States)

Li, Shaozhi; Tang, Yanfei; Maier, Thomas A.; Johnston, Steven

2018-05-01

We study the interplay between the electron-phonon (e -ph) and on-site electron-electron (e-e) interactions in a three-orbital Hubbard-Holstein model on an extended one-dimensional lattice using determinant quantum Monte Carlo. For weak e-e and e -ph interactions, we observe a competition between an orbital-selective Mott phase (OSMP) and a (multicomponent) charge-density-wave (CDW) insulating phase, with an intermediate metallic phase located between them. For large e-e and e -ph couplings, the OSMP and CDW phases persist, while the metallic phase develops short-range orbital correlations and becomes insulating when both the e-e and e -ph interactions are large but comparable. Many of our conclusions are in line with those drawn from a prior dynamical mean-field theory study of the two-orbital Hubbard-Holstein model [Phys. Rev. B 95, 121112(R) (2017), 10.1103/PhysRevB.95.121112] in infinite dimension, suggesting that the competition between the e -ph and e-e interactions in multiorbital Hubbard-Holstein models leads to rich physics, regardless of the dimension of the system.

Magnon edge states in the hardcore- Bose-Hubbard model.

Science.gov (United States)

Owerre, S A

2016-11-02

Quantum Monte Carlo (QMC) simulation has uncovered nonzero Berry curvature and bosonic edge states in the hardcore-Bose-Hubbard model on the gapped honeycomb lattice. The competition between the chemical potential and staggered onsite potential leads to an interesting quantum phase diagram comprising the superfluid phase, Mott insulator, and charge density wave insulator. In this paper, we present a semiclassical perspective of this system by mapping to a spin-1/2 quantum XY model. We give an explicit analytical origin of the quantum phase diagram, the Berry curvatures, and the edge states using semiclassical approximations. We find very good agreement between the semiclassical analyses and the QMC results. Our results show that the topological properties of the hardcore-Bose-Hubbard model are the same as those of magnon in the corresponding quantum spin system. Our results are applicable to systems of ultracold bosonic atoms trapped in honeycomb optical lattices.

Interaction effect in the Kondo energy of the periodic Anderson-Hubbard model

Science.gov (United States)

Itai, K.; Fazekas, P.

1996-07-01

We extend the periodic Anderson model by switching on a Hubbard U for the conduction band. The nearly integral valent limit of the Anderson-Hubbard model is studied with the Gutzwiller variational method. The lattice Kondo energy shows U dependence both in the prefactor and the exponent. Switching on U reduces the Kondo scale, which can be understood to result from the blocking of hybridization. At half filling, we find a Brinkman-Rice-type transition from a Kondo insulator to a Mott insulator. Our findings should be relevant for a number of correlated two-band models of recent interest.

Superconducting correlations in the one-band Hubbard model with intermediate on-site and weak attractive intersite interactions

International Nuclear Information System (INIS)

Jain, K.P.; Ramakumar, R.; Chancey, C.C.

1990-01-01

In this paper, we analyze a simple extended Hubbard model with an intermediate on-site interaction (both repulsive and attractive) and a weak intersite attractive interaction. Following Hubbard decoupling approximations and introducing Hubbard subband operators, we obtain a generalized gap function for singlet s-wave pairing that explicitly depends on the Hubbard subband energies. For the on-site repulsive-interaction case, we find that the superconductivity is not destroyed in the intermediate-interaction regime, contrary to the prediction of a Hartree-Fock mean-field treatment. The essential consequence of the on-site repulsion is the formation of the Hubbard subbands separated by the Mott-Hubbard gap, and it is within these subbands that pairing induced by the intersite interaction occurs. For the attractive on-site interaction case, the on-site pairing amplitude is found to be proportional to the bandwidth, and the gap function has contributions from both on-site and intersite pairing. The relevance of the model to high-temperature superconductivity is discussed

Extended Hubbard model for mesoscopic transport in donor arrays in silicon

Science.gov (United States)

Le, Nguyen H.; Fisher, Andrew J.; Ginossar, Eran

2017-12-01

Arrays of dopants in silicon are promising platforms for the quantum simulation of the Fermi-Hubbard model. We show that the simplest model with only on-site interaction is insufficient to describe the physics of an array of phosphorous donors in silicon due to the strong intersite interaction in the system. We also study the resonant tunneling transport in the array at low temperature as a mean of probing the features of the Hubbard physics, such as the Hubbard bands and the Mott gap. Two mechanisms of localization which suppresses transport in the array are investigated: The first arises from the electron-ion core attraction and is significant at low filling; the second is due to the sharp oscillation in the tunnel coupling caused by the intervalley interference of the donor electron's wave function. This disorder in the tunnel coupling leads to a steep exponential decay of conductance with channel length in one-dimensional arrays, but its effect is less prominent in two-dimensional ones. Hence, it is possible to observe resonant tunneling transport in a relatively large array in two dimensions.

Classical mapping for Hubbard operators: Application to the double-Anderson model

Energy Technology Data Exchange (ETDEWEB)

Li, Bin; Miller, William H. [Department of Chemistry and Kenneth S. Pitzer Center for Theoretical Chemistry, University of California, and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Levy, Tal J.; Rabani, Eran [School of Chemistry, The Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978 (Israel)

2014-05-28

A classical Cartesian mapping for Hubbard operators is developed to describe the nonequilibrium transport of an open quantum system with many electrons. The mapping of the Hubbard operators representing the many-body Hamiltonian is derived by using analogies from classical mappings of boson creation and annihilation operators vis-à-vis a coherent state representation. The approach provides qualitative results for a double quantum dot array (double Anderson impurity model) coupled to fermionic leads for a range of bias voltages, Coulomb couplings, and hopping terms. While the width and height of the conduction peaks show deviations from the master equation approach considered to be accurate in the limit of weak system-leads couplings and high temperatures, the Hubbard mapping captures all transport channels involving transition between many electron states, some of which are not captured by approximate nonequilibrium Green function closures.

The role of local repulsion in superconductivity in the Hubbard-Holstein model

Science.gov (United States)

Lin, Chungwei; Wang, Bingnan; Teo, Koon Hoo

2017-01-01

We examine the superconducting solution in the Hubbard-Holstein model using Dynamical Mean Field Theory. The Holstein term introduces the site-independent Boson fields coupling to local electron density, and has two competing influences on superconductivity: The Boson field mediates the effective electron-electron attraction, which is essential for the S-wave electron pairing; the same coupling to the Boson fields also induces the polaron effect, which makes the system less metallic and thus suppresses superconductivity. The Hubbard term introduces an energy penalty U when two electrons occupy the same site, which is expected to suppress superconductivity. By solving the Hubbard-Holstein model using Dynamical Mean Field theory, we find that the Hubbard U can be beneficial to superconductivity under some circumstances. In particular, we demonstrate that when the Boson energy Ω is small, a weak local repulsion actually stabilizesthe S-wave superconducting state. This behavior can be understood as an interplay between superconductivity, the polaron effect, and the on-site repulsion: As the polaron effect is strong and suppresses superconductivity in the small Ω regime, the weak on-site repulsion reduces the polaron effect and effectively enhances superconductivity. Our calculation elucidates the role of local repulsion in the conventional S-wave superconductors.

Universal quantum computation by scattering in the Fermi–Hubbard model

International Nuclear Information System (INIS)

Bao, Ning; Hayden, Patrick; Salton, Grant; Thomas, Nathaniel

2015-01-01

The Hubbard model may be the simplest model of particles interacting on a lattice, but simulation of its dynamics remains beyond the reach of current numerical methods. In this article, we show that general quantum computations can be encoded into the physics of wave packets propagating through a planar graph, with scattering interactions governed by the fermionic Hubbard model. Therefore, simulating the model on planar graphs is as hard as simulating quantum computation. We give two different arguments, demonstrating that the simulation is difficult both for wave packets prepared as excitations of the fermionic vacuum, and for hole wave packets at filling fraction one-half in the limit of strong coupling. In the latter case, which is described by the t-J model, there is only reflection and no transmission in the scattering events, as would be the case for classical hard spheres. In that sense, the construction provides a quantum mechanical analog of the Fredkin–Toffoli billiard ball computer. (paper)

Functional renormalization for antiferromagnetism and superconductivity in the Hubbard model

International Nuclear Information System (INIS)

Friederich, Simon

2010-01-01

Despite its apparent simplicity, the two-dimensional Hubbard model for locally interacting fermions on a square lattice is widely considered as a promising approach for the understanding of Cooper pair formation in the quasi two-dimensional high-T c cuprate materials. In the present work this model is investigated by means of the functional renormalization group, based on an exact flow equation for the effective average action. In addition to the fermionic degrees of freedom of the Hubbard Hamiltonian, bosonic fields are introduced which correspond to the different possible collective orders of the system, for example magnetism and superconductivity. The interactions between bosons and fermions are determined by means of the method of ''rebosonization'' (or ''flowing bosonization''), which can be described as a continuous, scale-dependent Hubbard-Stratonovich transformation. This method allows an efficient parameterization of the momentum-dependent effective two-particle interaction between fermions (four-point vertex), and it makes it possible to follow the flow of the running couplings into the regimes exhibiting spontaneous symmetry breaking, where bosonic fluctuations determine the types of order which are present on large length scales. Numerical results for the phase diagram are presented, which include the mutual influence of different, competing types of order. (orig.)

Functional renormalization for antiferromagnetism and superconductivity in the Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Friederich, Simon

2010-12-08

Despite its apparent simplicity, the two-dimensional Hubbard model for locally interacting fermions on a square lattice is widely considered as a promising approach for the understanding of Cooper pair formation in the quasi two-dimensional high-T{sub c} cuprate materials. In the present work this model is investigated by means of the functional renormalization group, based on an exact flow equation for the effective average action. In addition to the fermionic degrees of freedom of the Hubbard Hamiltonian, bosonic fields are introduced which correspond to the different possible collective orders of the system, for example magnetism and superconductivity. The interactions between bosons and fermions are determined by means of the method of ''rebosonization'' (or ''flowing bosonization''), which can be described as a continuous, scale-dependent Hubbard-Stratonovich transformation. This method allows an efficient parameterization of the momentum-dependent effective two-particle interaction between fermions (four-point vertex), and it makes it possible to follow the flow of the running couplings into the regimes exhibiting spontaneous symmetry breaking, where bosonic fluctuations determine the types of order which are present on large length scales. Numerical results for the phase diagram are presented, which include the mutual influence of different, competing types of order. (orig.)

Methodes d'amas quantiques a temperature finie appliquees au modele de Hubbard

Science.gov (United States)

Plouffe, Dany

Depuis leur decouverte dans les annees 80, les supraconducteurs a haute temperature critique ont suscite beaucoup d'interet en physique du solide. Comprendre l'origine des phases observees dans ces materiaux, telle la supraconductivite, est l'un des grands defis de la physique theorique du solide des 25 dernieres annees. L'un des mecanismes pressentis pour expliquer ces phenomenes est la forte interaction electron-electron. Le modele de Hubbard est l'un des modeles les plus simples pour tenir compte de ces interactions. Malgre la simplicite apparente de ce modele, certaines de ses caracteristiques, dont son diagramme de phase, ne sont toujours pas bien etablies, et ce malgre plusieurs avancements theoriques dans les dernieres annees. Cette etude se consacre a faire une analyse de methodes numeriques permettant de calculer diverses proprietes du modele de Hubbard en fonction de la temperature. Nous decrivons des methodes (la VCA et la CPT) qui permettent de calculer approximativement la fonction de Green a temperature finie sur un systeme infini a partir de la fonction de Green calculee sur un amas de taille finie. Pour calculer ces fonctions de Green, nous allons utiliser des methodes permettant de reduire considerablement les efforts numeriques necessaires pour les calculs des moyennes thermodynamiques, en reduisant considerablement l'espace des etats a considerer dans ces moyennes. Bien que cette etude vise d'abord a developper des methodes d'amas pour resoudre le modele de Hubbard a temperature finie de facon generale ainsi qu'a etudier les proprietes de base de ce modele, nous allons l'appliquer a des conditions qui s'approchent de supraconducteurs a haute temperature critique. Les methodes presentees dans cette etude permettent de tracer un diagramme de phase pour l'antiferromagnetisme et la supraconductivite qui presentent plusieurs similarites avec celui des supraconducteurs a haute temperature. Mots-cles : modele de Hubbard, thermodynamique

Ising tricriticality in the extended Hubbard model with bond dimerization

Science.gov (United States)

Fehske, Holger; Ejima, Satoshi; Lange, Florian; Essler, Fabian H. L.

We explore the quantum phase transition between Peierls and charge-density-wave insulating states in the one-dimensional, half-filled, extended Hubbard model with explicit bond dimerization. We show that the critical line of the continuous Ising transition terminates at a tricritical point, belonging to the universality class of the tricritical Ising model with central charge c=7/10. Above this point, the quantum phase transition becomes first order. Employing a numerical matrix-product-state based (infinite) density-matrix renormalization group method we determine the ground-state phase diagram, the spin and two-particle charge excitations gaps, and the entanglement properties of the model with high precision. Performing a bosonization analysis we can derive a field description of the transition region in terms of a triple sine-Gordon model. This allows us to derive field theory predictions for the power-law (exponential) decay of the density-density (spin-spin) and bond-order-wave correlation functions, which are found to be in excellent agreement with our numerical results. This work was supported by Deutsche Forschungsgemeinschaft (Germany), SFB 652, project B5, and by the EPSRC under Grant No. EP/N01930X/1 (FHLE).

One-dimensional extended Bose-Hubbard model with a confining potential: a DMRG analysis

Energy Technology Data Exchange (ETDEWEB)

Urba, Laura; Lundh, Emil; Rosengren, Anders [Condensed Matter Theory, Department of Theoretical Physics, KTH, AlbaNova University Center, SE-106 91 Stockholm (Sweden)

2006-12-28

The extended Bose-Hubbard model in a quadratic trap potential is studied using a finite-size density-matrix renormalization group method (DMRG). We compute the boson density profiles, the local compressibility and the hopping correlation functions. We observe the phase separation induced by the trap in all the quantities studied and conclude that the local density approximation is valid in the extended Bose-Hubbard model. From the plateaus obtained in the local compressibility it was possible to obtain the phase diagram of the homogeneous system which is in agreement with previous results.

A Riemann-Hilbert formulation for the finite temperature Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Cavaglià, Andrea [Dipartimento di Fisica and INFN, Università di Torino,Via P. Giuria 1, 10125 Torino (Italy); Cornagliotto, Martina [Dipartimento di Fisica and INFN, Università di Torino,Via P. Giuria 1, 10125 Torino (Italy); DESY Hamburg, Theory Group,Notkestrasse 85, D-22607 Hamburg (Germany); Mattelliano, Massimo; Tateo, Roberto [Dipartimento di Fisica and INFN, Università di Torino,Via P. Giuria 1, 10125 Torino (Italy)

2015-06-03

Inspired by recent results in the context of AdS/CFT integrability, we reconsider the Thermodynamic Bethe Ansatz equations describing the 1D fermionic Hubbard model at finite temperature. We prove that the infinite set of TBA equations are equivalent to a simple nonlinear Riemann-Hilbert problem for a finite number of unknown functions. The latter can be transformed into a set of three coupled nonlinear integral equations defined over a finite support, which can be easily solved numerically. We discuss the emergence of an exact Bethe Ansatz and the link between the TBA approach and the results by Jüttner, Klümper and Suzuki based on the Quantum Transfer Matrix method. We also comment on the analytic continuation mechanism leading to excited states and on the mirror equations describing the finite-size Hubbard model with twisted boundary conditions.

Study of the two-dimensional Hubbard model at half-filling through constructive methods

International Nuclear Information System (INIS)

Afchain, St.

2005-02-01

The Hubbard model is the simplest model to describe the behaviour of fermions on a network, it takes into account only fermion scattering and only interactions with other fermions located on the same site. Half-filling means that the total number of fermions is equal to half the number of sites. In the first chapter we show how we can pass trough successive approximations from a very general Hamiltonian to the Hubbard Hamiltonian. The second chapter is dedicated to the passage from the Hamiltonian formalism to the Grassmanian functional formalism. The main idea is to show that the correlation functions of the Hamiltonian approach can be described through fermionic functional integrals which implies the possibility of speaking of the model in terms of field theory. The chapter 3 deals with the main constructive techniques that allow the strict and consistent construction of models inside the frame of field theory. We show by proving the violation of a condition concerning self-energy, that the two-dimensional Hubbard model at half-filling has not the behaviour of a Fermi liquid in the Landau's interpretation. (A.C.)

Planar N = 4 gauge theory and the Hubbard model

International Nuclear Information System (INIS)

Rej, Adam; Serban, Didina; Staudacher, Matthias

2006-01-01

Recently it was established that a certain integrable long-range spin chain describes the dilatation operator of N = 4 gauge theory in the su(2) sector to at least three-loop order, while exhibiting BMN scaling to all orders in perturbation theory. Here we identify this spin chain as an approximation to an integrable short-ranged model of strongly correlated electrons: The Hubbard model

Effective electron-electron and electron-phonon interactions in the Hubbard-Holstein model

International Nuclear Information System (INIS)

Aprea, G.; Di Castro, C.; Grilli, M. . E-mail marco.grilli@roma1.infn.it; Lorenzana, J.

2006-01-01

We investigate the interplay between the electron-electron and the electron-phonon interaction in the Hubbard-Holstein model. We implement the flow-equation method to investigate within this model the effect of correlation on the electron-phonon effective coupling and, conversely, the effect of phonons in the effective electron-electron interaction. Using this technique we obtain analytical momentum-dependent expressions for the effective couplings and we study their behavior for different physical regimes. In agreement with other works on this subject, we find that the electron-electron attraction mediated by phonons in the presence of Hubbard repulsion is peaked at low transferred momenta. The role of the characteristic energies involved is also analyzed

Ground state phase diagram of extended attractive Hubbard model

International Nuclear Information System (INIS)

Robaszkiewicz, S.; Chao, K.A.; Micnas, R.

1980-08-01

The ground state phase diagram of the extended Hubbard model with intraatomic attraction has been derived in the Hartree-Fock approximation formulated in terms of the Bogoliubov variational approach. For a given value of electron density, the nature of the ordered ground state depends essentially on the sign and the strength of the nearest neighbor coupling. (author)

Fourier-accelerated Langevin simulation of the frustrated XY model and simulation of the spinless and spin one-half Hubbard model

International Nuclear Information System (INIS)

Scheinine, A.L.

1992-01-01

The frustrated XY model was studied on a lattice, primarily to test Fourier transform acceleration technique for a phase transition having more field structure than just spinwaves and vortices. Also, the spinless Hubbard model without hopping was simulated using continuous variables for the auxiliary field that mediates coupling between fermions. Finally, spin one-half Hubbard model was studied with a technique that sampled the fermion occupation configurations. The frustrated two-dimensional XY model was simulated using the Langevin equation with Fourier transform acceleration. Speedup due to Fourier acceleration was measured for frustration one-half at the transition temperature. The unfrustrated XY model was also studied. For the frustrated case, only long-distance spin correlation and the autocorrelation of the spin showed significant speedup. The frustrated case has Ising-like domains. It was found that Fourier acceleration speeds the evolution of spinwaves but has negligible effect on the Ising-like domains. In the Hubbard model, fermion determinant weight factor in the partition function changes sign, causing large statistical fluctuations of observables. A technique was found for sampling configuration space using continuous auxiliary fields, despite energy barriers where the fermion determinant changes sign. For two-dimensional spinless Hubbard model with no hopping, an exact solution was found for a 4 x 4 lattice; which could be compared to numerical simulations. The sign problem remained, and was found to be related to the sign problem encountered when a discrete variable is used for the auxiliary field. For spin one-half Hubbard model, a Monte Carlo simulation was done in which the fermion occupation configurations were varied. Rather than integrate-out the fermions and make a numerical estimate of the sum over the auxiliary field, the auxiliary field was integrated-out and a numerical estimate was made of the sum over fermion configurations

Non local theory of excitations applied to the Hubbard model

International Nuclear Information System (INIS)

Kakehashi, Y; Nakamura, T; Fulde, P

2010-01-01

We propose a nonlocal theory of single-particle excitations. It is based on an off-diagonal effective medium and the projection operator method for treating the retarded Green function. The theory determines the nonlocal effective medium matrix elements by requiring that they are consistent with those of the self-energy of the Green function. This arrows for a description of long-range intersite correlations with high resolution in momentum space. Numerical study for the half-filled Hubbard model on the simple cubic lattice demonstrates that the theory is applicable to the strong correlation regime as well as the intermediate regime of Coulomb interaction strength. Furthermore the results show that nonlocal excitations cause sub-bands in the strong Coulomb interaction regime due to strong antiferromagnetic correlations, decrease the quasi-particle peak on the Fermi level with increasing Coulomb interaction, and shift the critical Coulomb interaction U C2 for the divergence of effective mass towards higher energies at least by a factor of two as compared with that in the single-site approximation.

DMFT+Σ approach to disordered Hubbard model

International Nuclear Information System (INIS)

Kuchinskii, E. Z.; Sadovskii, M. V.

2016-01-01

We briefly review the generalized dynamic mean-field theory DMFT+Σ applied to both repulsive and attractive disordered Hubbard models. We examine the general problem of metal–insulator transition and the phase diagram in the repulsive case, as well as the BCS–BEC crossover region of the attractive model, demonstrating a certain universality of single-electron properties under disordering in both models. We also discuss and compare the results for the density of states and dynamic conductivity in the repulsive and attractive cases and the generalized Anderson theorem behavior of the superconducting critical temperature in the disordered attractive case. A brief discussion of the behavior of Ginzburg–Landau coefficients under disordering in the BCS–BEC crossover region is also presented.

Recent numerical results on the two dimensional Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Parola, A.; Sorella, S.; Baroni, S.; Car, R.; Parrinello, M.; Tosatti, E. (SISSA, Trieste (Italy))

1989-12-01

A new method for simulating strongly correlated fermionic systems, has been applied to the study of the ground state properties of the 2D Hubbard model at various fillings. Comparison has been made with exact diagonalizations in the 4 x 4 lattices where very good agreement has been verified in all the correlation functions which have been studied: charge, magnetization and momentum distribution. (orig.).

Recent numerical results on the two dimensional Hubbard model

International Nuclear Information System (INIS)

Parola, A.; Sorella, S.; Baroni, S.; Car, R.; Parrinello, M.; Tosatti, E.

1989-01-01

This paper reports a new method for simulating strongly correlated fermionic systems applied to the study of the ground state properties of the 2D Hubbard model at various fillings. Comparison has been made with exact diagonalizations in the 4 x 4 lattices where very good agreement has been verified in all the correlation functions which have been studied: charge, magnetization and momentum distribution

Unsupervised machine learning account of magnetic transitions in the Hubbard model

Science.gov (United States)

Ch'ng, Kelvin; Vazquez, Nick; Khatami, Ehsan

2018-01-01

We employ several unsupervised machine learning techniques, including autoencoders, random trees embedding, and t -distributed stochastic neighboring ensemble (t -SNE), to reduce the dimensionality of, and therefore classify, raw (auxiliary) spin configurations generated, through Monte Carlo simulations of small clusters, for the Ising and Fermi-Hubbard models at finite temperatures. Results from a convolutional autoencoder for the three-dimensional Ising model can be shown to produce the magnetization and the susceptibility as a function of temperature with a high degree of accuracy. Quantum fluctuations distort this picture and prevent us from making such connections between the output of the autoencoder and physical observables for the Hubbard model. However, we are able to define an indicator based on the output of the t -SNE algorithm that shows a near perfect agreement with the antiferromagnetic structure factor of the model in two and three spatial dimensions in the weak-coupling regime. t -SNE also predicts a transition to the canted antiferromagnetic phase for the three-dimensional model when a strong magnetic field is present. We show that these techniques cannot be expected to work away from half filling when the "sign problem" in quantum Monte Carlo simulations is present.

Superconducting properties of the η-pairing state in the Penson-Kolb-Hubbard model

International Nuclear Information System (INIS)

Czart, W.R.; Robaszkiewicz, S.

2004-01-01

The Penson-Kolb-Hubbard model, i.e. the Hubbard model with the pair-hopping interaction J is studied. We focus on the properties of the superconducting state with the Cooper-pair center-of mass momentum q Q(η-phase). The transition into the η-phase, which is favorized by the repulsive J (J c |, dependent on band filling, on-site interaction U and band structure, and the system never exhibits standard BCS-like features. This is in obvious contrast with the properties of the isotropic s-wave state, stabilized by the attractive J and attractive U, which exhibit at T = 0 a smooth crossover from the BCS-like limit to that of tightly bound pairs with increasing pairing strength. (author)

Possible coexistence of antiferromagnetism and superconductivity in the Hubbard model

International Nuclear Information System (INIS)

Su Zhaobin; Dong Jinming; Yu Lu; Shen Juelian

1988-01-01

The Hubbard model in the nearly half-filled case was studied in the mean field approximation using the effective Hamiltonian approach. Both antiferromagnetic order parameter and condensation of singlet pairs were considered. In certain parameter ranges the coexistence of antiferromagnetism and superconductivity is energetically favourable. Relevance to the high temperature superconductivity and other theoretical approaches is also discussed. (author). 10 refs, 3 figs

Quantum simulation of a Fermi-Hubbard model using a semiconductor quantum dot array

Science.gov (United States)

Hensgens, T.; Fujita, T.; Janssen, L.; Li, Xiao; van Diepen, C. J.; Reichl, C.; Wegscheider, W.; Das Sarma, S.; Vandersypen, L. M. K.

2017-08-01

Interacting fermions on a lattice can develop strong quantum correlations, which are the cause of the classical intractability of many exotic phases of matter. Current efforts are directed towards the control of artificial quantum systems that can be made to emulate the underlying Fermi-Hubbard models. Electrostatically confined conduction-band electrons define interacting quantum coherent spin and charge degrees of freedom that allow all-electrical initialization of low-entropy states and readily adhere to the Fermi-Hubbard Hamiltonian. Until now, however, the substantial electrostatic disorder of the solid state has meant that only a few attempts at emulating Fermi-Hubbard physics on solid-state platforms have been made. Here we show that for gate-defined quantum dots this disorder can be suppressed in a controlled manner. Using a semi-automated and scalable set of experimental tools, we homogeneously and independently set up the electron filling and nearest-neighbour tunnel coupling in a semiconductor quantum dot array so as to simulate a Fermi-Hubbard system. With this set-up, we realize a detailed characterization of the collective Coulomb blockade transition, which is the finite-size analogue of the interaction-driven Mott metal-to-insulator transition. As automation and device fabrication of semiconductor quantum dots continue to improve, the ideas presented here will enable the investigation of the physics of ever more complex many-body states using quantum dots.

Quantum simulation of a Fermi-Hubbard model using a semiconductor quantum dot array.

Science.gov (United States)

Hensgens, T; Fujita, T; Janssen, L; Li, Xiao; Van Diepen, C J; Reichl, C; Wegscheider, W; Das Sarma, S; Vandersypen, L M K

2017-08-02

Interacting fermions on a lattice can develop strong quantum correlations, which are the cause of the classical intractability of many exotic phases of matter. Current efforts are directed towards the control of artificial quantum systems that can be made to emulate the underlying Fermi-Hubbard models. Electrostatically confined conduction-band electrons define interacting quantum coherent spin and charge degrees of freedom that allow all-electrical initialization of low-entropy states and readily adhere to the Fermi-Hubbard Hamiltonian. Until now, however, the substantial electrostatic disorder of the solid state has meant that only a few attempts at emulating Fermi-Hubbard physics on solid-state platforms have been made. Here we show that for gate-defined quantum dots this disorder can be suppressed in a controlled manner. Using a semi-automated and scalable set of experimental tools, we homogeneously and independently set up the electron filling and nearest-neighbour tunnel coupling in a semiconductor quantum dot array so as to simulate a Fermi-Hubbard system. With this set-up, we realize a detailed characterization of the collective Coulomb blockade transition, which is the finite-size analogue of the interaction-driven Mott metal-to-insulator transition. As automation and device fabrication of semiconductor quantum dots continue to improve, the ideas presented here will enable the investigation of the physics of ever more complex many-body states using quantum dots.

Emulating the 1-dimensional Fermi-Hubbard model with superconducting qubits

Energy Technology Data Exchange (ETDEWEB)

Reiner, Jan-Michael; Marthaler, Michael; Schoen, Gerd [Institut fuer Theoretische Festkoerperphysik, Karlsruhe Institute of Technology (KIT), 76131 Karlsruhe (Germany)

2016-07-01

A chain of qubits with both ZZ and XX couplings is described by a Hamiltonian which coincides with the Fermi-Hubbard model in one dimension. The qubit system can thus be used to study the quantum properties of this model. We investigate the specific implementation of such an analog quantum simulator by a chain of tunable Transmon qubits, where the ZZ interaction arises due to an inductive coupling and the XX interaction due to a capacitive coupling.

Relative and center-of-mass motion in the attractive Bose-Hubbard model

DEFF Research Database (Denmark)

Sørensen, Ole Søe; Gammelmark, Søren; Mølmer, Klaus

2012-01-01

We present first-principles numerical calculations for few-particle solutions of the attractive Bose-Hubbard model with periodic boundary conditions. We show that the low-energy many-body states found by numerical diagonalization can be written as translational superposition states of compact...

Low-lying Photoexcited States of a One-Dimensional Ionic Extended Hubbard Model

Science.gov (United States)

Yokoi, Kota; Maeshima, Nobuya; Hino, Ken-ichi

2017-10-01

We investigate the properties of low-lying photoexcited states of a one-dimensional (1D) ionic extended Hubbard model at half-filling. Numerical analysis by using the full and Lanczos diagonalization methods shows that, in the ionic phase, there exist low-lying photoexcited states below the charge transfer gap. As a result of comparison with numerical data for the 1D antiferromagnetic (AF) Heisenberg model, it was found that, for a small alternating potential Δ, these low-lying photoexcited states are spin excitations, which is consistent with a previous analytical study [Katsura et al., link ext-link-type="uri" xlink:href="https://doi.org/10.1103/PhysRevLett.103.177402" xlink:type="simple">Phys. Rev. Lett. 103, 177402 (2009)link>]. As Δ increases, the spectral intensity of the 1D ionic extended Hubbard model rapidly deviates from that of the 1D AF Heisenberg model and it is clarified that this deviation is due to the neutral-ionic domain wall, an elementary excitation near the neutral-ionic transition point.

Correlation mediated superconductivity in a Spin Peierls Phase of the Hubbard Model

International Nuclear Information System (INIS)

Long, M.W.

1987-08-01

The author explores the consequences of a mapping of the Hubbard Hamiltonian with a view to finding possible superconducting phases. The transformation pairs up all the sites and is therefore a much more natural starting point for describing a 'Spin Peierls' transition, generating enhanced singlet correlations for this pairing, than it is for describing the 'Resonating Valence Bond' state. It is shown that in the less than half filling case, an effective non-linear hopping Hamiltonian is quite useful in describing half of the electrons. This effective Hamiltonian can show a form of superconducting instability when nearest neighbour hopping is introduced to stabilise it. This superconducting phase seems to be a very unlikely possibility for the standard Hubbard model. (author)

Fidelity study of the superconducting phase diagram in the two-dimensional single-band Hubbard model

Science.gov (United States)

Jia, C. J.; Moritz, B.; Chen, C.-C.; Shastry, B. Sriram; Devereaux, T. P.

2011-09-01

Extensive numerical studies have demonstrated that the two-dimensional single-band Hubbard model contains much of the key physics in cuprate high-temperature superconductors. However, there is no definitive proof that the Hubbard model truly possesses a superconducting ground state or, if it does, of how it depends on model parameters. To answer these longstanding questions, we study an extension of the Hubbard model including an infinite-range d-wave pair field term, which precipitates a superconducting state in the d-wave channel. Using exact diagonalization on 16-site square clusters, we study the evolution of the ground state as a function of the strength of the pairing term. This is achieved by monitoring the fidelity metric of the ground state, as well as determining the ratio between the two largest eigenvalues of the d-wave pair/spin/charge-density matrices. The calculations show a d-wave superconducting ground state in doped clusters bracketed by a strong antiferromagnetic state at half filling controlled by the Coulomb repulsion U and a weak short-range checkerboard charge ordered state at larger hole doping controlled by the next-nearest-neighbor hopping t'. We also demonstrate that negative t' plays an important role in facilitating d-wave superconductivity.

Exact results and conjectures on the adiabatic Holstein-Hubbard model at large electron-phonon coupling

International Nuclear Information System (INIS)

Aubry, S.

1993-01-01

Principles and notations of the Holstein-Hubbard model in a magnetic field are first reviewed. Effects of the dimensionality, the lattice discreteness and the magnetic field on single polarons, are examined and the existence of many polarons and bipolarons structures at large electron-phonon coupling is discussed. Properties of bipolaronic and polaronic structures are examined together with the magnetic field effects on these structures. High Tc superconductivity resulting from the competition between the electron-phonon and Hubbard couplings is discussed. 7 figs., 18 refs

Penson-Kolb-Hubbard model: a renormalisation group study

International Nuclear Information System (INIS)

Bhattacharyya, Bibhas; Roy, G.K.

1995-01-01

The Penson-Kolb-Hubbard (PKH) model in one dimension (1d) by means of real space renormalisation group (RG) method for the half-filled band has been studied. Different phases are identified by studying the RG-flow pattern, the energy gap and different correlation functions. The phase diagram consists of four phases: a spin density wave (SDW), a strong coupling superconducting phase (SSC), a weak coupling superconducting phase (WSC) and a nearly metallic phase. For the negative value of the pair hopping amplitude introduced in this model it was found that the pair-pair correlation indicates a superconducting phase for which the centre-of-mass of the pairs move with a momentum π. (author). 7 refs., 4 figs

Madelung and Hubbard interactions in polaron band model of doped organic semiconductors

Science.gov (United States)

Png, Rui-Qi; Ang, Mervin C.Y.; Teo, Meng-How; Choo, Kim-Kian; Tang, Cindy Guanyu; Belaineh, Dagmawi; Chua, Lay-Lay; Ho, Peter K.H.

2016-01-01

The standard polaron band model of doped organic semiconductors predicts that density-of-states shift into the π–π* gap to give a partially filled polaron band that pins the Fermi level. This picture neglects both Madelung and Hubbard interactions. Here we show using ultrahigh workfunction hole-doped model triarylamine–fluorene copolymers that Hubbard interaction strongly splits the singly-occupied molecular orbital from its empty counterpart, while Madelung (Coulomb) interactions with counter-anions and other carriers markedly shift energies of the frontier orbitals. These interactions lower the singly-occupied molecular orbital band below the valence band edge and give rise to an empty low-lying counterpart band. The Fermi level, and hence workfunction, is determined by conjunction of the bottom edge of this empty band and the top edge of the valence band. Calculations are consistent with the observed Fermi-level downshift with counter-anion size and the observed dependence of workfunction on doping level in the strongly doped regime. PMID:27582355

Single-particle properties of the Hubbard model in a novel three-pole approximation

Science.gov (United States)

Di Ciolo, Andrea; Avella, Adolfo

2018-05-01

We study the 2D Hubbard model using the Composite Operator Method within a novel three-pole approximation. Motivated by the long-standing experimental puzzle of the single-particle properties of the underdoped cuprates, we include in the operatorial basis, together with the usual Hubbard operators, a field describing the electronic transitions dressed by the nearest-neighbor spin fluctuations, which play a crucial role in the unconventional behavior of the Fermi surface and of the electronic dispersion. Then, we adopt this approximation to study the single-particle properties in the strong coupling regime and find an unexpected behavior of the van Hove singularity that can be seen as a precursor of a pseudogap regime.

Moment approach for the attractive Hubbard model in two dimensions: superconductivity

Energy Technology Data Exchange (ETDEWEB)

Rodriguez-Nunez, J.J.; Cordeiro, C.; Delfino, A. [Universidade Federal Fluminense, Niteroi, RJ (Brazil). Inst. de Fisica

1997-12-31

Full text. Using the moment of Nolting (Z. Phys. 225, 25 (1972) for the attractive Hubbard model in the superconducting phase, we have derived a set of three non-linear equations, the electron density, the superconducting order parameter, and the narrowing factor. Our starting point is the Ansatz that the diagonal spectral density is composed of three peaks while the off-diagonal spectral functional is composed of two. The third band, or upper Hubbard band, strongly renormalizes the other two, making the energy gap K dependent while the order parameter is pure s-wave. Our approach recuperates the BCS limit, weak coupling (U/t <<1) in a natural way. We solve these non-linear equations in a self-consistent way for intermediate coupling for U/t {approx} -4.0. Here we report the order parameter as function of temperature and compare it with the BCS result. (author)

Slave-boson method for the Hubbard model: Resonating-valence-bond state and high-temperature superconductivity

International Nuclear Information System (INIS)

Kapitonov, V.S.

1991-01-01

This paper offers a formulation of mean-field theory for the Hubbard model that is different from the one developed in the work of Anderson. The modified slave-boson method is used. The advantage of the method is that it is not necessary to exclude doubly occupied sites by using the approximately canonical transformation. In the proposed theory, Cooper pairs and the energy gap are a result of the condensation of the slave Bose field that describes doubly occupied sites. Here, the modified slave-boson method is used to describe the metal-insulator and metal-superconductor phase transitions in the Hubbard model. Expressions are derived for the energy gap and phase-transition temperature

Thermalization after an interaction quench in the Hubbard model.

Science.gov (United States)

Eckstein, Martin; Kollar, Marcus; Werner, Philipp

2009-07-31

We use nonequilibrium dynamical mean-field theory to study the time evolution of the fermionic Hubbard model after an interaction quench. Both in the weak-coupling and in the strong-coupling regime the system is trapped in quasistationary states on intermediate time scales. These two regimes are separated by a sharp crossover at U(c)dyn=0.8 in units of the bandwidth, where fast thermalization occurs. Our results indicate a dynamical phase transition which should be observable in experiments on trapped fermionic atoms.

Analysis of the dynamical cluster approximation for the Hubbard model

OpenAIRE

Aryanpour, K.; Hettler, M. H.; Jarrell, M.

2002-01-01

We examine a central approximation of the recently introduced Dynamical Cluster Approximation (DCA) by example of the Hubbard model. By both analytical and numerical means we study non-compact and compact contributions to the thermodynamic potential. We show that approximating non-compact diagrams by their cluster analogs results in a larger systematic error as compared to the compact diagrams. Consequently, only the compact contributions should be taken from the cluster, whereas non-compact ...

Pairing tendencies in a two-orbital Hubbard model in one dimension

Energy Technology Data Exchange (ETDEWEB)

Patel, Niravkumar D. [The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Nocera, Adriana [The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Alvarez, Gonzalo [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Moreo, A. [The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Dagotto, Elbio R. [The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2017-07-31

The recent discovery of superconductivity under high pressure in the ladder compound BaFe2S3 has opened a new field of research in iron-based superconductors with focus on quasi-one-dimensional geometries. In this publication, using the density matrix renormalization group technique, we study a two-orbital Hubbard model defined in one-dimensional chains. Our main result is the presence of hole binding tendencies at intermediate Hubbard U repulsion and robust Hund coupling J_H / U = 0.25. Binding does not occur either in weak coupling or at very strong coupling. The pair-pair correlations that are dominant near half-filling, or of similar strength as the charge and spin correlation channels, involve hole-pair operators that are spin singlets, use nearest-neighbor sites, and employ different orbitals for each hole. As a result, the Hund coupling strength, presence of robust magnetic moments, and antiferromagnetic correlations among them are important for the binding tendencies found here.

The classical trigonometric r-matrix for the quantum-deformed Hubbard chain

Energy Technology Data Exchange (ETDEWEB)

Beisert, Niklas, E-mail: nbeisert@aei.mpg.de [Max-Planck-Institut fuer Gravitationsphysik, Albert-Einstein-Institut, Am Muehlenberg 1, 14476 Potsdam (Germany)

2011-07-01

The one-dimensional Hubbard model is an exceptional integrable spin chain which is apparently based on a deformation of the Yangian for the superalgebra gl(2|2). Here we investigate the quantum deformation of the Hubbard model in the classical limit. This leads to a novel classical r-matrix of trigonometric kind. We derive the corresponding one-parameter family of Lie bialgebras as a deformation of the affine gl(2|2) Kac-Moody superalgebra. In particular, we discuss the affine extension as well as discrete symmetries, and we scan for simpler limiting cases, such as the rational r-matrix for the undeformed Hubbard model.

On the SU(2)× SU(2) symmetry in the Hubbard model

Science.gov (United States)

Jakubczyk, Dorota; Jakubczyk, Paweł

2012-08-01

We discuss the one-dimensional Hubbard model, on finite sites spin chain, in context of the action of the direct product of two unitary groups SU(2)× SU(2). The symmetry revealed by this group is applicable in the procedure of exact diagonalization of the Hubbard Hamiltonian. This result combined with the translational symmetry, given as the basis of wavelets of the appropriate Fourier transforms, provides, besides the energy, additional conserved quantities, which are presented in the case of a half-filled, four sites spin chain. Since we are dealing with four elementary excitations, two quasiparticles called "spinons", which carry spin, and two other called "holon" and "antyholon", which carry charge, the usual spin- SU(2) algebra for spinons and the so called pseudospin-SU(2) algebra for holons and antiholons, provide four additional quantum numbers.

Effect of Inhomogeneity on s-wave Superconductivity in the Attractive Hubbard Model

Energy Technology Data Exchange (ETDEWEB)

Aryanpour, K. A. [University of California, Davis; Dagotto, Elbio R [ORNL; Mayr, Matthias [Max-Planck-Institut fur Feskorperforschung, Stuttgart, Germany; Paiva, T. [Universidade Federal do Rio de Janeiro, Brazil; Pickett, W. E. [University of California, Davis; Scalettar, Richard T [ORNL

2006-01-01

Inhomogeneous s-wave superconductivity is studied in the two-dimensional, square lattice attractive Hubbard Hamiltonian using the Bogoliubov-de Gennes BdG mean field approximation. We find that at weak coupling, and for densities mainly below half-filling, an inhomogeneous interaction in which the on-site interaction Ui takes on two values, Ui=0, 2U results in a larger zero temperature pairing amplitude, and that the superconducting Tc can also be significantly increased, relative to a uniform system with Ui=U on all sites. These effects are observed for stripe, checkerboard, and even random patterns of the attractive centers, suggesting that the pattern of inhomogeneity is unimportant. Monte Carlo calculations which reintroduce some of the fluctuations neglected within the BdG approach see the same effect, both for the attractive Hubbard model and a Hamiltonian with d-wave pairing symmetry.

Pseudogap and Fermi-Surface Topology in the Two-Dimensional Hubbard Model

Science.gov (United States)

Wu, Wei; Scheurer, Mathias S.; Chatterjee, Shubhayu; Sachdev, Subir; Georges, Antoine; Ferrero, Michel

2018-04-01

One of the distinctive features of hole-doped cuprate superconductors is the onset of a "pseudogap" below a temperature T* . Recent experiments suggest that there may be a connection between the existence of the pseudogap and the topology of the Fermi surface. Here, we address this issue by studying the two-dimensional Hubbard model with two distinct numerical methods. We find that the pseudogap only exists when the Fermi surface is holelike and that, for a broad range of parameters, its opening is concomitant with a Fermi-surface topology change from electronlike to holelike. We identify a common link between these observations: The polelike feature of the electronic self-energy associated with the formation of the pseudogap is found to also control the degree of particle-hole asymmetry, and hence the Fermi-surface topology transition. We interpret our results in the framework of an SU(2) gauge theory of fluctuating antiferromagnetism. We show that a mean-field treatment of this theory in a metallic state with U(1) topological order provides an explanation of this polelike feature and a good description of our numerical results. We discuss the relevance of our results to experiments on cuprates.

Mass-imbalanced ionic Hubbard chain

Science.gov (United States)

Sekania, Michael; Baeriswyl, Dionys; Jibuti, Luka; Japaridze, George I.

2017-07-01

A repulsive Hubbard model with both spin-asymmetric hopping (t↑≠t↓ ) and a staggered potential (of strength Δ ) is studied in one dimension. The model is a compound of the mass-imbalanced (t↑≠t↓ ,Δ =0 ) and ionic (t↑=t↓ ,Δ >0 ) Hubbard models, and may be realized by cold atoms in engineered optical lattices. We use mostly mean-field theory to determine the phases and phase transitions in the ground state for a half-filled band (one particle per site). We find that a period-two modulation of the particle (or charge) density and an alternating spin density coexist for arbitrary Hubbard interaction strength, U ≥0 . The amplitude of the charge modulation is largest at U =0 , decreases with increasing U and tends to zero for U →∞ . The amplitude for spin alternation increases with U and tends to saturation for U →∞ . Charge order dominates below a value Uc, whereas magnetic order dominates above. The mean-field Hamiltonian has two gap parameters, Δ↑ and Δ↓, which have to be determined self-consistently. For U Uc they have different signs, and for U =Uc one gap parameter jumps from a positive to a negative value. The weakly first-order phase transition at Uc can be interpreted in terms of an avoided criticality (or metallicity). The system is reluctant to restore a symmetry that has been broken explicitly.

Conductivite dans le modele de Hubbard bi-dimensionnel a faible couplage

Science.gov (United States)

Bergeron, Dominic

Le modele de Hubbard bi-dimensionnel (2D) est souvent considere comme le modele minimal pour les supraconducteurs a haute temperature critique a base d'oxyde de cuivre (SCHT). Sur un reseau carre, ce modele possede les phases qui sont communes a tous les SCHT, la phase antiferromagnetique, la phase supraconductrice et la phase dite du pseudogap. Il n'a pas de solution exacte, toutefois, plusieurs methodes approximatives permettent d'etudier ses proprietes de facon numerique. Les proprietes optiques et de transport sont bien connues dans les SCHT et sont donc de bonne candidates pour valider un modele theorique et aider a comprendre mieux la physique de ces materiaux. La presente these porte sur le calcul de ces proprietes pour le modele de Hubbard 2D a couplage faible ou intermediaire. La methode de calcul utilisee est l'approche auto-coherente a deux particules (ACDP), qui est non-perturbative et inclue l'effet des fluctuations de spin et de charge a toutes les longueurs d'onde. La derivation complete de l'expression de la conductivite dans l'approche ACDP est presentee. Cette expression contient ce qu'on appelle les corrections de vertex, qui tiennent compte des correlations entre quasi-particules. Pour rendre possible le calcul numerique de ces corrections, des algorithmes utilisant, entre autres, des transformees de Fourier rapides et des splines cubiques sont developpes. Les calculs sont faits pour le reseau carre avec sauts aux plus proches voisins autour du point critique antiferromagnetique. Aux dopages plus faibles que le point critique, la conductivite optique presente une bosse dans l'infrarouge moyen a basse temperature, tel qu'observe dans plusieurs SCHT. Dans la resistivite en fonction de la temperature, on trouve un comportement isolant dans le pseudogap lorsque les corrections de vertex sont negligees et metallique lorsqu'elles sont prises en compte. Pres du point critique, la resistivite est lineaire en T a basse temperature et devient

Alternating chain with Hubbard-type interactions: renormalization group analysis

International Nuclear Information System (INIS)

Buzatu, F. D.; Jackeli, G.

1998-01-01

A large amount of work has been devoted to the study of alternating chains for a better understanding of the high-T c superconductivity mechanism. The same phenomenon renewed the interest in the Hubbard model and in its one-dimensional extensions. In this work we investigate, using the Renormalization Group (RG) method, the effect of the Hubbard-type interactions on the ground-state properties of a chain with alternating on-site atomic energies. The one-particle Hamiltonian in the tight binding approximation corresponding to an alternating chain with two nonequivalent sites per unit cell can be diagonalized by a canonical transformation; one gets a two band model. The Hubbard-type interactions give rise to both intra- and inter-band couplings; however, if the gap between the two bands is sufficiently large and the system is more than half-filled, as for the CuO 3 chain occurring in high-T c superconductors, the last ones can be neglected in describing the low energy physics. We restrict our considerations to the Hubbard-type interactions (upper band) in the particular case of alternating on-site energies and equal hopping amplitudes. The standard RG analysis (second order) is done in terms of the g-constants describing the elementary processes of forward, backward and Umklapp scatterings: their expressions are obtained by evaluating the Hubbard-type interactions (upper band) at the Fermi points. Using the scaling to the exact soluble models Tomonaga-Luttinger and Luther-Emery, we can predict the low energy physics of our system. The ground-state phase diagrams in terms of the model parameters and at arbitrary band filling are determined, where four types of instabilities have been considered: Charge Density Waves (CDW), Spin Density Waves (SDW), Singlet Superconductivity (SS) and Triplet Superconductivity (TS). The 3/4-filled case in terms of some renormalized Hubbard constants is presented. The relevance of our analysis to the case of the undistorted 3/4-filled Cu

Coulomb matrix elements in multi-orbital Hubbard models.

Science.gov (United States)

Bünemann, Jörg; Gebhard, Florian

2017-04-26

Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.

Group theoretical classification of broken symmetry states of the two-fold degenerate Hubbard model on a triangular lattice

International Nuclear Information System (INIS)

Masago, Akira; Suzuki, Naoshi

2001-01-01

By a group theoretical procedure we derive the possible spontaneously broken-symmetry states for the two-fold degenerate Hubbard model on a two-dimensional triangular lattice. For ordering wave vectors corresponding to the points Γ and K in the first BZ we find 22 states which include 16 collinear and six non-collinear states. The collinear states include the usual SDW and CDW states which appear also in the single-band Hubbard model. The non-collinear states include exotic ordering states of orbitals and spins as well as the triangular arrangement of spins

Phase diagram of the Hubbard model with arbitrary band filling: renormalization group approach

International Nuclear Information System (INIS)

Cannas, Sergio A.; Cordoba Univ. Nacional; Tsallis, Constantino.

1991-01-01

The finite temperature phase diagram of the Hubbard model in d = 2 and d = 3 is calculated for arbitrary values of the parameter U/t and chemical potential μ using a quantum real space renormalization group. Evidence for a ferromagnetic phase at low temperatures is presented. (author). 15 refs., 5 figs

Towards an understanding of the large-U Hubbard model and a theory for high-temperature superconductors

International Nuclear Information System (INIS)

Hsu, T.C.T.

1989-01-01

This thesis describes work on a large-U Hubbard model theory for high temperature superconductors. After an introduction to recent developments in the field, the author reviews experimental results. At the same time he introduces the holon-spinon model and comment on its successes and shortcomings. Using this heuristic model he then describes a holon pairing theory of superconductivity and list some experimental evidence for this interlayer coupling theory. The latter part of the thesis is devoted to projected fermion mean field theories. They are introduced by applying this theory and some recently developed computational techniques to anisotropic antiferromagnets. This scheme is shown to give quantitatively good results for the two dimensional square lattice Heisenberg AFM. The results have definite implications for a spinon theory of quantum antiferromagnets. Finally he studies flux phases and other variational prescriptions for obtaining low lying states of the Hubbard model

Competition between spin, charge, and bond waves in a Peierls-Hubbard model

International Nuclear Information System (INIS)

Venegas, P.A.; Henriquez, C.; Roessler, J.

1996-01-01

We study a one-dimensional extended Peierls-Hubbard model coupled to intracell and intercell phonons for a half-filled band. The calculations are made using the Hartree-Fock and adiabatic approximations for arbitrary temperature. In addition to static spin, charge, and bond density waves, we predict intermediate phases that lack inversion symmetry, and phase transitions that reduce symmetry on increasing temperature. copyright 1996 The American Physical Society

Fermi surface of the one-dimensional Hubbard model. Finite-size effects

Energy Technology Data Exchange (ETDEWEB)

Bourbonnais, C.; Nelisse, H.; Reid, A.; Tremblay, A.M.S. (Dept. de Physique and Centre de Recherche en Physique du Solide (C.R.P.S.), Univ. de Sherbrooke, Quebec (Canada))

1989-12-01

The results reported here, using a standard numerical algorithm and a simple low temperature extrapolation, appear consistent with numerical results of Sorella et al. for the one-dimensional Hubbard model in the half-filled and quarter-filled band cases. However, it is argued that the discontinuity at the Fermi level found in the quarter-filled case is likely to come from the zero-temperature finite-size dependence of the quasiparticle weight Z, which is also discussed here. (orig.).

Rigorous derivation of the mean-field green functions of the two-band Hubbard model of superconductivity

International Nuclear Information System (INIS)

Adam, G.; Adam, S.

2007-01-01

The Green function (GF) equation of motion technique for solving the effective two-band Hubbard model of high-T c superconductivity in cuprates rests on the Hubbard operator (HO) algebra. We show that, if we take into account the invariance to translations and spin reversal, the HO algebra results in invariance properties of several specific correlation functions. The use of these properties allows rigorous derivation and simplification of the expressions of the frequency matrix (FM) and of the generalized mean-field approximation (GMFA) Green functions (GFs) of the model. For the normal singlet hopping and anomalous exchange pairing correlation functions which enter the FM and GMFA-GFs, the use of spectral representations allows the identification and elimination of exponentially small quantities. This procedure secures the reduction of the correlation order to the GMFA-GF expressions

Ferromagnetism in the Hubbard model: a modified perturbation theory

International Nuclear Information System (INIS)

Gangadhar Reddy, G.; Ramakanth, A.; Nolting, W.

2005-01-01

We study the possibility of ferromagnetism in the Hubbard model using the modified perturbation theory. In this approach an Ansatz is made for the self-energy of the electron which contains the second order contribution developed around the Hartree-Fock solution and two parameters. The parameters are fixed by using a moment method. This self energy satisfies several known exact limiting cases. Using this self energy, the Curie temperature T c as a function of band filling n is investigated. It is found that T c falls off abruptly as n approaches half filling. The results are in qualitative agreement with earlier calculations using other approximation schemes. (author)

Filling-driven Mott transition in SU(N ) Hubbard models

Science.gov (United States)

Lee, Seung-Sup B.; von Delft, Jan; Weichselbaum, Andreas

2018-04-01

We study the filling-driven Mott transition involving the metallic and paramagnetic insulating phases in SU (N ) Fermi-Hubbard models, using the dynamical mean-field theory and the numerical renormalization group as its impurity solver. The compressibility shows a striking temperature dependence: near the critical end-point temperature, it is strongly enhanced in the metallic phase close to the insulating phase. We demonstrate that this compressibility enhancement is associated with the thermal suppression of the quasiparticle peak in the local spectral functions. We also explain that the asymmetric shape of the quasiparticle peak originates from the asymmetry in the dynamics of the generalized doublons and holons.

Exact diagonalization: the Bose-Hubbard model as an example

International Nuclear Information System (INIS)

Zhang, J M; Dong, R X

2010-01-01

We take the Bose-Hubbard model to illustrate exact diagonalization techniques in a pedagogical way. We follow the route of first generating all the basis vectors, then setting up the Hamiltonian matrix with respect to this basis and finally using the Lanczos algorithm to solve low lying eigenstates and eigenvalues. Emphasis is placed on how to enumerate all the basis vectors and how to use the hashing trick to set up the Hamiltonian matrix or matrices corresponding to other quantities. Although our route is not necessarily the most efficient one in practice, the techniques and ideas introduced are quite general and may find use in many other problems.

Numerical calculation of spectral functions of the Bose-Hubbard model using bosonic dynamical mean-field theory

Czech Academy of Sciences Publication Activity Database

Panas, J.; Kauch, Anna; Kuneš, Jan; Vollhardt, D.; Byczuk, K.

2015-01-01

Roč. 92, č. 4 (2015), "045102-1"-"045102-9" ISSN 1098-0121 Institutional support: RVO:68378271 Keywords : Bose-Hubbard model * Bose-Einstein condensation * superfluidity Subject RIV: BE - Theoretical Physics Impact factor: 3.736, year: 2014

Collective Kondo effect in the Anderson-Hubbard lattice

Science.gov (United States)

Fazekas, P.; Itai, K.

1997-02-01

The periodic Anderson model is extended by switching on a Hubbard U for the conduction electrons. We use the Gutzwiller variational method to study the nearly integral valent limit. The lattice Kondo energy contains the U-dependent chemical potential of the Hubbard subsystem in the exponent, and the correlation-induced band narrowing in the prefactor. Both effects tend to suppress the Kondo scale, which can be understood to result from the blocking of hybridization. At half-filling, we find a Brinkman-Rice-type transition from a Kondo insulator to a Mott insulator.

Unified one-band Hubbard model for magnetic and electronic spectra of the parent compounds of cuprate superconductors

Science.gov (United States)

Dalla Piazza, B.; Mourigal, M.; Guarise, M.; Berger, H.; Schmitt, T.; Zhou, K. J.; Grioni, M.; Rønnow, H. M.

2012-03-01

Using low-energy projection of the one-band t-t'-t'' Hubbard model we derive an effective spin Hamiltonian and its spin-wave expansion to order 1/S. We fit the spin-wave dispersion of several parent compounds to the high-temperature superconducting cuprates La2CuO4, Sr2CuO2Cl2, and Bi2Sr2YCu2O8. Our accurate quantitative determination of the one-band Hubbard model parameters allows prediction and comparison to experimental results. Among those we discuss the two-magnon Raman peak line shape, the K-edge resonant inelastic x-ray scattering 500-meV peak, and the high-energy kink in the angle-resolved photoemission spectroscopy quasiparticle dispersion, also known as the waterfall feature.

CHEMICAL REACTIONS ON ADSORBING SURFACE: KINETIC LEVEL OF DESCRIPTION

Directory of Open Access Journals (Sweden)

P.P.Kostrobii

2003-01-01

Full Text Available Based on the effective Hubbard model we suggest a statistical description of reaction-diffusion processes for bimolecular chemical reactions of gas particles adsorbed on the metallic surface. The system of transport equations for description of particles diffusion as well as reactions is obtained. We carry out the analysis of the contributions of all physical processes to the formation of diffusion coefficients and chemical reactions constants.

Coexistence of incommensurate magnetism and superconductivity in the two-dimensional Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Yamase, Hiroyuki [Max Planck Institute for Solid State Research, Stuttgart (Germany); National Institute for Materials Science, Tsukuba (Japan); Eberlein, Andreas [Max Planck Institute for Solid State Research, Stuttgart (Germany); Department of Physics, Harvard University, Cambridge (United States); Metzner, Walter [Max Planck Institute for Solid State Research, Stuttgart (Germany)

2016-07-01

We analyze the competition of magnetism and superconductivity in the two-dimensional Hubbard model with a moderate interaction strength, including the possibility of incommensurate spiral magnetic order. Using an unbiased renormalization group approach, we compute magnetic and superconducting order parameters in the ground state. In addition to previously established regions of Neel order coexisting with d-wave superconductivity, the calculations reveal further coexistence regions where superconductivity is accompanied by incommensurate magnetic order.

Intersite electron correlations in a Hubbard model on inhomogeneous lattices

International Nuclear Information System (INIS)

Takemori, Nayuta; Koga, Akihisa; Hafermann, Hartmut

2016-01-01

We study intersite electron correlations in the half-filled Hubbard model on square lattices with periodic and open boundary conditions by means of a real-space dual fermion approach. By calculating renormalization factors, we clarify that nearest-neighbor intersite correlations already significantly reduce the critical interaction. The Mott transition occurs at U/t ∼ 6.4, where U is the interaction strength and t is the hopping integral. This value is consistent with quantum Monte Carlo results. It shows the importance of short-range intersite correlations, which are taken into account in the framework of the real-space dual fermion approach. (paper)

Edge-Corrected Mean-Field Hubbard Model: Principle and Applications in 2D Materials

Directory of Open Access Journals (Sweden)

Xi Zhang

2017-05-01

Full Text Available This work reviews the current progress of tight-binding methods and the recent edge-modified mean-field Hubbard model. Undercoordinated atoms (atoms not fully coordinated exist at a high rate in nanomaterials with their impact overlooked. A quantum theory was proposed to calculate electronic structure of nanomaterials by incorporating bond order-length-strength (BOLS correlation to mean-field Hubbard model, i.e., BOLS-HM. Consistency between the BOLS-HM calculation and density functional theory (DFT calculation on 2D materials verified that (i bond contractions and potential well depression occur at the edge of graphene, phosphorene, and antimonene nanoribbons; (ii the physical origin of the band gap opening of graphene, phosphorene, and antimonene nanoribbons lays in the enhancement of edge potentials and hopping integrals due to the shorter and stronger bonds between undercoordinated atoms; (iii the band gap of 2D material nanoribbons expand as the width decreases due to the increasing under-coordination effects of edges which modulates the conductive behaviors; and (iv non-bond electrons at the edges and atomic vacancies of 2D material accompanied with the broken bond contribute to the Dirac-Fermi polaron (DFP with a local magnetic moment.

Two-particle excitations in the Hubbard model for high-temperature superconductors. A quantum cluster study

International Nuclear Information System (INIS)

Brehm, Sascha

2009-01-01

the INS data on magnetic properties further important new insights were gained recently via ARPES (Angle-Resolved Photoemission-Spectroscopy) and Raman experiments which disclosed a quite different doping dependence of the antinodal compared to the near-nodal gap. This thesis provides an approach to the Raman response similar to the magnetic case for inspecting this gap dichotomy. In agreement with experiments and one-particle data obtained in the VCA, we recover the antinodal gap decreasing and the near-nodal gap increasing as a function of doping. Hence, our results prove the Hubbard model to account for these salient gap features. In summary, we develop a two-particle cluster approach which is appropriate for the strongly-correlated regime and contains no free parameter. Our results obtained with this new approach combined with the phase diagram and the one-particle excitations obtained in the VCA strongly constitute a Hubbard model description of HTSC cuprate materials. (orig.)

Phase diagram of 2D Hubbard model by simulated annealing mean field approximation

International Nuclear Information System (INIS)

Kato, Masaru; Kitagaki, Takashi

1991-01-01

In order to investigate the stable magnetic structure of the Hubbard model on a square lattice, we utilize the dynamical simulated annealing method which proposed by R. Car and M. Parrinello. Results of simulations on a 10 x 10 lattice system with 80 electrons under assumption of collinear magnetic structure that the most stable state is incommensurate spin density wave state with periodic domain wall. (orig.)

Correlation effects of third-order perturbation in the extended Hubbard model

International Nuclear Information System (INIS)

Wei, G.Z.; Nie, H.Q.; Li, L.; Zhang, K.Y.

1989-01-01

Using the local approach, a third-order perturbation calculation has been performed to investigate the effects of intra-atomic electron correlation and electron and spin correlation between nearest neighbour sites in the extended Hubbard model. It was found that significant correction of the third order over the second order results and, in comparison with the results of the third-order perturbation where only the intra-atomic electron correlation is included, the influence of the electron and spin correlation between nearest neighbour sites on the correlation energy is non-negligible. 17 refs., 3 figs

Variational cluster perturbation theory for Bose-Hubbard models

International Nuclear Information System (INIS)

Koller, W; Dupuis, N

2006-01-01

We discuss the application of the variational cluster perturbation theory (VCPT) to the Mott-insulator-to-superfluid transition in the Bose-Hubbard model. We show how the VCPT can be formulated in such a way that it gives a translation invariant excitation spectrum-free of spurious gaps-despite the fact that it formally breaks translation invariance. The phase diagram and the single-particle Green function in the insulating phase are obtained for one-dimensional systems. When the chemical potential of the cluster is taken as a variational parameter, the VCPT reproduces the dimensional dependence of the phase diagram even for one-site clusters. We find a good quantitative agreement with the results of the density-matrix renormalization group when the number of sites in the cluster becomes of order 10. The extension of the method to the superfluid phase is discussed

Progress towards localization in the attractive Hubbard model

Science.gov (United States)

Morong, W.; Xu, W.; Demarco, B.

2017-04-01

The interplay between fermionic superfluidity and disorder is a topic of long-standing interest that has recently come within reach of ultracold gas experiments. Outstanding questions include the fate of Cooper pairs in a localized superfluid and the effect of disorder on the superfluid transition temperature. We report progress on tackling this problem using a realization of the Hubbard model with attractive interactions. Our system consists of two spin states of fermionic potassium-40 trapped in a cubic optical lattice. Disorder is introduced using an optical speckle potential, and interactions are controlled via a Feshbach resonance. We study the binding and unbinding of Cooper pairs in this system using rf spectroscopy, changes in Tc by measuring the condensate fraction, and transport properties by observing the response to an applied impulse. We will discuss progress towards these measurements.

Distinct solutions of infinite U Hubbard model through nested Bethe ansatz and Gutzwiller projection operator approach

International Nuclear Information System (INIS)

Mishra, A.K.; Kishore, R.

2009-01-01

The exact nested Bethe ansatz solution for the one dimensional (1-D) U infinity Hubbard model show that the state vectors are a product of spin-less fermion and spin wavefunctions, or an appropriate superposition of such factorized wavefunctions. The spin-less fermion component of the wavefunctions ensures no double occupancy at any site. It had been demonstrated that the nested Bethe ansatz wavefunctions in the U infinity limit obey orthofermi statistics. Gutzwiller projection operator formalism is the another well known technique employed to handle U infinity Hubbard model. In general, this approach does not lead to spin-less fermion wavefunctions. Therefore, the nested Bethe ansatz and Gutzwiller projection operator approach give rise to different kinds of the wavefunctions for the U infinity limit of 1-D Hubbard Hamiltonian. To compare the consequences of this dissimilarity in the wavefunctions, we have obtained the ground state energy of a finite system consisting of three particles on a four site closed chain. It is shown that in the nested Bethe ansatz implemented through orthofermion algebra, all the permissible 2 3 spin configurations are degenerate in the ground state. This eight fold degeneracy of the ground state is absent in the Gutzwiller projection operator approach. This finding becomes relevant in the context of known exact U infinity results, which require that all the energy levels are 2 N -fold degenerate for an N particle system.

Exact solution of the one-dimensional Hubbard model with arbitrary boundary magnetic fields

Energy Technology Data Exchange (ETDEWEB)

Li, Yuan-Yuan; Cao, Junpeng [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Yang, Wen-Li [Institute of Modern Physics, Northwest University, Xian 710069 (China); Beijing Center for Mathematics and Information Interdisciplinary Sciences, Beijing, 100048 (China); Shi, Kangjie [Institute of Modern Physics, Northwest University, Xian 710069 (China); Wang, Yupeng, E-mail: yupeng@iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

2014-02-15

The one-dimensional Hubbard model with arbitrary boundary magnetic fields is solved exactly via the Bethe ansatz methods. With the coordinate Bethe ansatz in the charge sector, the second eigenvalue problem associated with the spin sector is constructed. It is shown that the second eigenvalue problem can be transformed into that of the inhomogeneous XXX spin chain with arbitrary boundary fields which can be solved via the off-diagonal Bethe ansatz method.

Branner-Hubbard Motions and attracting dynamics

DEFF Research Database (Denmark)

Petersen, Carsten Lunde; Tan, Lei

2006-01-01

We introduce a new notion of attracting dynamics, which is related to polynomial-like mappings. Also we review the Branner-Hubbard Motion and study its action on attracting dynamics.......We introduce a new notion of attracting dynamics, which is related to polynomial-like mappings. Also we review the Branner-Hubbard Motion and study its action on attracting dynamics....

Branner-Hubbard motions and attracting dynamics

DEFF Research Database (Denmark)

Petersen, Carsten Lunde; Tan, Lei

We introduce the new notion an aatracting dynamics, which is related to polynomial-likke mappings. Also we review the Branner-Hubbard motion and study its action on attracting dynamics.......We introduce the new notion an aatracting dynamics, which is related to polynomial-likke mappings. Also we review the Branner-Hubbard motion and study its action on attracting dynamics....

Breakdown of quasiparticle picture in the low-density limit of the 1D Hubbard model

International Nuclear Information System (INIS)

Qin Shaojin; Qian Tiezheng; Su Zhaobin

1995-03-01

Using the finite-size scaling of results obtained by exact diagonalization, we study the low-density limit of the one-dimensional Hubbard model. Calculating the quasiparticle weight, we demonstrate that for a given particle number N and system size L, there always exists a crossover point U c separating the Fermi-liquid (U c ) and non-Fermi-liquid (U > U c ) regimes (U is the Hubbard repulsion). We find that for a fixed N, U c is inversely proportional to L, keeping U c L/t constant (with t as the hopping integral), as L is large enough. It follows that in the low-density (in fact vanishing density) limit L → ∞, U c → 0, so the system is always in non-Fermi-liquid regime as long as U > 0. We show that our numerical results are consistent with the Bethe ansatz solution. (author). 11 refs, 3 figs

Antiferromagnetism and d-wave superconductivity in the Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Krahl, H.C.

2007-07-25

The two-dimensional Hubbard model is a promising effective model for the electronic degrees of freedom in the copper-oxide planes of high temperature superconductors. We present a functional renormalization group approach to this model with focus on antiferromagnetism and d-wave superconductivity. In order to make the relevant degrees of freedom more explicitly accessible on all length scales, we introduce composite bosonic fields mediating the interaction between the fermions. Spontaneous symmetry breaking is reflected in a non-vanishing expectation value of a bosonic field. The emergence of a coupling in the d-wave pairing channel triggered by spin wave fluctuations is demonstrated. Furthermore, the highest temperature at which the interaction strength for the electrons diverges in the renormalization flow is calculated for both antiferromagnetism and d-wave superconductivity over a wide range of doping. This ''pseudo-critical'' temperature signals the onset of local ordering. Moreover, the temperature dependence of d-wave superconducting order is studied within a simplified model characterized by a single coupling in the d-wave pairing channel. The phase transition within this model is found to be of the Kosterlitz-Thouless type. (orig.)

Spiral magnetism in the single-band Hubbard model: the Hartree-Fock and slave-boson approaches.

Science.gov (United States)

Igoshev, P A; Timirgazin, M A; Gilmutdinov, V F; Arzhnikov, A K; Irkhin, V Yu

2015-11-11

The ground-state magnetic phase diagram is investigated within the single-band Hubbard model for square and different cubic lattices. The results of employing the generalized non-correlated mean-field (Hartree-Fock) approximation and generalized slave-boson approach by Kotliar and Ruckenstein with correlation effects included are compared. We take into account commensurate ferromagnetic, antiferromagnetic, and incommensurate (spiral) magnetic phases, as well as phase separation into magnetic phases of different types, which was often lacking in previous investigations. It is found that the spiral states and especially ferromagnetism are generally strongly suppressed up to non-realistically large Hubbard U by the correlation effects if nesting is absent and van Hove singularities are well away from the paramagnetic phase Fermi level. The magnetic phase separation plays an important role in the formation of magnetic states, the corresponding phase regions being especially wide in the vicinity of half-filling. The details of non-collinear and collinear magnetic ordering for different cubic lattices are discussed.

Critical behavior near the Mott transition in the half-filled asymmetric Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Hoang, Anh-Tuan, E-mail: hatuan@iop.vast.ac.vn [Institute of Physics, Vietnam Academy of Science and Technology, Hanoi (Viet Nam); Le, Duc-Anh [Faculty of Physics, Hanoi National University of Education, Xuan Thuy 136, Cau Giay, Hanoi 10000 (Viet Nam)

2016-03-15

We study the half-filled asymmetric Hubbard model within the two-site dynamical mean field theory. At zero temperature, explicit expressions of the critical interaction U{sub c} for the Mott transition and the local self-energy are analytically derived. Critical behavior of the quasiparticle weights and the double occupancy are obtained analytically as functions of the on-site interaction U and the hopping asymmetry r. Our results are in good agreement with the ones obtained by much more sophisticated theory.

Generalized Hubbard Hamiltonian: renormalization group approach

International Nuclear Information System (INIS)

Cannas, S.A.; Tamarit, F.A.; Tsallis, C.

1991-01-01

We study a generalized Hubbard Hamiltonian which is closed within the framework of a Quantum Real Space Renormalization Group, which replaces the d-dimensional hypercubic lattice by a diamond-like lattice. The phase diagram of the generalized Hubbard Hamiltonian is analyzed for the half-filled band case in d = 2 and d = 3. Some evidence for superconductivity is presented. (author). 44 refs., 12 figs., 2 tabs

L Ron Hubbard's science fiction quest against psychiatry.

Science.gov (United States)

Hirshbein, Laura

2016-12-01

Layfayette Ronald Hubbard (1911-1986) was a colourful and prolific American writer of science fiction in the 1930s and 1940s. During the time between his two decades of productivity and his return to science fiction in 1980, Hubbard founded the Church of Scientology. In addition to its controversial status as a religion and its troubling pattern of intimidation and litigation directed towards its foes, Scientology is well known as an organised opponent to psychiatry. This paper looks at Hubbard's science fiction work to help understand the evolution of Scientology's antipsychiatry stance, as well as the alternative to psychiatry offered by Hubbard. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/.

Dynamics of fermionic Hubbard models after interaction quenches in one and two dimensions

International Nuclear Information System (INIS)

Hamerla, Simone Anke

2013-10-01

In the last years the impressive progress on the experimental side led to a variety of new experiments allowing to address systems out of equilibrium. In this way the behavior of such systems far from equilibrium is no longer a purely theoretical issue but indeed observable. New experimental techniques, like particles trapped in optical lattices, render a realization of quantum systems with nearly arbitrary system parameters possible and provide a possibility to study their time evolution. Systems out of equilibrium are characterized by the fact, that these systems are in highly excited states giving rise to totally new fascinating properties. In the present thesis one- and two-dimensional fermionic Hubbard models out of equilibrium are discussed. The system is taken out of equilibrium by a so-called interaction quench. At the beginning the system is prepared in the groundstate of the non-interacting Hamiltonian. At a time t the interaction between the fermions is suddenly turned on so that the time evolution is governed by the whole, interacting Hamiltonian. Hence the system is prepared in the groundstate of one Hamiltonian but evolves according to a different Hamiltonian. Consequently the system ends up in a highly excited state. To describe such a system a method based on an expansion of the Heisenberg equations of motion to highest order possible is developed in this thesis. This method provides an exact description of the time evolution on short and intermediate time scales after the quench. As the method reveal exact results and does not rely on any perturbative assumption, a study of arbitrarily large interaction strengths is possible. Besides, the method is one of the few methods capable of two-dimensional systems. In the following the method used in this thesis is explained and advantages and disadvantages of the approach are thematized. For this purpose the results of the developed iterated equation of motion approach are compared to results obtained in

Dynamics of fermionic Hubbard models after interaction quenches in one and two dimensions

Energy Technology Data Exchange (ETDEWEB)

Hamerla, Simone Anke

2013-10-15

In the last years the impressive progress on the experimental side led to a variety of new experiments allowing to address systems out of equilibrium. In this way the behavior of such systems far from equilibrium is no longer a purely theoretical issue but indeed observable. New experimental techniques, like particles trapped in optical lattices, render a realization of quantum systems with nearly arbitrary system parameters possible and provide a possibility to study their time evolution. Systems out of equilibrium are characterized by the fact, that these systems are in highly excited states giving rise to totally new fascinating properties. In the present thesis one- and two-dimensional fermionic Hubbard models out of equilibrium are discussed. The system is taken out of equilibrium by a so-called interaction quench. At the beginning the system is prepared in the groundstate of the non-interacting Hamiltonian. At a time t the interaction between the fermions is suddenly turned on so that the time evolution is governed by the whole, interacting Hamiltonian. Hence the system is prepared in the groundstate of one Hamiltonian but evolves according to a different Hamiltonian. Consequently the system ends up in a highly excited state. To describe such a system a method based on an expansion of the Heisenberg equations of motion to highest order possible is developed in this thesis. This method provides an exact description of the time evolution on short and intermediate time scales after the quench. As the method reveal exact results and does not rely on any perturbative assumption, a study of arbitrarily large interaction strengths is possible. Besides, the method is one of the few methods capable of two-dimensional systems. In the following the method used in this thesis is explained and advantages and disadvantages of the approach are thematized. For this purpose the results of the developed iterated equation of motion approach are compared to results obtained in

Spin peierls instability against S-like anisotropic superconductivity in framework of the mean field RVB-Hubbard model

International Nuclear Information System (INIS)

Wrobel, P.; Jacak, L.

1988-01-01

It is shown theoretically that the superconducting transition in the framework of RVB mean field treatment in nearly half-filled band Hubbard model is substantially influenced by spin density wave instability. The reasonable SDW and SC ordering phase diagram for doped La 2 CuO 4 compounds is found

Rényi Entropies from Random Quenches in Atomic Hubbard and Spin Models

Science.gov (United States)

Elben, A.; Vermersch, B.; Dalmonte, M.; Cirac, J. I.; Zoller, P.

2018-02-01

We present a scheme for measuring Rényi entropies in generic atomic Hubbard and spin models using single copies of a quantum state and for partitions in arbitrary spatial dimensions. Our approach is based on the generation of random unitaries from random quenches, implemented using engineered time-dependent disorder potentials, and standard projective measurements, as realized by quantum gas microscopes. By analyzing the properties of the generated unitaries and the role of statistical errors, with respect to the size of the partition, we show that the protocol can be realized in existing quantum simulators and used to measure, for instance, area law scaling of entanglement in two-dimensional spin models or the entanglement growth in many-body localized systems.

Breaking of SU(4) symmetry and interplay between strongly-correlated phases in the Hubbard model

Czech Academy of Sciences Publication Activity Database

Golubeva, A.; Sotnikov, A.; Cichy, A.; Kuneš, Jan; Hofstetter, W.

2017-01-01

Roč. 95, č. 12 (2017), s. 1-7, č. článku 125108. ISSN 2469-9950 EU Projects: European Commission(XE) 646807 - EXMAG Institutional support: RVO:68378271 Keywords : Hubbard model * SU(4) Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 3.836, year: 2016

On Hubbard-Stratonovich transformations over hyperbolic domains

International Nuclear Information System (INIS)

Fyodorov, Yan V

2005-01-01

We discuss and prove the validity of the Hubbard-Stratonovich (HS) identities over hyperbolic domains which are used frequently in studies on disordered systems and random matrices. We also introduce a counterpart of the HS identity arising in disordered systems with 'chiral' symmetry. Apart from this we outline a way of deriving the nonlinear σ-model from the gauge-invariant Wegner k-orbital model avoiding the use of the HS transformations

Mott-Hubbard transition and Anderson localization: A generalized dynamical mean-field theory approach

International Nuclear Information System (INIS)

Kuchinskii, E. Z.; Nekrasov, I. A.; Sadovskii, M. V.

2008-01-01

The DOS, the dynamic (optical) conductivity, and the phase diagram of a strongly correlated and strongly disordered paramagnetic Anderson-Hubbard model are analyzed within the generalized dynamical mean field theory (DMFT + Σ approximation). Strong correlations are taken into account by the DMFT, and disorder is taken into account via an appropriate generalization of the self-consistent theory of localization. The DMFT effective single-impurity problem is solved by a numerical renormalization group (NRG); we consider the three-dimensional system with a semielliptic DOS. The correlated metal, Mott insulator, and correlated Anderson insulator phases are identified via the evolution of the DOS and dynamic conductivity, demonstrating both the Mott-Hubbard and Anderson metal-insulator transition and allowing the construction of the complete zero-temperature phase diagram of the Anderson-Hubbard model. Rather unusual is the possibility of a disorder-induced Mott insulator-to-metal transition

Hierarchical relaxation dynamics in a tilted two-band Bose-Hubbard model

Science.gov (United States)

Cosme, Jayson G.

2018-04-01

We numerically examine slow and hierarchical relaxation dynamics of interacting bosons described by a tilted two-band Bose-Hubbard model. The system is found to exhibit signatures of quantum chaos within the spectrum and the validity of the eigenstate thermalization hypothesis for relevant physical observables is demonstrated for certain parameter regimes. Using the truncated Wigner representation in the semiclassical limit of the system, dynamics of relevant observables reveal hierarchical relaxation and the appearance of prethermalized states is studied from the perspective of statistics of the underlying mean-field trajectories. The observed prethermalization scenario can be attributed to different stages of glassy dynamics in the mode-time configuration space due to dynamical phase transition between ergodic and nonergodic trajectories.

Antiferromagnetic order in the Hubbard model on the Penrose lattice

Science.gov (United States)

Koga, Akihisa; Tsunetsugu, Hirokazu

2017-12-01

We study an antiferromagnetic order in the ground state of the half-filled Hubbard model on the Penrose lattice and investigate the effects of quasiperiodic lattice structure. In the limit of infinitesimal Coulomb repulsion U →+0 , the staggered magnetizations persist to be finite, and their values are determined by confined states, which are strictly localized with thermodynamics degeneracy. The magnetizations exhibit an exotic spatial pattern, and have the same sign in each of cluster regions, the size of which ranges from 31 sites to infinity. With increasing U , they continuously evolve to those of the corresponding spin model in the U =∞ limit. In both limits of U , local magnetizations exhibit a fairly intricate spatial pattern that reflects the quasiperiodic structure, but the pattern differs between the two limits. We have analyzed this pattern change by a mode analysis by the singular value decomposition method for the fractal-like magnetization pattern projected into the perpendicular space.

High-accuracy energy formulas for the attractive two-site Bose-Hubbard model

Science.gov (United States)

Ermakov, Igor; Byrnes, Tim; Bogoliubov, Nikolay

2018-02-01

The attractive two-site Bose-Hubbard model is studied within the framework of the analytical solution obtained by the application of the quantum inverse scattering method. The structure of the ground and excited states is analyzed in terms of solutions of Bethe equations, and an approximate solution for the Bethe roots is given. This yields approximate formulas for the ground-state energy and for the first excited-state energy. The obtained formulas work with remarkable precision for a wide range of parameters of the model, and are confirmed numerically. An expansion of the Bethe state vectors into a Fock space is also provided for evaluation of expectation values, although this does not have accuracy similar to that of the energies.

Collapse and revival in inter-band oscillations of a two-band Bose-Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Ploetz, Patrick; Wimberger, Sandro [Institut fuer Theoretische Physik, Universitaet Heidelberg, Philosophenweg 19, 69120 Heidelberg (Germany); Madronero, Javier, E-mail: ploetz@thphys.uni-heidelberg.d [Physik Department, Technische Universitaet Muenchen, James-Franck-Str. 1, 85748 Garching (Germany)

2010-04-28

We study the effect of a many-body interaction on inter-band oscillations in a two-band Bose-Hubbard model with an external Stark force. Weak and strong inter-band oscillations are observed, where the latter arise from a resonant coupling of the bands. These oscillations collapse and revive due to a weak two-body interaction between the atoms. Effective models for oscillations in and out of resonance are introduced that provide predictions for the system's behaviour, particularly for the time scales for the collapse and revival of the resonant inter-band oscillations. (fast track communication)

Influence of spin and charge fluctuations on spectra of the two-dimensional Hubbard model

Science.gov (United States)

Sherman, A.

2018-05-01

The influence of spin and charge fluctuations on spectra of the two-dimensional fermionic Hubbard model is considered using the strong coupling diagram technique. Infinite sequences of diagrams containing ladder inserts, which describe the interaction of electrons with these fluctuations, are summed, and obtained equations are self-consistently solved for the ranges of Hubbard repulsions , temperatures and electron concentrations with t the intersite hopping constant. For all considered U the system exhibits a transition to the long-range antiferromagnetic order at . At the same time no indication of charge ordering is observed. Obtained solutions agree satisfactorily with results of other approaches and obey moments sum rules. In the considered region of the U-T plane, the curve separating metallic solutions passes from at the highest temperatures to U  =  2t at for half-filling. If only short-range fluctuations are allowed for the remaining part of this region is occupied by insulating solutions. Taking into account long-range fluctuations leads to strengthening of maxima tails, which transform a part of insulating solutions into bad-metal states. For low T, obtained results allow us to trace the gradual transition from the regime of strong correlations with the pronounced four-band structure and well-defined Mott gap for to the Slater regime of weak correlations with the spectral intensity having a dip along the boundary of the magnetic Brillouin zone due to an antiferromagnetic ordering for . For and doping leads to the occurrence of a pseudogap near the Fermi level, which is a consequence of the splitting out of a narrow band from a Hubbard subband. Obtained spectra feature waterfalls and Fermi arcs, which are similar to those observed in hole-doped cuprates.

Extended Bose Hubbard model of interacting bosonic atoms in optical lattices: From superfluidity to density waves

International Nuclear Information System (INIS)

Mazzarella, G.; Giampaolo, S. M.; Illuminati, F.

2006-01-01

For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian of the system in powers of the lattice parameters and of a scale parameter, the lattice attenuation factor. We identify the dominant terms that need to be retained in realistic experimental conditions, up to nearest-neighbor interactions and nearest-neighbor hoppings conditioned by the on-site occupation numbers. In the mean field approximation, we determine the free energy of the system and study the phase diagram both at zero and at finite temperature. At variance with the standard on site Bose Hubbard model, the zero-temperature phase diagram of the EBH model possesses a dual structure in the Mott insulating regime. Namely, for specific ranges of the lattice parameters, a density wave phase characterizes the system at integer fillings, with domains of alternating mean occupation numbers that are the atomic counterparts of the domains of staggered magnetizations in an antiferromagnetic phase. We show as well that in the EBH model, a zero-temperature quantum phase transition to pair superfluidity is, in principle, possible, but completely suppressed at the lowest order in the lattice attenuation factor. Finally, we determine the possible occurrence of the different phases as a function of the experimentally controllable lattice parameters

Magnetic excitation spectra of strongly correlated quasi-one-dimensional systems: Heisenberg versus Hubbard-like behavior

Science.gov (United States)

Nocera, A.; Patel, N. D.; Fernandez-Baca, J.; Dagotto, E.; Alvarez, G.

2016-11-01

We study the effects of charge degrees of freedom on the spin excitation dynamics in quasi-one-dimensional magnetic materials. Using the density matrix renormalization group method, we calculate the dynamical spin structure factor of the Hubbard model at half electronic filling on a chain and on a ladder geometry, and compare the results with those obtained using the Heisenberg model, where charge degrees of freedom are considered frozen. For both chains and two-leg ladders, we find that the Hubbard model spectrum qualitatively resembles the Heisenberg spectrum—with low-energy peaks resembling spinonic excitations—already at intermediate on-site repulsion as small as U /t ˜2 -3 , although ratios of peak intensities at different momenta continue evolving with increasing U /t converging only slowly to the Heisenberg limit. We discuss the implications of these results for neutron scattering experiments and we propose criteria to establish the values of U /t of quasi-one-dimensional systems described by one-orbital Hubbard models from experimental information.

Quantum critical behavior in three-dimensional one-band Hubbard model at half-filling

International Nuclear Information System (INIS)

Karchev, Naoum

2013-01-01

A one-band Hubbard model with hopping parameter t and Coulomb repulsion U is considered at half-filling. By means of the Schwinger bosons and slave fermions representation of the electron operators and integrating out the spin–singlet Fermi fields an effective Heisenberg model with antiferromagnetic exchange constant is obtained for vectors which identifies the local orientation of the spin of the itinerant electrons. The amplitude of the spin vectors is an effective spin of the itinerant electrons accounting for the fact that some sites, in the ground state, are doubly occupied or empty. Accounting adequately for the magnon–magnon interaction the Néel temperature is calculated. When the ratio t/U is small enough (t/U ≤0.09) the effective model describes a system of localized electrons. Increasing the ratio increases the density of doubly occupied states which in turn decreases the effective spin and Néel temperature. The phase diagram in the plane of temperature (T N )/U and parameter t/U is presented. The quantum critical point (T N =0) is reached at t/U =0.9. The magnons in the paramagnetic phase are studied and the contribution of the magnons’ fluctuations to the heat capacity is calculated. At the Néel temperature the heat capacity has a peak which is suppressed when the system approaches a quantum critical point. It is important to stress that, at half-filling, the ground state, determined by fermions, is antiferromagnetic. The magnon fluctuations drive the system to quantum criticality and when the effective spin is critically small these fluctuations suppress the magnetic order. -- Highlights: •Technique of calculation is introduced which permits us to study the magnons’ fluctuations. •Quantum critical point is obtained in the one-band 3D Hubbard model at half-filling. •The present analytical results supplement the numerical ones (see Fig. 7)

Exact many-electron ground states on diamond and triangle Hubbard chains

International Nuclear Information System (INIS)

Gulacsi, Zsolt; Kampf, Arno; Vollhardt, Dieter

2009-01-01

We construct exact ground states of interacting electrons on triangle and diamond Hubbard chains. The construction requires (1) a rewriting of the Hamiltonian into positive semidefinite form, (2) the construction of a many-electron ground state of this Hamiltonian, and (3) the proof of the uniqueness of the ground state. This approach works in any dimension, requires no integrability of the model, and only demands sufficiently many microscopic parameters in the Hamiltonian which have to fulfill certain relations. The scheme is first employed to construct exact ground state for the diamond Hubbard chain in a magnetic field. These ground states are found to exhibit a wide range of properties such as flat-band ferromagnetism and correlation induced metallic, half-metallic or insulating behavior, which can be tuned by changing the magnetic flux, local potentials, or electron density. Detailed proofs of the uniqueness of the ground states are presented. By the same technique exact ground states are constructed for triangle Hubbard chains and a one-dimensional periodic Anderson model with nearest-neighbor hybridization. They permit direct comparison with results obtained by variational techniques for f-electron ferromagnetism due to a flat band in CeRh 3 B 2 . (author)

Hubbard interaction in the arbitrary Chern number insulator: A mean-field study

Energy Technology Data Exchange (ETDEWEB)

Wang, Yi-Xiang, E-mail: wangyixiang@jiangnan.edu.cn [School of Science, Jiangnan University, Wuxi 214122 (China); Cao, Jie [College of Science, Hohai University, Nanjing 210098 (China)

2017-05-10

The low-dimensional electron gas owing topological property has attracted many interests recently. In this work, we study the influence of the electron-electron interaction on the arbitrary Chern number insulator. Using the mean-field method, we approximately solve the Hubbard model in the half-filling case and obtain the phase diagrams in different parametric spaces. We further verify the results by calculating the entanglement spectrum, which contains C chiral modes and corresponds to a real space partitioning. - Highlights: • In this work, we made a mean-field study of the Hubbard interaction in the arbitrary Chern number insulator. • We point out that how the Zeeman splitting, the local magnetization and the Hubbard interaction are intimately related. • The mean-field phase diagrams are obtained in different parametric spaces. • The Chern number phase is demonstrated by calculating the entanglement spectrum.

The two-hole ground state of the Hubbard-Anderson model, approximated by a variational RVB-type wave function

NARCIS (Netherlands)

Traa, M.R.M.J.; Traa, M.R.M.J.; Caspers, W.J.; Caspers, W.J.; Banning, E.J.; Banning, E.J.

1994-01-01

In this paper the Hubbard-Anderson model on a square lattice with two holes is studied. The ground state (GS) is approximated by a variational RVB-type wave function. The holes interact by exchange of a localized spin excitation (SE), which is created or absorbed if a hole moves to a

Phase separation of superconducting phases in the Penson–Kolb–Hubbard model

International Nuclear Information System (INIS)

Kapcia, Konrad Jerzy; Czart, Wojciech Robert; Ptok, Andrzej

2016-01-01

In this paper, we determine the phase diagrams (for T = 0 as well as T > 0) of the Penson–Kolb–Hubbard model for two dimensional square lattice within Hartree–Fock mean-field theory focusing on an investigation of superconducting phases and on a possibility of the occurrence of the phase separation. We obtain that the phase separation, which is a state of coexistence of two different superconducting phases (with s- and η-wave symmetries), occurs in definite ranges of the electron concentration. In addition, increasing temperature can change the symmetry of the superconducting order parameter (from η-wave into s-wave). The system considered exhibits also an interesting multicritical behaviour including bicritical points. The relevance of the results to experiments for real materials is also discussed. (author)

Phase Separation of Superconducting Phases in the Penson-Kolb-Hubbard Model

Science.gov (United States)

Jerzy Kapcia, Konrad; Czart, Wojciech Robert; Ptok, Andrzej

2016-04-01

In this paper, we determine the phase diagrams (for T = 0 as well as T > 0) of the Penson-Kolb-Hubbard model for two dimensional square lattice within Hartree-Fock mean-field theory focusing on an investigation of superconducting phases and on a possibility of the occurrence of the phase separation. We obtain that the phase separation, which is a state of coexistence of two different superconducting phases (with s- and η-wave symmetries), occurs in definite ranges of the electron concentration. In addition, increasing temperature can change the symmetry of the superconducting order parameter (from η-wave into s-wave). The system considered exhibits also an interesting multicritical behaviour including bicritical points. The relevance of the results to experiments for real materials is also discussed.

Des proprietes de l'etat normal du modele de Hubbard bidimensionnel

Science.gov (United States)

Lemay, Francois

Depuis leur decouverte, les etudes experimentales ont demontre que les supra-conducteurs a haute temperature ont une phase normale tres etrange. Les proprietes de ces materiaux ne sont pas bien decrites par la theorie du liquide de Fermi. Le modele de Hubbard bidimensionnel, bien qu'il ne soit pas encore resolu, est toujours considere comme un candidat pour expliquer la physique de ces composes. Dans cet ouvrage, nous mettons en evidence plusieurs proprietes electroniques du modele qui sont incompatibles avec l'existence de quasi-particules. Nous montrons notamment que la susceptibilite des electrons libres sur reseau contient des singularites logarithmiques qui influencent de facon determinante les proprietes de la self-energie a basse frequence. Ces singularites sont responsables de la destruction des quasi-particules. En l'absence de fluctuations antiferromagnetiques, elles sont aussi responsables de l'existence d'un petit pseudogap dans le poids spectral au niveau de Fermi. Les proprietes du modele sont egalement etudiees pour une surface de Fermi similaire a celle des supraconducteurs a haute temperature. Un parallele est etabli entre certaines caracteristiques du modele et celles de ces materiaux.

Selfenergy effect on the magnetic ordering transition in the mono- and bilayer honeycomb Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Honerkamp, Carsten [Institute for Theoretical Solid State Physics, RWTH Aachen University (Germany); JARA - Fundamentals of Future Information Technology, Aachen (Germany)

2017-11-15

We investigate the impact of electron self-energy corrections on potential antiferromagnetic ordering instabilities in mono- and bilayer graphene, modeled by a Hubbard-type lattice model with onsite interactions among the electrons, using a self-consistent random phase approximation (RPA). In qualitative agreement with earlier studies we find that the electronic interactions cause non-Fermi liquid behavior at low energies. In self-consistent RPA, the transition scales for antiferromagnetic ordering are renormalized significantly by these self-energy effects, both for interaction-driven and temperature-driven cases. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Phase diagram of the disordered Bose-Hubbard model

International Nuclear Information System (INIS)

Gurarie, V.; Pollet, L.; Prokof'ev, N. V.; Svistunov, B. V.; Troyer, M.

2009-01-01

We establish the phase diagram of the disordered three-dimensional Bose-Hubbard model at unity filling which has been controversial for many years. The theorem of inclusions, proven by Pollet et al. [Phys. Rev. Lett. 103, 140402 (2009)] states that the Bose-glass phase always intervenes between the Mott insulating and superfluid phases. Here, we note that assumptions on which the theorem is based exclude phase transitions between gapped (Mott insulator) and gapless phases (Bose glass). The apparent paradox is resolved through a unique mechanism: such transitions have to be of the Griffiths type when the vanishing of the gap at the critical point is due to a zero concentration of rare regions where extreme fluctuations of disorder mimic a regular gapless system. An exactly solvable random transverse field Ising model in one dimension is used to illustrate the point. A highly nontrivial overall shape of the phase diagram is revealed with the worm algorithm. The phase diagram features a long superfluid finger at strong disorder and on-site interaction. Moreover, bosonic superfluidity is extremely robust against disorder in a broad range of interaction parameters; it persists in random potentials nearly 50 (!) times larger than the particle half-bandwidth. Finally, we comment on the feasibility of obtaining this phase diagram in cold-atom experiments, which work with trapped systems at finite temperature.

About long range pairing correlations in the Hubbard U-t-t' models

International Nuclear Information System (INIS)

Moreo, A.

1991-01-01

Using a quantum Monte Carlo method the authors measured pair correlation functions with different symmetries as a function of the filling, U/t and t'/t for the Hubbard and U-t-t' models. For the first time the Monte Carlo results are presented for U/t larger than the bandwidth 8t, away from half-filling. D-wave and extended S-wave pairing correlations are enhanced. D-wave pairing is stronger at half-filling but this behavior is reversed when the filling decreases. However, none of the eight pairing correlations that were studied increases as a function of lattice size, which makes the existence of long range superconducting order unlikely. (author). 10 refs.; 5 figs

Investigation of a four-body coupling in the one-dimensional extended Penson-Kolb-Hubbard model

Science.gov (United States)

Ding, Hanqin; Ma, Xiaojuan; Zhang, Jun

2017-09-01

The experimental advances in cold fermion gases motivates the investigation of a one-dimensional (1D) correlated electronic system by incorporating a four-body coupling. Using the low-energy field theory scheme and focusing on the weak-coupling regime, we extend the 1D Penson-Kolb-Hubbard (PKH) model at half filling. It is found that the additional four-body interaction may significantly modify the quantum phase diagram, favoring the presence of the superconducting phase even in the case of two-body repulsions.

Luttinger and Hubbard sum rules: are they compatible?

International Nuclear Information System (INIS)

Matho, K.

1992-01-01

A so-called Hubbard sum rule determines the weight of a satellite in fermionic single-particle excitations with strong local repulsion (U→∞). Together with the Luttinger sum rule, this imposes two different energy scales on the remaining finite excitations. In the Hubbard chain, this has been identified microscopically as being due to a separation of spin and charge. (orig.)

Emergent low-energy bound states in the two-orbital Hubbard model

Science.gov (United States)

Núñez-Fernández, Y.; Kotliar, G.; Hallberg, K.

2018-03-01

A repulsive Coulomb interaction between electrons in different orbitals in correlated materials can give rise to bound quasiparticle states. We study the nonhybridized two-orbital Hubbard model with intra- (inter)orbital interaction U (U12) and different bandwidths using an improved dynamical mean-field theory numerical technique which leads to reliable spectra on the real energy axis directly at zero temperature. We find that a finite density of states at the Fermi energy in one band is correlated with the emergence of well-defined quasiparticle states at excited energies Δ =U -U12 in the other band. These excitations are interband holon-doublon bound states. At the symmetric point U =U12 , the quasiparticle peaks are located at the Fermi energy, leading to a simultaneous and continuous Mott transition settling a long-standing controversy.

Ground-state and spectral properties of an asymmetric Hubbard ladder

Science.gov (United States)

Abdelwahab, Anas; Jeckelmann, Eric; Hohenadler, Martin

2015-04-01

We investigate a ladder system with two inequivalent legs, namely, a Hubbard chain and a one-dimensional electron gas. Analytical approximations, the density-matrix renormalization group method, and continuous-time quantum Monte Carlo simulations are used to determine ground-state properties, gaps, and spectral functions of this system at half-filling. Evidence for the existence of four different phases as a function of the Hubbard interaction and the rung hopping is presented. First, a Luttinger liquid exists at very weak interchain hopping. Second, a Kondo-Mott insulator with spin and charge gaps induced by an effective rung exchange coupling is found at moderate interchain hopping or strong Hubbard interaction. Third, a spin-gapped paramagnetic Mott insulator with incommensurate excitations and pairing of doped charges is observed at intermediate values of the rung hopping and the interaction. Fourth, the usual correlated band insulator is recovered for large rung hopping. We show that the wave numbers of the lowest single-particle excitations are different in each insulating phase. In particular, the three gapped phases exhibit markedly different spectral functions. We discuss the relevance of asymmetric two-leg ladder systems as models for atomic wires deposited on a substrate.

Magnetic and superconducting competition within the Hubbard dimer. Exact solution

International Nuclear Information System (INIS)

Matlak, M.; Slomska, T.; Grabiec, B.

2005-01-01

We express the Hubbard dimer Hamiltonian H d =Σ 16 α=1 E α vertical stroke E α right angle left angle E α vertical stroke in the second quantization with the use of the Hubbard and spin operators. We consider the case of positive and negative U. We decompose the resulting Hamiltonian into several parts collecting all the terms belonging to the same energy level. Such a decomposition visualizes explicitly all intrinsic interactions competing together and deeply hidden in the original form of the dimer Hamiltonian. Among them are competitive ferromagnetic and antiferromagnetic interactions. There are also hopping terms present which describe Cooper pairs hopping between sites 1 and 2 with positive and negative coupling constants (similar as in Kulik-Pedan, Penson-Kolb models). We show that the competition between intrinsic interactions strongly depends on the model parameters and the averaged occupation number of electrons n element of [0, 4] resulting in different regimes of the model (as e.g. t-J model regime, etc.). (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Hubbard physics in the PAW GW approximation

Energy Technology Data Exchange (ETDEWEB)

Booth, J. M., E-mail: jamie.booth@rmit.edu.au; Smith, J. S.; Russo, S. P. [Theoretical Chemical and Quantum Physics, School of Science, RMIT University, Melbourne, VIC (Australia); Drumm, D. W. [Theoretical Chemical and Quantum Physics, School of Science, RMIT University, Melbourne, VIC (Australia); Australian Research Council Centre of Excellence for Nanoscale BioPhotonics, School of Science, RMIT University, Melbourne, VIC (Australia); Casey, P. S. [CSIRO Manufacturing, Clayton, VIC (Australia)

2016-06-28

It is demonstrated that the signatures of the Hubbard Model in the strongly interacting regime can be simulated by modifying the screening in the limit of zero wavevector in Projector-Augmented Wave GW calculations for systems without significant nesting. This modification, when applied to the Mott insulator CuO, results in the opening of the Mott gap by the splitting of states at the Fermi level into upper and lower Hubbard bands, and exhibits a giant transfer of spectral weight upon electron doping. The method is also employed to clearly illustrate that the M{sub 1} and M{sub 2} forms of vanadium dioxide are fundamentally different types of insulator. Standard GW calculations are sufficient to open a gap in M{sub 1} VO{sub 2}, which arise from the Peierls pairing filling the valence band, creating homopolar bonds. The valence band wavefunctions are stabilized with respect to the conduction band, reducing polarizability and pushing the conduction band eigenvalues to higher energy. The M{sub 2} structure, however, opens a gap from strong on-site interactions; it is a Mott insulator.

Spectral properties of an extended Hubbard ladder with long range anti-ferromagnetic order

Science.gov (United States)

Yang, Chun; Feiguin, Adrian

We study the spectral properties of a Hubbard ladder with anti-ferromagnetic long range order by introducing a staggered Heisenberg interaction that decays algebraically. Unlike an alternating field or the t -Jz model, our problem preserves both SU (2) and translational invariance. We solve the problem with the time-dependent density matrix renormalization group and analyze the binding between holons and spinons and the structure of the elementary excitations. We discuss the implications in the context of the 2D Hubbard model at, and away from half-filling by using cluster perturbation theory (CPT). AF acknowledges the U.S. Department of Energy, Office of Basic Energy Sciences, for support under Grant DE-SC0014407.

Algebra of orthofermions and equivalence of their thermodynamics to the infinite U Hubbard model

International Nuclear Information System (INIS)

Kishore, R.; Mishra, A.K.

2006-01-01

The equivalence of thermodynamics of independent orthofermions to the infinite U Hubbard model, shown earlier for the one-dimensional infinite lattice, has been extended to a finite system of two lattice sites. Regarding the algebra of orthofermions, the algebraic expressions for the number operator for a given spin and the spin raising (lowering) operators in the form of infinite series are rearranged in such a way that the ith term, having the form of an infinite series, of the number (spin raising (lowering)) operator represents the number (spin raising (lowering)) operator at the ith lattice site

Symmetry-projected variational approach to the one-dimensional Hubbard model

International Nuclear Information System (INIS)

Schmid, K.W.; Dahm, T.; Margueron, J.; Muether, H.

2005-01-01

We apply a variational method devised for the nuclear many-body problem to the one-dimensional Hubbard model with nearest neighbor hopping and periodic boundary conditions. The test wave function consist for each state out of a single Hartree-Fock determinant mixing all the sites (or momenta) as well as the spin projections of the electrons. Total spin and linear momentum are restored by projection methods before the variation. It is demonstrated that this approach reproduces the results of exact diagonalizations for half-filled N=12 and N=14 lattices not only for the energies and occupation numbers of the ground but also of the lowest excited states rather well. Furthermore, a system of ten electrons in an N=12 lattice is investigated and, finally, an N=30 lattice is studied. In addition to energies and occupation numbers we present the spectral functions computed with the help of the symmetry-projected wave functions as well

Interaction quantum quenches in the one-dimensional Fermi-Hubbard model

Science.gov (United States)

Heidrich-Meisner, Fabian; Bauer, Andreas; Dorfner, Florian; Riegger, Luis; Orso, Giuliano

2016-05-01

We discuss the nonequilibrium dynamics in two interaction quantum quenches in the one-dimensional Fermi-Hubbard model. First, we study the decay of the Néel state as a function of interaction strength. We observe a fast charge dynamics over which double occupancies are built up, while the long-time decay of the staggered moment is controlled by spin excitations, corroborated by the analysis of the entanglement dynamics. Second, we investigate the formation of Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) correlations in a spin-imbalanced system in quenches from the noninteracting case to attractive interactions. Even though the quench puts the system at a finite energy density, peaks at the characteristic FFLO quasimomenta are visible in the quasi-momentum distribution function, albeit with an exponential decay of s-wave pairing correlations. We also discuss the imprinting of FFLO correlations onto repulsively bound pairs and their rapid decay in ramps. Supported by the DFG (Deutsche Forschungsgemeinschaft) via FOR 1807.

Fermi hyper-netted chain theory on a lattice: The Hubbard model

International Nuclear Information System (INIS)

Wang, X.Q.; Wang, X.Q.G.; Fantoni, S.; Tosatti, E.; Yu Lu.

1990-02-01

We review a new lattice version of Fermi Hyper-Netted Chain method for the study of strongly interacting electrons. The ordinary paramagnetic and the spin density wave functions have been correlated with Jastrow-type and e-d correlations, and the corresponding FHNC equations for the pair distribution function, the one body density matrix and the staggered magnetization are discussed. Results for the 1D chain and 2D square lattice models are presented and compared with the available results obtained within Quantum Monte Carlo, variational Monte Carlo and exact diagonalization of a 4x4 Hubbard cluster. Particularly interesting are the strong effects of e-d correlations on E/Nt and on the momentum distribution as well as antiferromagnetic behavior away from half filling found in our FHNC calculations in agreement with other studies. (author). 35 refs, 8 figs, 2 tabs

Dynamics of a quantum phase transition in the Bose-Hubbard model: Kibble-Zurek mechanism and beyond

Science.gov (United States)

Shimizu, Keita; Kuno, Yoshihito; Hirano, Takahiro; Ichinose, Ikuo

2018-03-01

In this paper, we study the dynamics of the Bose-Hubbard model by using time-dependent Gutzwiller methods. In particular, we vary the parameters in the Hamiltonian as a function of time, and investigate the temporal behavior of the system from the Mott insulator to the superfluid (SF) crossing a second-order phase transition. We first solve a time-dependent Schrödinger equation for the experimental setup recently done by Braun et al. [Proc. Natl. Acad. Sci. USA 112, 3641 (2015)] and show that the numerical and experimental results are in fairly good agreement. However, these results disagree with the Kibble-Zurek scaling. From our numerical study, we reveal a possible source of the discrepancy. Next, we calculate the critical exponents of the correlation length and vortex density in addition to the SF order parameter for a Kibble-Zurek protocol. We show that beside the "freeze" time t ̂, there exists another important time, teq, at which an oscillating behavior of the SF amplitude starts. From calculations of the exponents of the correlation length and vortex density with respect to a quench time τQ, we obtain a physical picture of a coarsening process. Finally, we study how the system evolves after the quench. We give a global picture of dynamics of the Bose-Hubbard model.

The MFA ground states for the extended Bose-Hubbard model with a three-body constraint

Science.gov (United States)

Panov, Yu. D.; Moskvin, A. S.; Vasinovich, E. V.; Konev, V. V.

2018-05-01

We address the intensively studied extended bosonic Hubbard model (EBHM) with truncation of the on-site Hilbert space to the three lowest occupation states n = 0 , 1 , 2 in frames of the S = 1 pseudospin formalism. Similar model was recently proposed to describe the charge degree of freedom in a model high-T c cuprate with the on-site Hilbert space reduced to the three effective valence centers, nominally Cu1+;2+;3+. With small corrections the model becomes equivalent to a strongly anisotropic S = 1 quantum magnet in an external magnetic field. We have applied a generalized mean-field approach and quantum Monte-Carlo technique for the model 2D S = 1 system with a two-particle transport to find the ground state phase with its evolution under deviation from half-filling.

Hubbard-U band-structure methods

DEFF Research Database (Denmark)

Albers, R.C.; Christensen, Niels Egede; Svane, Axel

2009-01-01

The last decade has seen a large increase in the number of electronic-structure calculations that involve adding a Hubbard term to the local-density approximation band-structure Hamiltonian. The Hubbard term is then determined either at the mean-field level or with sophisticated many......-body techniques such as using dynamical mean-field theory. We review the physics underlying these approaches and discuss their strengths and weaknesses in terms of the larger issues of electronic structure that they involve. In particular, we argue that the common assumptions made to justify such calculations...

Excitonic Order and Superconductivity in the Two-Orbital Hubbard Model: Variational Cluster Approach

Science.gov (United States)

Fujiuchi, Ryo; Sugimoto, Koudai; Ohta, Yukinori

2018-06-01

Using the variational cluster approach based on the self-energy functional theory, we study the possible occurrence of excitonic order and superconductivity in the two-orbital Hubbard model with intra- and inter-orbital Coulomb interactions. It is known that an antiferromagnetic Mott insulator state appears in the regime of strong intra-orbital interaction, a band insulator state appears in the regime of strong inter-orbital interaction, and an excitonic insulator state appears between them. In addition to these states, we find that the s±-wave superconducting state appears in the small-correlation regime, and the dx2 - y2-wave superconducting state appears on the boundary of the antiferromagnetic Mott insulator state. We calculate the single-particle spectral function of the model and compare the band gap formation due to the superconducting and excitonic orders.

Evolution of the low-energy excitation spectrum from the pure Hubbard ladder to the SO(5) ladder: A numerical study

International Nuclear Information System (INIS)

Duffy, D.; Haas, S.; Kim, E.

1998-01-01

The Hubbard Hamiltonian on a two-leg ladder is studied numerically using quantum Monte Carlo and exact diagonalization techniques. A rung interaction, V, is turned on such that the resulting model has an exact SO(5) symmetry when V=-U. The evolution of the low-energy excitation spectrum is presented from the pure Hubbard ladder to the SO(5) ladder. It is shown that the low-energy excitations in the pure Hubbard ladder have an approximate SO(5) symmetry. copyright 1998 The American Physical Society

Diagram analysis of the Hubbard model: Stationarity property of the thermodynamic potential

International Nuclear Information System (INIS)

Moskalenko, V. A.; Dohotaru, L. A.; Cebotari, I. D.

2010-01-01

The diagram approach proposed many years ago for the strongly correlated Hubbard model is developed with the aim to analyze the thermodynamic potential properties. A new exact relation between renormalized quantities such as the thermodynamic potential, the one-particle propagator, and the correlation function is established. This relation contains an additional integration of the one-particle propagator with respect to an auxiliary constant. The vacuum skeleton diagrams constructed from the irreducible Green's functions and tunneling propagator lines are determined and a special functional is introduced. The properties of this functional are investigated and its relation to the thermodynamic potential is established. The stationarity property of this functional with respect to first-order variations of the correlation function is demonstrated; as a consequence, the stationarity property of the thermodynamic potential is proved.

Hypergeometric continuation of divergent perturbation series: I. Critical exponents of the Bose–Hubbard model

International Nuclear Information System (INIS)

Sanders, Sören; Holthaus, Martin

2017-01-01

We study the connection between the exponent of the order parameter of the Mott insulator-to-superfluid transition occurring in the two-dimensional Bose–Hubbard model, and the divergence exponents of its one- and two-particle correlation functions. We find that at the multicritical points all divergence exponents are related to each other, allowing us to express the critical exponent in terms of one single divergence exponent. This approach correctly reproduces the critical exponent of the three-dimensional XY universality class. Because divergence exponents can be computed in an efficient manner by hypergeometric analytic continuation, our strategy is applicable to a wide class of systems. (paper)

Hypergeometric continuation of divergent perturbation series: I. Critical exponents of the Bose-Hubbard model

Science.gov (United States)

Sanders, Sören; Holthaus, Martin

2017-10-01

We study the connection between the exponent of the order parameter of the Mott insulator-to-superfluid transition occurring in the two-dimensional Bose-Hubbard model, and the divergence exponents of its one- and two-particle correlation functions. We find that at the multicritical points all divergence exponents are related to each other, allowing us to express the critical exponent in terms of one single divergence exponent. This approach correctly reproduces the critical exponent of the three-dimensional XY universality class. Because divergence exponents can be computed in an efficient manner by hypergeometric analytic continuation, our strategy is applicable to a wide class of systems.

Finite-temperature dynamics of the Mott insulating Hubbard chain

Science.gov (United States)

Nocera, Alberto; Essler, Fabian H. L.; Feiguin, Adrian E.

2018-01-01

We study the dynamical response of the half-filled one-dimensional Hubbard model for a range of interaction strengths U and temperatures T by a combination of numerical and analytical techniques. Using time-dependent density matrix renormalization group computations we find that the single-particle spectral function undergoes a crossover to a spin-incoherent Luttinger liquid regime at temperatures T ˜J =4 t2/U for sufficiently large U >4 t . At smaller values of U and elevated temperatures the spectral function is found to exhibit two thermally broadened bands of excitations, reminiscent of what is found in the Hubbard-I approximation. The dynamical density-density response function is shown to exhibit a finite-temperature resonance at low frequencies inside the Mott gap, with a physical origin similar to the Villain mode in gapped quantum spin chains. We complement our numerical computations by developing an analytic strong-coupling approach to the low-temperature dynamics in the spin-incoherent regime.

Algebraic approach to q-deformed supersymmetric variants of the Hubbard model with pair hoppings

International Nuclear Information System (INIS)

Arnaudon, D.

1997-01-01

Two quantum spin chains Hamiltonians with quantum sl(2/1) invariance are constructed. These spin chains define variants of the Hubbard model and describe electron models with pair hoppings. A cubic algebra that admits the Birman-Wenzl-Murakami algebra as a quotient allows exact solvability of the periodic chain. The two Hamiltonians, respectively built using the distinguished and the fermionic bases of U q (sl(2/1)) differ only in the boundary terms. They are actually equivalent, but the equivalence is non local. Reflection equations are solved to get exact solvability on open chains with non trivial boundary conditions. Two families of diagonal solutions are found. The centre and the s-Casimir of the quantum enveloping algebra of sl(2/1) appear as tools for the construction of exactly solvable Hamiltonians. (author)

Phase transitions in the Hubbard Hamiltonian

International Nuclear Information System (INIS)

Chaves, C.M.; Lederer, P.; Gomes, A.A.

1977-05-01

Phase transition in the isotropic non-degenerate Hubbard Hamiltonian within the renormalization group techniques is studied, using the epsilon = 4 - d expansion to first order in epsilon. The functional obtained from the Hubbard Hamiltonian displays full rotation symmetry and describes two coupled fields: a vector spin field, with n components and a non-soft scalar charge field. This coupling is pure imaginary, which has interesting consequences on the critical properties of this coupled field system. The effect of simple constraints imposed on the charge field is considered. The relevance of the coupling between the fields in producing Fisher renormalization of the critical exponents is discussed. The possible singularities introduced in the charge-charge correlation function by the coupling are also discussed

Fermionic Hubbard model with Rashba or Dresselhaus spin-orbit coupling

Science.gov (United States)

Sun, Fadi; Ye, Jinwu; Liu, Wu-Ming

2017-06-01

In this work, we investigate the possible dramatic effects of Rashba or Dresselhaus spin-orbit coupling (SOC) on the fermionic Hubbard model in a two-dimensional square lattice. In the strong coupling limit, it leads to the rotated antiferromagnetic Heisenberg model which is a new class of quantum spin model. For a special equivalent class, we identify a new spin-orbital entangled commensurate ground (Y-y) state subject to strong quantum fluctuations at T = 0. We evaluate the quantum fluctuations by the spin wave expansion up to order 1/{S}2. In some SOC parameter regimes, the Y-y state supports a massive relativistic incommensurate magnon (C-IC) with its two gap minima positions continuously tuned by the SOC parameters. The C-IC magnons dominate all the low temperature thermodynamic quantities and also lead to the separation of the peak positions between the longitudinal and the transverse spin structure factors. In the weak coupling limit, any weak repulsive interaction also leads to a weak Y-y state. There is only a crossover from the weak to the strong coupling. High temperature expansions of the specific heats in both weak and strong coupling are presented. The dramatic roles to be played by these C-IC magnons at generic SOC parameters or under various external probes are hinted at. Experimental applications to both layered noncentrosymmetric materials and cold atoms are discussed.

Thermodynamically consistent description of criticality in models of correlated electrons

Czech Academy of Sciences Publication Activity Database

Janiš, Václav; Kauch, Anna; Pokorný, Vladislav

2017-01-01

Roč. 95, č. 4 (2017), s. 1-14, č. článku 045108. ISSN 2469-9950 R&D Projects: GA ČR GA15-14259S Institutional support: RVO:68378271 Keywords : conserving approximations * Anderson model * Hubbard model * parquet equations Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.836, year: 2016

Phase diagram and topological phases in the triangular lattice Kitaev-Hubbard model

Science.gov (United States)

Li, Kai; Yu, Shun-Li; Gu, Zhao-Long; Li, Jian-Xin

2016-09-01

We study the half-filled Hubbard model on a triangular lattice with spin-dependent Kitaev-like hopping. Using the variational cluster approach, we identify five phases: a metallic phase, a non-coplanar chiral magnetic order, a 120° magnetic order, a nonmagnetic insulator (NMI), and an interacting Chern insulator (CI) with a nonzero Chern number. The transition from CI to NMI is characterized by the change of the charge gap from an indirect band gap to a direct Mott gap. Based on the slave-rotor mean-field theory, the NMI phase is further suggested to be a gapless Mott insulator with a spinon Fermi surface or a fractionalized CI with nontrivial spinon topology, depending on the strength of the Kitaev-like hopping. Our work highlights the rising field in which interesting phases emerge from the interplay between band topology and Mott physics.

Long-wavelength spin-effective actions for the infinite U Hubbard model

Science.gov (United States)

Braghin, Fábio L.

2013-04-01

The derivation of spin-effective actions is envisaged for the Hubbard model with infinite Coulomb repulsion for a very low concentration of holes with a slave fermion representation for electronic operators. For that, spinless charge variables (vacancies or holes) are integrated out and the resulting effective action at finite temperature is expanded up to the fourth order in the hopping term as proposed in reference [F.L. Braghin, A. Ferraz, E.A. Kochetov, Phys. Rev. B 78, 115109 (2008)] and, in a square lattice, the fourth order term is shown to have the structure of an extended gauge invariant J-Q model for localized spins. Two cases for which the resulting model is non trivial are analysed and they correspond basically to (1) holes hopping between two sub-lattices and (2) a time-dependent solution for the spinon variables in the square lattice. Whereas the first of these cases yields, at the leading order, an effective antiferromagnetic Heisenberg coupling for localized spins and the second one may lead either to ferromagnetic or antiferromagnetic effective coupling. In the second case, the ordering should appear rather in finite size domains and, although charge variables were integrated out, a subtle imbalance between charge degrees of freedom and spins should be at work.

Can disorder act as a chemical pressure? An optical study of the Hubbard model

Science.gov (United States)

Barman, H.; Laad, M. S.; Hassan, S. R.

2018-05-01

The optical properties have been studied using the dynamical mean-field theory on a disordered Hubbard model. Despite the fact that disorder turns a metal to an insulator in high dimensional correlated materials, we notice that it can enhance certain metallic behavior as if a chemical pressure is applied to the system resulting in an increase of the effective lattice bandwidth (BW). We study optical properties in such a scenario and compare results with experiments where the BW is changed through isovalent chemical substitution (keeping electron filling unaltered) and obtain remarkable similarities vindicating our claim. We also make the point that these similarities differ from some other forms of BW tuned optical effects.

Emergent Chiral Spin State in the Mott Phase of a Bosonic Kane-Mele-Hubbard Model

Science.gov (United States)

Plekhanov, Kirill; Vasić, Ivana; Petrescu, Alexandru; Nirwan, Rajbir; Roux, Guillaume; Hofstetter, Walter; Le Hur, Karyn

2018-04-01

Recently, the frustrated X Y model for spins 1 /2 on the honeycomb lattice has attracted a lot of attention in relation with the possibility to realize a chiral spin liquid state. This model is relevant to the physics of some quantum magnets. Using the flexibility of ultracold atom setups, we propose an alternative way to realize this model through the Mott regime of the bosonic Kane-Mele-Hubbard model. The phase diagram of this model is derived using bosonic dynamical mean-field theory. Focusing on the Mott phase, we investigate its magnetic properties as a function of frustration. We do find an emergent chiral spin state in the intermediate frustration regime. Using exact diagonalization we study more closely the physics of the effective frustrated X Y model and the properties of the chiral spin state. This gapped phase displays a chiral order, breaking time-reversal and parity symmetry, but is not topologically ordered (the Chern number is zero).

Approximation auto-coherente a deux particules, pseudogap et supraconductivite dans le modele de Hubbard attractif

Science.gov (United States)

Allen, Steve

2000-10-01

Dans cette these nous presentons une nouvelle methode non perturbative pour le calcul des proprietes d'un systeme de fermions. Notre methode generalise l'approximation auto-coherente a deux particules proposee par Vilk et Tremblay pour le modele de Hubbard repulsif. Notre methode peut s'appliquer a l'etude du comportement pre-critique lorsque la symetrie du parametre d'ordre est suffisamment elevee. Nous appliquons la methode au probleme du pseudogap dans le modele de Hubbard attractif. Nos resultats montrent un excellent accord avec les donnees Monte Carlo pour de petits systemes. Nous observons que le regime ou apparait le pseudogap dans le poids spectral a une particule est un regime classique renormalise caracterise par une frequence caracteristique des fluctuations supraconductrices inferieure a la temperature. Une autre caracteristique est la faible densite de superfluide de cette phase demontrant que nous ne sommes pas en presence de paires preformees. Les resultats obtenus semblent montrer que la haute symetrie du parametre d'ordre et la bidimensionalite du systeme etudie elargissent le domaine de temperature pour lequel le regime pseudogap est observe. Nous argumentons que ce resultat est transposable aux supraconducteurs a haute temperature critique ou le pseudogap apparait a des' temperatures beaucoup plus grandes que la temperature critique. La forte symetrie dans ces systemes pourraient etre reliee a la theorie SO(5) de Zhang. En annexe, nous demontrons un resultat tout recent qui permettrait d'assurer l'auto-coherence entre les proprietes a une et a deux particules par l'ajout d'une dynamique au vertex irreductible. Cet ajout laisse entrevoir la possibilite d'etendre la methode au cas d'une forte interaction.

Pairing and superconductivity from weak to strong coupling in the attractive Hubbard model

International Nuclear Information System (INIS)

Toschi, A; Barone, P; Capone, M; Castellani, C

2005-01-01

The finite-temperature phase diagram of the attractive Hubbard model is studied by means of the dynamical mean-field theory. We first consider the normal phase of the model by explicitly frustrating the superconducting ordering. In this case, we obtain a first-order pairing transition between a metallic phase and a paired phase formed by strongly coupled incoherent pairs. The transition line ends in a finite temperature critical point, but a crossover between two qualitatively different solutions still occurs at higher temperature. Comparing the superconducting- and the normal-phase solutions, we find that the superconducting instability always occurs before the pairing transition in the normal phase, i.e. T c > T pairing . Nevertheless, the high-temperature phase diagram at T > T c is still characterized by a crossover from a metallic phase to a preformed pair phase. We characterize this crossover by computing different observables that can be used to identify the pseudogap region, like the spin susceptibility, the specific heat and the single-particle spectral function

Off-site interaction effect in the Extended Hubbard Model with the SCRPA method

International Nuclear Information System (INIS)

Harir, S; Bennai, M; Boughaleb, Y

2007-01-01

The self consistent random phase approximation (SCRPA) and a direct analytical (DA) method are proposed to solve the Extended Hubbard Model (EHM) in one dimension (1D). We have considered an EHM including on-site and off-site interactions for closed chains in 1D with periodic boundary conditions. The comparison of the SCRPA results with the ones obtained by a DA approach shows that the SCRPA treats the problem of these closed chains in a rigorous manner. The analysis of the nearest-neighbour repulsion effect on the dynamics of our closed chains shows that this repulsive interaction between the electrons of the neighbouring atoms induces supplementary conductivity, since, the SCRPA energygap vanishes when these closed chains are governed by a strong repulsive on-site interaction and intermediate nearest-neighbour repulsion

TRILEX and G W +EDMFT approach to d -wave superconductivity in the Hubbard model

Science.gov (United States)

Vučičević, J.; Ayral, T.; Parcollet, O.

2017-09-01

We generalize the recently introduced TRILEX approach (TRiply irreducible local EXpansion) to superconducting phases. The method treats simultaneously Mott and spin-fluctuation physics using an Eliashberg theory supplemented by local vertex corrections determined by a self-consistent quantum impurity model. We show that, in the two-dimensional Hubbard model, at strong coupling, TRILEX yields a d -wave superconducting dome as a function of doping. Contrary to the standard cluster dynamical mean field theory (DMFT) approaches, TRILEX can capture d -wave pairing using only a single-site effective impurity model. We also systematically explore the dependence of the superconducting temperature on the bare dispersion at weak coupling, which shows a clear link between strong antiferromagnetic (AF) correlations and the onset of superconductivity. We identify a combination of hopping amplitudes particularly favorable to superconductivity at intermediate doping. Finally, we study within G W +EDMFT the low-temperature d -wave superconducting phase at strong coupling in a region of parameter space with reduced AF fluctuations.

On the particle-hole symmetry of the fermionic spinless Hubbard model in D=1

Directory of Open Access Journals (Sweden)

M.T. Thomaz

2014-06-01

Full Text Available We revisit the particle-hole symmetry of the one-dimensional (D=1 fermionic spinless Hubbard model, associating that symmetry to the invariance of the Helmholtz free energy of the one-dimensional spin-1/2 XXZ Heisenberg model, under reversal of the longitudinal magnetic field and at any finite temperature. Upon comparing two regimes of that chain model so that the number of particles in one regime equals the number of holes in the other, one finds that, in general, their thermodynamics is similar, but not identical: both models share the specific heat and entropy functions, but not the internal energy per site, the first-neighbor correlation functions, and the number of particles per site. Due to that symmetry, the difference between the first-neighbor correlation functions is proportional to the z-component of magnetization of the XXZ Heisenberg model. The results presented in this paper are valid for any value of the interaction strength parameter V, which describes the attractive/null/repulsive interaction of neighboring fermions.

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

OpenAIRE

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

2006-01-01

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

Momentum distribution critical exponents for one dimensional large U hubbard model in thermodynamic limit

International Nuclear Information System (INIS)

Qin Shaojin; Yu Lu.

1996-03-01

The critical exponent of the momentum distribution near k F , 3k F and 5k F are studied numerically for one-dimensional U → ∞ Hubbard model, using finite size systems and extrapolating them to the thermodynamic limit. Results at k F agree with earlier calculations, while at 3k F exponents less than 1 are obtained for finite size systems with extrapolation to 1 (regular behaviour) in the thermodynamic limit, in contrast to earlier analytic prediction 9/8. The distribution is regular at 5k F even for finite systems. The singularity near 3k F is interpreted as due to low energy excitations near 3k F in finite systems. (author). 18 refs, 4 figs, 1 tab

Absence of ballistic charge transport in the half-filled 1D Hubbard model

Science.gov (United States)

Carmelo, J. M. P.; Nemati, S.; Prosen, T.

2018-05-01

Whether in the thermodynamic limit of lattice length L → ∞, hole concentration mηz = - 2 Sηz/L = 1 -ne → 0, nonzero temperature T > 0, and U / t > 0 the charge stiffness of the 1D Hubbard model with first neighbor transfer integral t and on-site repulsion U is finite or vanishes and thus whether there is or there is no ballistic charge transport, respectively, remains an unsolved and controversial issue, as different approaches yield contradictory results. (Here Sηz = - (L -Ne) / 2 is the η-spin projection and ne =Ne / L the electronic density.) In this paper we provide an upper bound on the charge stiffness and show that (similarly as at zero temperature), for T > 0 and U / t > 0 it vanishes for mηz → 0 within the canonical ensemble in the thermodynamic limit L → ∞. Moreover, we show that at high temperature T → ∞ the charge stiffness vanishes as well within the grand-canonical ensemble for L → ∞ and chemical potential μ →μu where (μ -μu) ≥ 0 and 2μu is the Mott-Hubbard gap. The lack of charge ballistic transport indicates that charge transport at finite temperatures is dominated by a diffusive contribution. Our scheme uses a suitable exact representation of the electrons in terms of rotated electrons for which the numbers of singly occupied and doubly occupied lattice sites are good quantum numbers for U / t > 0. In contrast to often less controllable numerical studies, the use of such a representation reveals the carriers that couple to the charge probes and provides useful physical information on the microscopic processes behind the exotic charge transport properties of the 1D electronic correlated system under study.

Charge-spin-orbital dynamics of one-dimensional two-orbital Hubbard model

Energy Technology Data Exchange (ETDEWEB)

Onishi, Hiroaki [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan)

2010-01-15

We study the real-time evolution of a charge-excited state in a one-dimensional e{sub g}-orbital degenerate Hubbard model, by a time-dependent density-matrix renormalization group method. Considering a chain along the z direction, electrons hop between adjacent 3z{sup 2}-r{sup 2} orbitals, while x{sup 2}-y{sup 2} orbitals are localized. For the charge-excited state, a holon-doublon pair is introduced into the ground state at quarter filling. At initial time, there is no electron in a holon site, while a pair of electrons occupies 3z{sup 2}-r{sup 2} orbital in a doublon site. As the time evolves, the holon motion is governed by the nearest-neighbor hopping, but the electron pair can transfer between 3z{sup 2}-r{sup 2} orbital and x{sup 2}-y{sup 2} orbital through the pair hopping in addition to the nearest-neighbor hopping. Thus holon and doublon propagate at different speed due to the pair hopping that is characteristic of multi-orbital systems.

Phase transition in the non-degenerate Hubbard Hamiltonian

International Nuclear Information System (INIS)

Chaves, C.M.; Lederer, P.; Gomes, A.A.

1976-01-01

Phase transition in the isotropic non-degenerate Hubbard Hamiltonian within the renormalization group techniques, using the epsilon = 4 - d expansion to first order in epsilon, is studied. The functional obtained from the Hubbard Hamiltonian displays full rotation symmetry and describes two coupled fields: a vector spin field, with n components and a non-soft scalar charge field. The possibility of tricritical behavior then emerges. The effects of simple constraints imposed on the charge field is considered. The relevance of the coupling between the fields in producing Fisher renormalization of the critical exponents is discussed. The possible singularities introduced in the charge-charge correlation function by the coupling are also discussed

Magnetic field dependence of conductivity and effective mass of carriers in a model of Mott-Hubbard material

Directory of Open Access Journals (Sweden)

L.Didukh

2005-01-01

Full Text Available The effect of external magnetic field h on a static conductivity of Mott-Hubbard material which is described by the model with correlated hopping of electrons has been investigated. By means of canonical transformation, the effective Hamiltonian is obtained which takes into account strong intra-site Coulomb repulsion and correlated hopping. Using a variant of generalized Hartree-Fock approximation the single-electron Green function and quasiparticle energy spectrum of the model have been calculated. The static conductivity σ has been calculated as a function of h, electron concentration n and temperature T. The correlated hopping is shown to cause the electron-hole asymmetry of transport properties of narrow band materials.

Attractive Hubbard model: Homogeneous Ginzburg–Landau expansion and disorder

International Nuclear Information System (INIS)

Kuchinskii, E. Z.; Kuleeva, N. A.; Sadovskii, M. V.

2016-01-01

We derive a Ginzburg–Landau (GL) expansion in the disordered attractive Hubbard model within the combined Nozieres–Schmitt-Rink and DMFT+Σ approximation. Restricting ourselves to the homogeneous expansion, we analyze the disorder dependence of GL expansion coefficients for a wide range of attractive potentials U, from the weak BCS coupling region to the strong-coupling limit, where superconductivity is described by Bose–Einstein condensation (BEC) of preformed Cooper pairs. We show that for the a semielliptic “bare” density of states of the conduction band, the disorder influence on the GL coefficients A and B before quadratic and quartic terms of the order parameter, as well as on the specific heat discontinuity at the superconducting transition, is of a universal nature at any strength of the attractive interaction and is related only to the general widening of the conduction band by disorder. In general, disorder growth increases the values of the coefficients A and B, leading either to a suppression of the specific heat discontinuity (in the weak-coupling limit), or to its significant growth (in the strong-coupling region). However, this behavior actually confirms the validity of the generalized Anderson theorem, because the disorder dependence of the superconducting transition temperature T c , is also controlled only by disorder widening of the conduction band (density of states).

Superfluid drag in the two-component Bose-Hubbard model

Science.gov (United States)

Sellin, Karl; Babaev, Egor

2018-03-01

In multicomponent superfluids and superconductors, co- and counterflows of components have, in general, different properties. A. F. Andreev and E. P. Bashkin [Sov. Phys. JETP 42, 164 (1975)] discussed, in the context of He3/He4 superfluid mixtures, that interparticle interactions produce a dissipationless drag. The drag can be understood as a superflow of one component induced by phase gradients of the other component. Importantly, the drag can be both positive (entrainment) and negative (counterflow). The effect is known to have crucial importance for many properties of diverse physical systems ranging from the dynamics of neutron stars and rotational responses of Bose mixtures of ultracold atoms to magnetic responses of multicomponent superconductors. Although substantial literature exists that includes the drag interaction phenomenologically, only a few regimes are covered by quantitative studies of the microscopic origin of the drag and its dependence on microscopic parameters. Here we study the microscopic origin and strength of the drag interaction in a quantum system of two-component bosons on a lattice with short-range interaction. By performing quantum Monte Carlo simulations of a two-component Bose-Hubbard model we obtain dependencies of the drag strength on the boson-boson interactions and properties of the optical lattice. Of particular interest are the strongly correlated regimes where the ratio of coflow and counterflow superfluid stiffnesses can diverge, corresponding to the case of saturated drag.

Two-site Hubbard molecule with a spinless electron-positron pair

KAUST Repository

Cossu, Fabrizio

2012-12-19

We determine the eigenvalues of the two-site Hubbard molecule with one electron and one positron to describe the characteristics of electron-positron interactions in solids. While the effect of hopping is, in general, opposite to the effect of on-site interaction, we find a complex scenario for the electron-positron pair with a non-vanishing potential drop. We give analytical solutions and discuss the combined effects of the model parameters.

Two-site Hubbard molecule with a spinless electron-positron pair

KAUST Repository

Cossu, Fabrizio; Schuster, Cosima; Schwingenschlö gl, Udo

2012-01-01

We determine the eigenvalues of the two-site Hubbard molecule with one electron and one positron to describe the characteristics of electron-positron interactions in solids. While the effect of hopping is, in general, opposite to the effect of on-site interaction, we find a complex scenario for the electron-positron pair with a non-vanishing potential drop. We give analytical solutions and discuss the combined effects of the model parameters.

Similarities between the Hubbard and Periodic Anderson Models at Finite Temperatures

International Nuclear Information System (INIS)

Held, K.; Huscroft, C.; Scalettar, R. T.; McMahan, A. K.

2000-01-01

The single band Hubbard and the two band periodic Anderson Hamiltonians have traditionally been applied to rather different physical problems--the Mott transition and itinerant magnetism, and Kondo singlet formation and scattering off localized magnetic states, respectively. In this paper, we compare the magnetic and charge correlations, and spectral functions, of the two systems. We show quantitatively that they exhibit remarkably similar behavior, including a nearly identical topology of the finite temperature phase diagrams at half filling. We address potential implications of this for theories of the rare earth ''volume collapse'' transition. (c) 2000 The American Physical Society

Variational study of the stability of the Nagaoka state against single-spin flips in the two-dimensional t-t#prime# Hubbard model

International Nuclear Information System (INIS)

Bajdich, M.; Hlubina, R.

2001-01-01

Making use of variational wave functions of the Basile-Elser type we study the stability of the Nagaoka state against single-spin flips in the two-dimensional t-t#prime# Hubbard model for t#prime#/t∼0.5. In the low-density limit the variational estimate of the stability region of the Nagaoka state is in qualitative agreement with the predictions of the T-matrix approximation

Fermi-liquid to non-Fermi-liquid transition in a dynamical generalization of the CPA in a disordered Hubbard model

International Nuclear Information System (INIS)

Dasgupta, I.; Mookerjee, A.

1993-07-01

Based on the Augmented Space formalism proposed by one of us and a generalization of the alloy analogy, including the effect of the dynamics of the exchange bath, we show that a half-filled Hubbard model shows Fermi-liquid behaviour at low values of the interaction parameter U. This gives way to non-Fermi liquid behaviour at a critical U, where the system is still metallic. We also show that quenched disorder tends to lower this critical value of U. (author). 19 refs, 2 figs

SINGLE-BAND, TRIPLE-BAND, OR MULTIPLE-BAND HUBBARD MODELS

NARCIS (Netherlands)

ESKES, H; SAWATZKY, GA

1991-01-01

The relevance of different models, such as the one-band t-J model and the three-band Emery model, as a realistic description of the electronic structure of high-T(c) materials is discussed. Starting from a multiband approach using cluster calculations and an impurity approach, the following

Comparative DMFT study of the eg-orbital Hubbard model in thin films

Science.gov (United States)

Rüegg, Andreas; Hung, Hsiang-Hsuan; Gull, Emanuel; Fiete, Gregory A.

2014-02-01

Heterostructures of transition-metal oxides have emerged as a new route to engineer electronic systems with desired functionalities. Motivated by these developments, we study a two-orbital Hubbard model in a thin-film geometry confined along the cubic [001] direction using the dynamical mean-field theory. We contrast the results of two approximate impurity solvers (exact diagonalization and one-crossing approximation) to the results of the numerically exact continuous-time quantum Monte Carlo solver. Consistent with earlier studies, we find that the one-crossing approximation performs well in the insulating regime, while the advantage of the exact-diagonalization-based solver is more pronounced in the metallic regime. We then investigate various aspects of strongly correlated eg-orbital systems in thin-film geometries. In particular, we show how the interfacial orbital polarization dies off quickly a few layers from the interface and how the film thickness affects the location of the interaction-driven Mott transition. In addition, we explore the changes in the electronic structure with varying carrier concentration and identify large variations of the orbital polarization in the strongly correlated regime.

Hubbard U calculations for gap states in dilute magnetic semiconductors.

Science.gov (United States)

Fukushima, T; Katayama-Yoshida, H; Sato, K; Bihlmayer, G; Mavropoulos, P; Bauer, D S G; Zeller, R; Dederichs, P H

2014-07-09

On the basis of constrained density functional theory, we present ab initio calculations for the Hubbard U parameter of transition metal impurities in dilute magnetic semiconductors, choosing Mn in GaN as an example. The calculations are performed by two methods: (i) the Korringa-Kohn-Rostoker (KKR) Green function method for a single Mn impurity in GaN and (ii) the full-potential linearized augmented plane-wave (FLAPW) method for a large supercell of GaN with a single Mn impurity in each cell. By changing the occupancy of the majority t2 gap state of Mn, we determine the U parameter either from the total energy differences E(N + 1) and E(N - 1) of the (N ± 1)-electron excited states with respect to the ground state energy E(N), or by using the single-particle energies for n(0) ± 1/2 occupancies around the charge-neutral occupancy n0 (Janak's transition state model). The two methods give nearly identical results. Moreover the values calculated by the supercell method agree quite well with the Green function values. We point out an important difference between the 'global' U parameter calculated using Janak's theorem and the 'local' U of the Hubbard model.

Attractive Hubbard model with disorder and the generalized Anderson theorem

International Nuclear Information System (INIS)

Kuchinskii, E. Z.; Kuleeva, N. A.; Sadovskii, M. V.

2015-01-01

Using the generalized DMFT+Σ approach, we study the influence of disorder on single-particle properties of the normal phase and the superconducting transition temperature in the attractive Hubbard model. A wide range of attractive potentials U is studied, from the weak coupling region, where both the instability of the normal phase and superconductivity are well described by the BCS model, to the strong-coupling region, where the superconducting transition is due to Bose-Einstein condensation (BEC) of compact Cooper pairs, formed at temperatures much higher than the superconducting transition temperature. We study two typical models of the conduction band with semi-elliptic and flat densities of states, respectively appropriate for three-dimensional and two-dimensional systems. For the semi-elliptic density of states, the disorder influence on all single-particle properties (e.g., density of states) is universal for an arbitrary strength of electronic correlations and disorder and is due to only the general disorder widening of the conduction band. In the case of a flat density of states, universality is absent in the general case, but still the disorder influence is mainly due to band widening, and the universal behavior is restored for large enough disorder. Using the combination of DMFT+Σ and Nozieres-Schmitt-Rink approximations, we study the disorder influence on the superconducting transition temperature T c for a range of characteristic values of U and disorder, including the BCS-BEC crossover region and the limit of strong-coupling. Disorder can either suppress T c (in the weak-coupling region) or significantly increase T c (in the strong-coupling region). However, in all cases, the generalized Anderson theorem is valid and all changes of the superconducting critical temperature are essentially due to only the general disorder widening of the conduction band

Implementation of the Lanczos algorithm for the Hubbard model on the Connection Machine system

International Nuclear Information System (INIS)

Leung, P.W.; Oppenheimer, P.E.

1992-01-01

An implementation of the Lanczos algorithm for the exact diagonalization of the two dimensional Hubbard model on a 4x4 square lattice on the Connection Machine CM-2 system is described. The CM-2 is a massively parallel machine with distributed memory. The program is written in C/PARIS. This implementation minimizes memory usage by generating the matrix elements as needed instead of storing them. The Lanczos vectors are stored across the local memory of the processors. Using translational symmetry only, the dimension of the Hilbert space at half filling is more than 10 million. A speed of about 2.4 min per iteration is achieved on a 64K CM-2. This implementation is scalable. Running it on a bigger machine with more processors speeds up the process. The performance analysis of this implementation is shown and discuss its advantages and disadvantages are discussed

Studies on entanglement entropy for Hubbard model with hole-doping and external magnetic field

International Nuclear Information System (INIS)

Yao, K.L.; Li, Y.C.; Sun, X.Z.; Liu, Q.M.; Qin, Y.; Fu, H.H.; Gao, G.Y.

2005-01-01

By using the density matrix renormalization group (DMRG) method for the one-dimensional (1D) Hubbard model, we have studied the von Neumann entropy of a quantum system, which describes the entanglement of the system block and the rest of the chain. It is found that there is a close relation between the entanglement entropy and properties of the system. The hole-doping can alter the charge-charge and spin-spin interactions, resulting in charge polarization along the chain. By comparing the results before and after the doping, we find that doping favors increase of the von Neumann entropy and thus also favors the exchange of information along the chain. Furthermore, we calculated the spin and entropy distribution in external magnetic filed. It is confirmed that both the charge-charge and the spin-spin interactions affect the exchange of information along the chain, making the entanglement entropy redistribute

Random-phase-approximation approach to optical and magnetic excitations in the two-dimensional multiband Hubbard model

International Nuclear Information System (INIS)

Yonemitsu, K.; Bishop, A.R.

1992-01-01

As a convenient qualitative approach to strongly correlated electronic systems, an inhomogeneous Hartree-Fock plus random-phase approximation is applied to response functions for the two-dimensional multiband Hubbard model for cuprate superconductors. A comparison of the results with those obtained by exact diagonalization by Wagner, Hanke, and Scalapino [Phys. Rev. B 43, 10 517 (1991)] shows that overall structures in optical and magnetic particle-hole excitation spectra are well reproduced by this method. This approach is computationally simple, retains conceptual clarity, and can be calibrated by comparison with exact results on small systems. Most importantly, it is easily extended to larger systems and straightforward to incorporate additional terms in the Hamiltonian, such as electron-phonon interactions, which may play a crucial role in high-temperature superconductivity

Propagation of quantum correlations after a quench in the Mott-insulator regime of the Bose-Hubbard model

International Nuclear Information System (INIS)

Krutitsky, Konstantin V.; Navez, Patrick; Schuetzhold, Ralf; Queisser, Friedemann

2014-01-01

We study a quantum quench in the Bose-Hubbard model where the tunneling rate J is suddenly switched from zero to a finite value in the Mott regime. In order to solve the many-body quantum dynamics far from equilibrium, we consider the reduced density matrices for a finite number of lattice sites and split them up into on-site density operators, i.e., the mean field, plus two-point and three-point correlations etc. Neglecting three-point and higher correlations, we are able to numerically simulate the time-evolution of the on-site density matrices and the two-point quantum correlations (e.g., their effective light-cone structure) for a comparably large number of lattice sites. (orig.)

Origami rules for the construction of localized eigenstates of the Hubbard model in decorated lattices

Science.gov (United States)

Dias, R. G.; Gouveia, J. D.

2015-11-01

We present a method of construction of exact localized many-body eigenstates of the Hubbard model in decorated lattices, both for U = 0 and U → ∞. These states are localized in what concerns both hole and particle movement. The starting point of the method is the construction of a plaquette or a set of plaquettes with a higher symmetry than that of the whole lattice. Using a simple set of rules, the tight-binding localized state in such a plaquette can be divided, folded and unfolded to new plaquette geometries. This set of rules is also valid for the construction of a localized state for one hole in the U → ∞ limit of the same plaquette, assuming a spin configuration which is a uniform linear combination of all possible permutations of the set of spins in the plaquette.

Functional-derivative study of the Hubbard model. III. Fully renormalized Green's function

International Nuclear Information System (INIS)

Arai, T.; Cohen, M.H.

1980-01-01

The functional-derivative method of calculating the Green's function developed earlier for the Hubbard model is generalized and used to obtain a fully renormalized solution. Higher-order functional derivatives operating on the basic Green's functions, G and GAMMA, are all evaluated explicitly, thus making the solution applicable to the narrow-band region as well as the wide-band region. Correction terms Phi generated from functional derivatives of equal-time Green's functions of the type delta/sup n/ /deltaepsilon/sup n/, etc., with n > or = 2. It is found that the Phi's are, in fact, renormalization factors involved in the self-energy Σ and that the structure of the Phi's resembles that of Σ and contains the same renormalization factors Phi. The renormalization factors Phi are shown to satisfy a set of equations and can be evaluated self-consistently. In the presence of the Phi's, all difficulties found in the previous results (papers I and II) are removed, and the energy spectrum ω can now be evaluated for all occupations n. The Schwinger relation is the only basic relation used in generating this fully self-consistent Green's function, and the Baym-Kadanoff continuity condition is automatically satisfied

Polaronic and bipolaronic structures in the adiabatic Hubbard-Hostein model involving 2 electrons and in its extensions; Structures polaroniques et bipolaroniques dans le modele de hostein hubbard adiabatique a deux electrons et ses extensions

Energy Technology Data Exchange (ETDEWEB)

Proville, L

1998-03-30

This thesis brings its contribution to the bipolaronic theory which might explain the origin of superconductivity at high temperature. A polaron is a quasiparticle made up of a localized electron and a deformation in the crystal structure. 2 electrons in singlet states localized on the same site form a bipolaron. Whenever the Coulomb repulsion between the 2 electrons is too strong bipolaron turns into 2 no bound polarons. We study the existence and the mobility of bipolarons. We describe the electron-phonon interaction by the Holstein term and the Coulomb repulsion by the Hubbard term. 2 assumptions are made: - the local electron-phonon interaction is strong and opposes the Coulomb repulsion between Hubbard type electrons - the system is close to the adiabatic limit. The system is reduced to 2 electrons in order to allow an exact treatment and the investigation of some bipolaronic bound states. At 2-dimensions the existence of bipolarons requires a very strong coupling which forbids any classical mobility. In some cases an important tunneling effect appears and we show that mobile bipolarons exist in a particular parameter range. Near the adiabatic limit we prove that polaronic and bipolaronic structures exist for a great number of electrons. (A.C.) 33 refs.

Simultaneous diagonal and off-diagonal order in the Bose-Hubbard Hamiltonian

International Nuclear Information System (INIS)

Scalettar, R.T.; Batrouni, G.G.; Kampf, A.P.; Zimanyi, G.T.

1995-01-01

The Bose-Hubbard model exhibits a rich phase diagram consisting both of insulating regimes where diagonal long-range (solid) order dominates as well as conducting regimes where off-diagonal long-range order (superfluidity) is present. In this paper we describe the results of quantum Monte Carlo calculations of the phase diagram, both for the hard- and soft-core cases, with a particular focus on the possibility of simultaneous superfluid and solid order. We also discuss the appearance of phase separation in the model. The simulations are compared with analytic calculations of the phase diagram and spin-wave dispersion

Damping at positive frequencies in the limit J⊥-->0 in the strongly correlated Hubbard model

Science.gov (United States)

Mohan, Minette M.

1992-08-01

I show damping in the two-dimensional strongly correlated Hubbard model within the retraceable-path approximation, using an expansion around dominant poles for the self-energy. The damping half-width ~J2/3z occurs only at positive frequencies ω>5/2Jz, the excitation energy of a pure ``string'' state of length one, where Jz is the Ising part of the superexchange interaction, and occurs even in the absence of spin-flip terms ~J⊥ in contrast to other theoretical treatments. The dispersion relation for both damped and undamped peaks near the upper band edge is found and is shown to have lost the simple J2/3z dependence characteristic of the peaks near the lower band edge. The position of the first three peaks near the upper band edge agrees well with numerical simulations on the t-J model. The weight of the undamped peaks near the upper band edge is ~J4/3z, contrasting with Jz for the weight near the lower band edge.

Realization of a scenario with two relaxation rates in the Hubbard Falicov-Kimball model

Science.gov (United States)

Barman, H.; Laad, M. S.; Hassan, S. R.

2018-02-01

A single transport relaxation rate governs the decay of both longitudinal and Hall currents in Landau Fermi liquids (FL). Breakdown of this fundamental feature, first observed in two-dimensional cuprates and subsequently in other three-dimensional correlated systems close to the Mott metal-insulator transition, played a pivotal role in emergence of a non-FL (NFL) paradigm in higher dimensions D (>1 ) . Motivated hereby, we explore the emergence of this "two relaxation rates" scenario in the Hubbard Falicov-Kimball model (HFKM) using the dynamical mean-field theory (DMFT). Specializing to D =3 , we find, beyond a critical Falicov-Kimball (FK) interaction, that two distinct relaxation rates governing distinct temperature (T ) dependence of the longitudinal and Hall currents naturally emerges in the NFL metal. Our results show good accord with the experiment in V2 -yO3 near the metal-to-insulator transition (MIT). We rationalize this surprising finding by an analytical analysis of the structure of charge and spin Hamiltonians in the underlying impurity problem, specifically through a bosonization method applied to the Wolff model and connecting it to the x-ray edge problem.

Non-Fermi Liquid Behavior and Continuously Tunable Resistivity Exponents in the Anderson-Hubbard Model at Finite Temperature

Energy Technology Data Exchange (ETDEWEB)

Patel, Niravkumar D. [The Univ. of Tennessee, Knoxville, TN (United States); Mukherjee, Anamitra [National Institute of Science Education and Research, Jatni (India); Kaushal, Nitin [The Univ. of Tennessee, Knoxville, TN (United States); Moreo, Adriana [The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Dagotto, Elbio R. [The Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2017-08-24

Here, we employ a recently developed computational many-body technique to study for the first time the half-filled Anderson-Hubbard model at finite temperature and arbitrary correlation U and disorder V strengths. Interestingly, the narrow zero temperature metallic range induced by disorder from the Mott insulator expands with increasing temperature in a manner resembling a quantum critical point. Our study of the resistivity temperature scaling T^α for this metal reveals non-Fermi liquid characteristics. Moreover, a continuous dependence of α on U and V from linear to nearly quadratic is observed. We argue that these exotic results arise from a systematic change with U and V of the “effective” disorder, a combination of quenched disorder and intrinsic localized spins.

Hole motion in the t-J and Hubbard models: Effect of a next-nearest-neighbor hopping

International Nuclear Information System (INIS)

Gagliano, E.; Bacci, S.; Dagotto, E.

1990-01-01

Using exact diagonalization techniques, we study one dynamical hole in the two-dimensional t-J and Hubbard models on a square lattice including a next-nearest-neighbor hopping t'. We present the phase diagram in the parameter space (J/t,t'/t), discussing the ground-state properties of the hole. At J=0, a crossing of levels exists at some value of t' separating a ferromagnetic from an antiferromagnetic ground state. For nonzero J, at least four different regions appear where the system behaves like an antiferromagnet or a (not fully saturated) ferromagnet. We study the quasiparticle behavior of the hole, showing that for small values of |t'| the previously presented string picture is still valid. We also find that, for a realistic set of parameters derived from the Cu-O Hamiltonian, the hole has momentum (π/2,π/2), suggesting an enhancement of the p-wave superconducting mode due to the second-neighbor interactions in the spin-bag picture. Results for the t-t'-U model are also discussed with conclusions similar to those of the t-t'-J model. In general we found that t'=0 is not a singular point of these models

Phase transitions in the hard-core Bose-Fermi-Hubbard model at non-zero temperatures in the heavy-fermion limit

Energy Technology Data Exchange (ETDEWEB)

Stasyuk, I.V.; Krasnov, V.O., E-mail: krasnoff@icmp.lviv.ua

2017-04-15

Phase transitions at non-zero temperatures in ultracold Bose- and Fermi-particles mixture in optical lattices using the Bose-Fermi-Hubbard model in the mean field and hard-core boson approximations are investigated. The case of infinitely small fermion transfer and the repulsive on-site boson-fermion interaction is considered. The possibility of change of order (from the 2nd to the 1st one) of the phase transition to the superfluid phase in the regime of fixed values of the chemical potentials of Bose- and Fermi-particles is established. The relevant phase diagrams determining the conditions at which such a change takes place, are built.

Characteristics of the Mott transition and electronic states of high-temperature cuprate superconductors from the perspective of the Hubbard model

Science.gov (United States)

Kohno, Masanori

2018-04-01

A fundamental issue of the Mott transition is how electrons behaving as single particles carrying spin and charge in a metal change into those exhibiting separated spin and charge excitations (low-energy spin excitation and high-energy charge excitation) in a Mott insulator. This issue has attracted considerable attention particularly in relation to high-temperature cuprate superconductors, which exhibit electronic states near the Mott transition that are difficult to explain in conventional pictures. Here, from a new viewpoint of the Mott transition based on analyses of the Hubbard model, we review anomalous features observed in high-temperature cuprate superconductors near the Mott transition.

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

International Nuclear Information System (INIS)

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

1993-01-01

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

Mapping the electron correlation onto a model Hamiltonian for Cs/GaAs(110): a Mott-Hubbard insulator at quarter filling

CERN Document Server

Chen Chang Feng

1998-01-01

We have constructed an effective model Hamiltonian in the Hubbard formalism for the Cs/GaAs(110) surface at quarter-monolayer coverage with all of the parameters extracted from constrained local-density-approximation (LDA) pseudopotential calculations. The single-particle excitation spectrum of the model has been calculated using an exact-diagonalization technique to help determine the relevant interaction terms. It is shown that the intersite interaction between the nearest-neighbour Ga sites plays the key role in determining the insulating nature of the system and must be included in the model, in contrast to suggestions of some previous work. Our results show that a reliable mapping of LDA results onto an effective model Hamiltonian can be achieved by combining constrained LDA calculations for the Hamiltonian parameters and many-body calculations of the single-particle excitation spectrum for identifying relevant interaction terms. (author)

Effects of geometrical frustration on ferromagnetism in the Hubbard model on the generalised Shastry-Sutherland lattice

Science.gov (United States)

Farkašovský, Pavol

2018-05-01

The small-cluster exact-diagonalization calculations and the projector quantum Monte Carlo method are used to examine the competing effects of geometrical frustration and interaction on ferromagnetism in the Hubbard model on the generalised Shastry-Sutherland lattice. It is shown that the geometrical frustration stabilizes the ferromagnetic state at high electron concentrations ( n ≳ 7/4), where strong correlations between ferromagnetism and the shape of the noninteracting density of states are observed. In particular, it is found that ferromagnetism is stabilized for these values of frustration parameters, which lead to the single-peaked noninterating density of states at the band edge. Once, two or more peaks appear in the noninteracting density of states at the band edge the ferromagnetic state is suppressed. This opens a new route towards the understanding of ferromagnetism in strongly correlated systems.

A pure Hubbard model with demonstrable pairing adjacent to the Mott-insulating phase

International Nuclear Information System (INIS)

Champion, J D; Long, M W

2003-01-01

We introduce a Hubbard model on a particular class of geometries, and consider the effect of doping the highly spin-degenerate Mott-insulating state with a microscopic number of holes in the extreme strong-coupling limit. The geometry is quite general, with pairs of atomic sites at each superlattice vertex, and a highly frustrated inter-atomic connectivity: the one-dimensional realization is a chain of edge-sharing tetrahedra. The sole model parameter is the ratio of intra-pair to inter-pair hopping matrix elements. If the intra-pair hopping is negligible then introducing a microscopic number of holes results in a ferromagnetic Nagaoka groundstate. Conversely, if the intra-pair hopping is comparable with the inter-pair hopping then the groundstate is low spin with short-ranged spin correlations. We exactly solve the correlated motion of a pair of holes in such a state and find that, in 1d and 2d, they form a bound pair on a length scale that increases with diminishing binding energy. This result is pertinent to the long-standing problem of hole motion in the CuO 2 planes of the high-temperature superconductors: we have rigorously shown that, on our frustrated geometry, the holes pair up and a short-ranged low-spin state is generated by hole motion alone

Phase diagram and re-entrant fermionic entanglement in a hybrid Ising-Hubbard ladder

Science.gov (United States)

Sousa, H. S.; Pereira, M. S. S.; de Oliveira, I. N.; Strečka, J.; Lyra, M. L.

2018-05-01

The degree of fermionic entanglement is examined in an exactly solvable Ising-Hubbard ladder, which involves interacting electrons on the ladder's rungs described by Hubbard dimers at half-filling on each rung, accounting for intrarung hopping and Coulomb terms. The coupling between neighboring Hubbard dimers is assumed to have an Ising-like nature. The ground-state phase diagram consists of four distinct regions corresponding to the saturated paramagnetic, the classical antiferromagnetic, the quantum antiferromagnetic, and the mixed classical-quantum phase. We have exactly computed the fermionic concurrence, which measures the degree of quantum entanglement between the pair of electrons on the ladder rungs. The effects of the hopping amplitude, the Coulomb term, temperature, and magnetic fields on the fermionic entanglement are explored in detail. It is shown that the fermionic concurrence displays a re-entrant behavior when quantum entanglement is being generated at moderate temperatures above the classical saturated paramagnetic ground state.

Multiple mobility edges in a 1D Aubry chain with Hubbard interaction in presence of electric field: Controlled electron transport

Science.gov (United States)

Saha, Srilekha; Maiti, Santanu K.; Karmakar, S. N.

2016-09-01

Electronic behavior of a 1D Aubry chain with Hubbard interaction is critically analyzed in presence of electric field. Multiple energy bands are generated as a result of Hubbard correlation and Aubry potential, and, within these bands localized states are developed under the application of electric field. Within a tight-binding framework we compute electronic transmission probability and average density of states using Green's function approach where the interaction parameter is treated under Hartree-Fock mean field scheme. From our analysis we find that selective transmission can be obtained by tuning injecting electron energy, and thus, the present model can be utilized as a controlled switching device.

Floquet Engineering of Correlated Tunneling in the Bose-Hubbard Model with Ultracold Atoms.

Science.gov (United States)

Meinert, F; Mark, M J; Lauber, K; Daley, A J; Nägerl, H-C

2016-05-20

We report on the experimental implementation of tunable occupation-dependent tunneling in a Bose-Hubbard system of ultracold atoms via time-periodic modulation of the on-site interaction energy. The tunneling rate is inferred from a time-resolved measurement of the lattice site occupation after a quantum quench. We demonstrate coherent control of the tunneling dynamics in the correlated many-body system, including full suppression of tunneling as predicted within the framework of Floquet theory. We find that the tunneling rate explicitly depends on the atom number difference in neighboring lattice sites. Our results may open up ways to realize artificial gauge fields that feature density dependence with ultracold atoms.

Hubbard-Stratonovich-like Transformations for Few-Body Inter-actions

Directory of Open Access Journals (Sweden)

Körber Christopher

2018-01-01

Full Text Available Through the development of many-body methodology and algorithms, it has become possible to describe quantum systems composed of a large number of particles with great accuracy. Essential to all these methods is the application of auxiliary fields via the Hubbard-Stratonovich transformation. This transformation effectively reduces two-body interactions to interactions of one particle with the auxiliary field, thereby improving the computational scaling of the respective algorithms. The relevance of collective phenomena and interactions grows with the number of particles. For many theories, e.g. Chiral Perturbation Theory, the inclusion of three-body forces has become essential in order to further increase the accuracy on the many-body level. In this proceeding, the an-alytical framework for establishing a Hubbard-Stratonovich-like transformation, which allows for the systematic and controlled inclusion of contact three-and more-body inter-actions, is presented.

Bose-Hubbard lattice as a controllable environment for open quantum systems

Science.gov (United States)

Cosco, Francesco; Borrelli, Massimo; Mendoza-Arenas, Juan José; Plastina, Francesco; Jaksch, Dieter; Maniscalco, Sabrina

2018-04-01

We investigate the open dynamics of an atomic impurity embedded in a one-dimensional Bose-Hubbard lattice. We derive the reduced evolution equation for the impurity and show that the Bose-Hubbard lattice behaves as a tunable engineered environment allowing one to simulate both Markovian and non-Markovian dynamics in a controlled and experimentally realizable way. We demonstrate that the presence or absence of memory effects is a signature of the nature of the excitations induced by the impurity, being delocalized or localized in the two limiting cases of a superfluid and Mott insulator, respectively. Furthermore, our findings show how the excitations supported in the two phases can be characterized as information carriers.

Studies on entanglement entropy for Hubbard model with hole-doping and external magnetic field [rapid communication

Science.gov (United States)

Yao, K. L.; Li, Y. C.; Sun, X. Z.; Liu, Q. M.; Qin, Y.; Fu, H. H.; Gao, G. Y.

2005-10-01

By using the density matrix renormalization group (DMRG) method for the one-dimensional (1D) Hubbard model, we have studied the von Neumann entropy of a quantum system, which describes the entanglement of the system block and the rest of the chain. It is found that there is a close relation between the entanglement entropy and properties of the system. The hole-doping can alter the charge charge and spin spin interactions, resulting in charge polarization along the chain. By comparing the results before and after the doping, we find that doping favors increase of the von Neumann entropy and thus also favors the exchange of information along the chain. Furthermore, we calculated the spin and entropy distribution in external magnetic filed. It is confirmed that both the charge charge and the spin spin interactions affect the exchange of information along the chain, making the entanglement entropy redistribute.

Polaronic and bipolaronic structures in the adiabatic Hubbard-Holstein model involving 2 electrons and its extensions

International Nuclear Information System (INIS)

Proville, L.

1998-01-01

This thesis brings its contribution to the bipolaronic theory which might explain the origin of superconductivity at high temperature. A polaron is a quasiparticle made up of a localized electron and a deformation in the crystal structure. 2 electrons in singlet states localized on the same site form a bipolaron. Whenever the Coulomb repulsion between the 2 electrons is too strong bipolaron turns into 2 no bound polarons. We study the existence and the mobility of bipolarons. We describe the electron-phonon interaction by the Holstein term and the Coulomb repulsion by the Hubbard term. 2 assumptions are made: - the local electron-phonon interaction is strong and opposes the Coulomb repulsion between Hubbard type electrons - the system is close to the adiabatic limit. The system is reduced to 2 electrons in order to allow an exact treatment and the investigation of some bipolaronic bound states. At 2-dimensions the existence of bipolarons requires a very strong coupling which forbids any classical mobility. In some cases an important tunneling effect appears and we show that mobile bipolarons exist in a particular parameter range. Near the adiabatic limit we prove that polaronic and bipolaronic structures exist for a great number of electrons. (A.C.)

Rationalization of the Hubbard U parameter in CeOx from first principles: Unveiling the role of local structure in screening

International Nuclear Information System (INIS)

Lu, Deyu; Liu, Ping

2014-01-01

The density functional theory (DFT)+U method has been widely employed in theoretical studies on various ceria systems to correct the delocalization bias in local and semi-local DFT functionals with moderate computational cost. We present a systematic and quantitative study, aiming to gain better understanding of the dependence of Hubbard U on the local atomic arrangement. To rationalize the Hubbard U of Ce 4f, we employed the first principles linear response method to compute Hubbard U for Ce in ceria clusters, bulks, and surfaces. We found that the Hubbard U varies in a wide range from 4.3 eV to 6.7 eV, and exhibits a strong correlation with the Ce coordination number and Ce–O bond lengths, rather than the Ce 4f valence state. The variation of the Hubbard U can be explained by the changes in the strength of local screening due to O → Ce intersite transitions

Quasiparticle band structure for the Hubbard systems: Application to α-CeAl2

International Nuclear Information System (INIS)

Costa-Quintana, J.; Lopez-Aguilar, F.; Balle, S.; Salvador, R.

1990-01-01

A self-energy formalism for determining the quasiparticle band structure of the Hubbard systems is deduced. The self-energy is obtained from the dynamically screened Coulomb interaction whose bare value is the correlation energy U. A method for integrating the Schroedingerlike equation with the self-energy operator is given. The method is applied to the cubic Laves phase of α-CeAl 2 because it is a clear Hubbard system with a very complex electronic structure and, moreover, this system provides us with sufficient experimental data for testing our method

Stability of the split-band solution and energy gap in the narrow-band region of the Hubbard model

International Nuclear Information System (INIS)

Arai, T.; Cohen, M.H.

1980-01-01

By inserting quasielectron energies ω calculated from the fully renormalized Green's function of the Hubbard model obtained in the preceding paper into the exact expression of Galitskii and Migdal, the ground-state energy, the chemical potential, and the dynamic- and thermodynamic-stability conditions are calculated in the narrow-band region. The results show that as long as the interaction energy I is finite, electrons in the narrow-band region do not obey the Landau theory of Fermi liquids, and a gap appears between the lowest quasielectron energy ω and the chemical potential μ for any occupation n, regardless of whether the lower band is exactly filled or not. This unusual behavior is possible because, when an electron is added to the system of N electrons, the whole system relaxes due to the strong interaction, introducing a relaxation energy difference between the two quantities. We also show that all previous solutions which exhibit the split-band structure, including Hubbard's work, yield the same conclusion that electrons do not behave like Landau quasiparticles. However, the energy gap is calculated to be negative at least for some occupations n, demonstrating the dynamic instability of those solutions. They also exhibit thermodynamic instability for certain occupations, while the fully renormalized solution, having sufficient electron correlations built in, satisfies the dynamic and thermodynamic stability conditions for all occupations. When the lower band is nearly filled, the nature of the solution is shown to change, making the coherent motion of electrons with fixed k values more difficult. In the pathological limit where I=infinity, however, the gap vanishes, yielding a metallic state

Gutzwiller variational wave function for a two-orbital Hubbard model on a square lattice

Energy Technology Data Exchange (ETDEWEB)

Muenster, Kevin Torben zu

2015-07-01

In this work, we formulated and applied the Gutzwiller variational many-body approach to multi-band Hubbard models. In chapter 1, we gave a short introduction to the problem and an outline of the scope of the work. In the chapter 2, we developed a complete, concise diagrammatic formalism for a perturbative evaluation of expectation values for Gutzwiller-correlated wave functions on finite lattices. The derivation of the diagrammatic expansion consists of three steps. In a first step, we introduced a one-to-one mapping between a sequence of fermion operators and their Hartree-Fock counterparts in order to eliminate all local contractions. We explicitly showed the consistency of the mapping. In a second step, we derived and applied the linked-cluster theorem. To this end, we expanded numerator and denominator in the Gutzwiller expectation value of one-site and two-site operators in terms of a perturbation series, and used Wick's theorem to express the coefficients in terms of diagrams. The introduction of the Hartree-Fock operators excludes all local contractions so that lines between identical lattice sites are zero by definition. The normal ordering of the operators and the sum over distinctive lattice sites permitted the introduction of Grassmann variables. For multi-band Gutzwiller wave functions, we had to introduce a formal representation of local operators in terms of an exponential series which led to a re-definition of the values of external and internal vertices. Then, the linked-cluster theorem applied, both for infinite and finite lattices, i.e., the unconnected diagrams in the numerator are canceled by the denominator. In this way, the nth-order in perturbation theory corresponds to summing all connected diagrams with n internal nodes. As a third and last step, we eliminated all internal nodes with two lines by fixing a subset of our variational parameters. We showed that, for our applications, this gauge fixing does not restrict the variational

Pseudogap and the specific heat of high Tc superconductors: a Hubbard model in a n-pole approximation

Science.gov (United States)

Calegari, E. J.; Lausmann, A. C.; Magalhaes, S. G.; Chaves, C. M.; Troper, A.

2015-03-01

In this work the specific heat of a two-dimensional Hubbard model, suitable to discuss high-Tc superconductors (HTSC), is studied taking into account hopping to first (t) and second (t2) nearest neighbors. Experimental results for the specific heat of HTSC's, for instance, the YBCO and LSCO, indicate a close relation between the pseudogap and the specific heat. In the present work, we investigate the specific heat by the Green's function method within a n-pole approximation. The specific heat is calculated on the pseudogap and on the superconducting regions. In the present scenario, the pseudogap emerges when the antiferromagnetic (AF) fluctuations become sufficiently strong. The specific heat jump coefficient Δγ decreases when the total occupation per site (nT) reaches a given value. Such behavior of Δγ indicates the presence of a pseudogap in the regime of high occupation.

Unconventional and intertwined orders of the low-dimensional Hubbard model

International Nuclear Information System (INIS)

Leprevost, Alexandre

2015-01-01

The understanding of superconductivity exhibited at high critical temperature by certain transition metal oxides remains a central issue in theoretical condensed matter physics. In this context, and since the historical proposal by P. W. Anderson, the repulsive Hubbard model in two dimensions became a paradigm in an attempt to capture the essential properties of non-conventional superconducting materials. However, the determination of the exact ground state encounters the exponential complexity of the quantum many-body problem. The main purpose of this thesis is to develop a variational scheme free of any hypothesis concerning magnetic, charge or superconducting orders likely to emerge from the Hamiltonian at low energy. The originality of the approach is found in the introduction of correlations by restoring, before variation, symmetries deliberately broken in a trial state given by a superposition of versatile wavefunctions of Hartree-Fock and Bogoliubov-de Gennes types. For small clusters of two and four sites, we show analytically that this symmetry entangled mean field method allows to find the exact ground state regardless of the strength of the on-site interaction. For larger hole-doped clusters and in the strongly correlated regime, we highlight an arrangement of magnetic moments in a spiral or in a spin density wave that is then accompanied by inhomogeneities in the form of regularly distributed stripes. Moreover, such orders are intertwined with long range d-wave pairing correlations, which, in the thermodynamic limit, sign superconductivity. These results are obtained through systematic simulations in a four-leg tube geometry that can be realized experimentally using cold atoms trapped in optical lattices. (author) [fr

CRAC2 model description

International Nuclear Information System (INIS)

Ritchie, L.T.; Alpert, D.J.; Burke, R.P.; Johnson, J.D.; Ostmeyer, R.M.; Aldrich, D.C.; Blond, R.M.

1984-03-01

The CRAC2 computer code is a revised version of CRAC (Calculation of Reactor Accident Consequences) which was developed for the Reactor Safety Study. This document provides an overview of the CRAC2 code and a description of each of the models used. Significant improvements incorporated into CRAC2 include an improved weather sequence sampling technique, a new evacuation model, and new output capabilities. In addition, refinements have been made to the atmospheric transport and deposition model. Details of the modeling differences between CRAC2 and CRAC are emphasized in the model descriptions

Heisenberg magnetic chain with single-ion easy-plane anisotropy: Hubbard operators approach

International Nuclear Information System (INIS)

Spirin, D.V.; Fridman, Y.A.

2003-01-01

We investigate the gap in excitation spectrum of one-dimensional S=1 ferro- and antiferromagnets with easy-plane single-ion anisotropy. The self-consistent modification of Hubbard operators approach which enables to account single-site term exactly is used. For antiferromagnetic model we found Haldane phase that exists up to point D=4J (where D is anisotropy parameter, J is exchange coupling), while quadrupolar phase realizes at larger values of anisotropy. Our results specify those of Golinelli et al. (Phys. Rev. B. 45 (1992) 9798), where similar model was studied. Besides the method gives gap value closer to numerical estimations than usual spin-wave theories

Quantum phase transitions of light in a dissipative Dicke-Bose-Hubbard model

Science.gov (United States)

Wu, Ren-Cun; Tan, Lei; Zhang, Wen-Xuan; Liu, Wu-Ming

2017-09-01

The impact that the environment has on the quantum phase transition of light in the Dicke-Bose-Hubbard model is investigated. Based on the quasibosonic approach, mean-field theory, and perturbation theory, the formulation of the Hamiltonian, the eigenenergies, and the superfluid order parameter are obtained analytically. Compared with the ideal cases, the order parameter of the system evolves with time as the photons naturally decay in their environment. When the system starts with the superfluid state, the dissipation makes the photons more likely to localize, and a greater hopping energy of photons is required to restore the long-range phase coherence of the localized state of the system. Furthermore, the Mott lobes depend crucially on the numbers of atoms and photons (which disappear) of each site, and the system tends to be classical with the number of atoms increasing; however, the atomic number is far lower than that expected under ideal circumstances. As there is an inevitable interaction between the coupled-cavity array and its surrounding environment in the actual experiments, the system is intrinsically dissipative. The results obtained here provide a more realistic image for characterizing the dissipative nature of quantum phase transitions in lossy platforms, which will offer valuable insight into quantum simulation of a dissipative system and which are helpful in guiding experimentalists in open quantum systems.

Quantum behaviour of open pumped and damped Bose-Hubbard trimers

Science.gov (United States)

Chianca, C. V.; Olsen, M. K.

2018-01-01

We propose and analyse analogs of optical cavities for atoms using three-well inline Bose-Hubbard models with pumping and losses. With one well pumped and one damped, we find that both the mean-field dynamics and the quantum statistics show a qualitative dependence on the choice of damped well. The systems we analyse remain far from equilibrium, although most do enter a steady-state regime. We find quadrature squeezing, bipartite and tripartite inseparability and entanglement, and states exhibiting the EPR paradox, depending on the parameter regimes. We also discover situations where the mean-field solutions of our models are noticeably different from the quantum solutions for the mean fields. Due to recent experimental advances, it should be possible to demonstrate the effects we predict and investigate in this article.

Stability of superfluid phases in the 2D spin-polarized attractive Hubbard model

Science.gov (United States)

Kujawa-Cichy, A.; Micnas, R.

2011-08-01

We study the evolution from the weak coupling (BCS-like limit) to the strong coupling limit of tightly bound local pairs (LPs) with increasing attraction, in the presence of the Zeeman magnetic field (h) for d=2, within the spin-polarized attractive Hubbard model. The broken symmetry Hartree approximation as well as the strong coupling expansion are used. We also apply the Kosterlitz-Thouless (KT) scenario to determine the phase coherence temperatures. For spin-independent hopping integrals (t↑=t↓), we find no stable homogeneous polarized superfluid (SCM) state in the ground state for the strong attraction and obtain that for a two-component Fermi system on a 2D lattice with population imbalance, phase separation (PS) is favoured for a fixed particle concentration, even on the LP (BEC) side. We also examine the influence of spin-dependent hopping integrals (mass imbalance) on the stability of the SCM phase. We find a topological quantum phase transition (Lifshitz type) from the unpolarized superfluid phase (SC0) to SCM and tricritical points in the h-|U| and t↑/t↓-|U| ground-state phase diagrams. We also construct the finite temperature phase diagrams for both t↑=t↓ and t↑≠t↓ and analyze the possibility of occurrence of a spin-polarized KT superfluid.

An exact solution to the extended Hubbard model in 2D for finite size system

Science.gov (United States)

Harir, S.; Bennai, M.; Boughaleb, Y.

2008-08-01

An exact analytical diagonalization is used to solve the two-dimensional extended Hubbard model (EHM) for a system with finite size. We have considered an EHM including on-site and off-site interactions with interaction energies U and V, respectively, for a square lattice containing 4×4 sites at one-eighth filling with periodic boundary conditions, recently treated by Kovacs and Gulacsi (2006 Phil. Mag. 86 2073). Taking into account the symmetric properties of this square lattice and using a translation linear operator, we have constructed a r-space basis only with 85 state-vectors which describe all possible distributions for four electrons in the 4×4 square lattice. The diagonalization of the 85×85 matrix energy allows us to study the local properties of the above system as a function of the on-site and off-site interactions energies, where we have shown that the off-site interaction encourages the existence of the double occupancies at the first excited state and induces a supplementary conductivity of the system.

Two-particle correlations in the one-dimensional Hubbard model: a ground-state analytical solution

CERN Document Server

Vallejo, E; Espinosa, J E

2003-01-01

A solution to the extended Hubbard Hamiltonian for the case of two-particles in an infinite one-dimensional lattice is presented, using a real-space mapping method and the Green function technique. This Hamiltonian considers the on-site (U) and the nearest-neighbor (V) interactions. The method is based on mapping the correlated many-body problem onto an equivalent site-impurity tight-binding one in a higher dimensional space. In this new space we obtained the analytical solution for the ground state binding energy. Results are in agreement with the numerical solution obtained previously [1], and with those obtained in the reciprocal space [2]. (Author)

Pseudogap and the specific heat of high Tc superconductors: a Hubbard model in a n-pole approximation

International Nuclear Information System (INIS)

Calegari, E J; Lausmann, A C; Magalhaes, S G; Chaves, C M; Troper, A

2015-01-01

In this work the specific heat of a two-dimensional Hubbard model, suitable to discuss high-T c superconductors (HTSC), is studied taking into account hopping to first (t) and second (t 2 ) nearest neighbors. Experimental results for the specific heat of HTSC's, for instance, the YBCO and LSCO, indicate a close relation between the pseudogap and the specific heat. In the present work, we investigate the specific heat by the Green's function method within a n-pole approximation. The specific heat is calculated on the pseudogap and on the superconducting regions. In the present scenario, the pseudogap emerges when the antiferromagnetic (AF) fluctuations become sufficiently strong. The specific heat jump coefficient Δγ decreases when the total occupation per site (n T ) reaches a given value. Such behavior of Δγ indicates the presence of a pseudogap in the regime of high occupation

Rationalization of the Hubbard U parameter in CeO{sub x} from first principles: Unveiling the role of local structure in screening

Energy Technology Data Exchange (ETDEWEB)

Lu, Deyu, E-mail: dlu@bnl.gov, E-mail: pingliu3@bnl.gov; Liu, Ping, E-mail: dlu@bnl.gov, E-mail: pingliu3@bnl.gov [Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973 (United States)

2014-02-28

The density functional theory (DFT)+U method has been widely employed in theoretical studies on various ceria systems to correct the delocalization bias in local and semi-local DFT functionals with moderate computational cost. We present a systematic and quantitative study, aiming to gain better understanding of the dependence of Hubbard U on the local atomic arrangement. To rationalize the Hubbard U of Ce 4f, we employed the first principles linear response method to compute Hubbard U for Ce in ceria clusters, bulks, and surfaces. We found that the Hubbard U varies in a wide range from 4.3 eV to 6.7 eV, and exhibits a strong correlation with the Ce coordination number and Ce–O bond lengths, rather than the Ce 4f valence state. The variation of the Hubbard U can be explained by the changes in the strength of local screening due to O → Ce intersite transitions.

First-order metal-insulator transitions in the extended Hubbard model due to self-consistent screening of the effective interaction

Science.gov (United States)

Schüler, M.; van Loon, E. G. C. P.; Katsnelson, M. I.; Wehling, T. O.

2018-04-01

While the Hubbard model is the standard model to study Mott metal-insulator transitions, it is still unclear to what extent it can describe metal-insulator transitions in real solids, where nonlocal Coulomb interactions are always present. By using a variational principle, we clarify this issue for short- and long-range nonlocal Coulomb interactions for half-filled systems on bipartite lattices. We find that repulsive nonlocal interactions generally stabilize the Fermi-liquid regime. The metal-insulator phase boundary is shifted to larger interaction strengths to leading order linearly with nonlocal interactions. Importantly, nonlocal interactions can raise the order of the metal-insulator transition. We present a detailed analysis of how the dimension and geometry of the lattice as well as the temperature determine the critical nonlocal interaction leading to a first-order transition: for systems in more than two dimensions with nonzero density of states at the Fermi energy the critical nonlocal interaction is arbitrarily small; otherwise, it is finite.

Optical Conductivity in a Two-Dimensional Extended Hubbard Model for an Organic Dirac Electron System α-(BEDT-TTF2I3

Directory of Open Access Journals (Sweden)

Daigo Ohki

2018-03-01

Full Text Available The optical conductivity in the charge order phase is calculated in the two-dimensional extended Hubbard model describing an organic Dirac electron system α -(BEDT-TTF 2 I 3 using the mean field theory and the Nakano-Kubo formula. Because the interband excitation is characteristic in a two-dimensional Dirac electron system, a peak structure is found above the charge order gap. It is shown that the peak structure originates from the Van Hove singularities of the conduction and valence bands, where those singularities are located at a saddle point between two Dirac cones in momentum space. The frequency of the peak structure exhibits drastic change in the vicinity of the charge order transition.

Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms

Directory of Open Access Journals (Sweden)

2015-12-01

Full Text Available Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification of uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.

Transport properties site descriptive model. Guidelines for evaluation and modelling

International Nuclear Information System (INIS)

Berglund, Sten; Selroos, Jan-Olof

2004-04-01

This report describes a strategy for the development of Transport Properties Site Descriptive Models within the SKB Site Investigation programme. Similar reports have been produced for the other disciplines in the site descriptive modelling (Geology, Hydrogeology, Hydrogeochemistry, Rock mechanics, Thermal properties, and Surface ecosystems). These reports are intended to guide the site descriptive modelling, but also to provide the authorities with an overview of modelling work that will be performed. The site descriptive modelling of transport properties is presented in this report and in the associated 'Strategy for the use of laboratory methods in the site investigations programme for the transport properties of the rock', which describes laboratory measurements and data evaluations. Specifically, the objectives of the present report are to: Present a description that gives an overview of the strategy for developing Site Descriptive Models, and which sets the transport modelling into this general context. Provide a structure for developing Transport Properties Site Descriptive Models that facilitates efficient modelling and comparisons between different sites. Provide guidelines on specific modelling issues where methodological consistency is judged to be of special importance, or where there is no general consensus on the modelling approach. The objectives of the site descriptive modelling process and the resulting Transport Properties Site Descriptive Models are to: Provide transport parameters for Safety Assessment. Describe the geoscientific basis for the transport model, including the qualitative and quantitative data that are of importance for the assessment of uncertainties and confidence in the transport description, and for the understanding of the processes at the sites. Provide transport parameters for use within other discipline-specific programmes. Contribute to the integrated evaluation of the investigated sites. The site descriptive modelling of

An object model for beamline descriptions

International Nuclear Information System (INIS)

Hill, B.W.; Martono, H.; Gillespie, J.S.

1997-01-01

Translation of beamline model descriptions between different accelerator codes presents a unique challenge due to the different representations used for various elements and subsystems. These differences range from simple units conversions to more complex translations involving multiple beamline components. A representation of basic accelerator components is being developed in order to define a meta-structure from which beamline models, in different codes, can be described and to facilitate the translation of models between these codes. Sublines of basic components will be used to represent more complex beamline descriptions and bridge the gap between codes which may represent a beamline element as a single entity, and those which use multiple elements to describe the same physical device. A C++ object model for supporting this beamline description and a grammar for describing beamlines in terms of these components is being developed. The object model will support a common graphic user interface and translation filters for representing native beamline descriptions for a variety of accelerator codes. An overview of our work on the object model for beamline descriptions is presented here. copyright 1997 American Institute of Physics

Entanglement of Exact Excited Eigenstates of the Hubbard Model in Arbitrary Dimension

Directory of Open Access Journals (Sweden)

Oskar Vafek, Nicolas Regnault, B. Andrei Bernevig

2017-12-01

Full Text Available We compute exactly the von Neumann entanglement entropy of the eta-pairing states - a large set of exact excited eigenstates of the Hubbard Hamiltonian. For the singlet eta-pairing states the entropy scales with the logarithm of the spatial dimension of the (smaller partition. For the eta-pairing states with finite spin magnetization density, the leading term can scale as the volume or as the area-times-log, depending on the momentum space occupation of the Fermions with flipped spins. We also compute the corrections to the leading scaling. In order to study the eigenstate thermalization hypothesis (ETH, we also compute the entanglement Renyi entropies of such states and compare them with the corresponding entropies of thermal density matrix in various ensembles. Such states, which we find violate strong ETH, may provide a useful platform for a detailed study of the time-dependence of the onset of thermalization due to perturbations which violate the total pseudospin conservation.

Nonperturbative Series Expansion of Green's Functions: The Anatomy of Resonant Inelastic X-Ray Scattering in the Doped Hubbard Model

Science.gov (United States)

Lu, Yi; Haverkort, Maurits W.

2017-12-01

We present a nonperturbative, divergence-free series expansion of Green's functions using effective operators. The method is especially suited for computing correlators of complex operators as a series of correlation functions of simpler forms. We apply the method to study low-energy excitations in resonant inelastic x-ray scattering (RIXS) in doped one- and two-dimensional single-band Hubbard models. The RIXS operator is expanded into polynomials of spin, density, and current operators weighted by fundamental x-ray spectral functions. These operators couple to different polarization channels resulting in simple selection rules. The incident photon energy dependent coefficients help to pinpoint main RIXS contributions from different degrees of freedom. We show in particular that, with parameters pertaining to cuprate superconductors, local spin excitation dominates the RIXS spectral weight over a wide doping range in the cross-polarization channel.

Recurrent variational approach to the two-leg Hubbard ladder

International Nuclear Information System (INIS)

Kim, E.H.; Sierra, G.; Duffy, D.

1999-01-01

We applied the recurrent variational approach to the two-leg Hubbard ladder. At half filling, our variational ansatz was a generalization of the resonating valence-bond state. At finite doping, hole pairs were allowed to move in the resonating valence-bond background. The results obtained by the recurrent variational approach were compared with results from density matrix renormalization group. copyright 1999 The American Physical Society

A mechanical of spin-triplet superconductivity in Hubbard model on triangular lattice: application to UNi sub 2 Al sub 3

CERN Document Server

Nisikawa, Y

2002-01-01

We discuss the possibility of spin-triplet superconductivity in a two-dimensional Hubbard model on a triangular lattice within the third-order perturbation theory. When we vary the symmetry in the dispersion of the bare energy band from D sub 2 to D sub 6 , spin-singlet superconductivity in the D sub 2 -symmetric system is suppressed and we obtain spin-triplet superconductivity in near the D sub 6 -symmetric system. In this case, it is found that the vertex terms, which are not included in the interaction mediated by the spin fluctuation, are essential for realizing the spin-triplet pairing. We point out the possibility that obtained results correspond to the difference between the superconductivity of UNi sub 2 Al sub 3 and that of UPd sub 2 Al sub 3. (author)

Site descriptive modelling - strategy for integrated evaluation

International Nuclear Information System (INIS)

Andersson, Johan

2003-02-01

The current document establishes the strategy to be used for achieving sufficient integration between disciplines in producing Site Descriptive Models during the Site Investigation stage. The Site Descriptive Model should be a multidisciplinary interpretation of geology, rock mechanics, thermal properties, hydrogeology, hydrogeochemistry, transport properties and ecosystems using site investigation data from deep bore holes and from the surface as input. The modelling comprise the following iterative steps, evaluation of primary data, descriptive and quantitative modelling (in 3D), overall confidence evaluation. Data are first evaluated within each discipline and then the evaluations are checked between the disciplines. Three-dimensional modelling (i.e. estimating the distribution of parameter values in space and its uncertainty) is made in a sequence, where the geometrical framework is taken from the geological model and in turn used by the rock mechanics, thermal and hydrogeological modelling etc. The three-dimensional description should present the parameters with their spatial variability over a relevant and specified scale, with the uncertainty included in this description. Different alternative descriptions may be required. After the individual discipline modelling and uncertainty assessment a phase of overall confidence evaluation follows. Relevant parts of the different modelling teams assess the suggested uncertainties and evaluate the feedback. These discussions should assess overall confidence by, checking that all relevant data are used, checking that information in past model versions is considered, checking that the different kinds of uncertainty are addressed, checking if suggested alternatives make sense and if there is potential for additional alternatives, and by discussing, if appropriate, how additional measurements (i.e. more data) would affect confidence. The findings as well as the modelling results are to be documented in a Site Description

First-principles Hubbard U approach for small molecule binding in metal-organic frameworks

Energy Technology Data Exchange (ETDEWEB)

Mann, Gregory W., E-mail: gmann@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Mesosphere, Inc., San Francisco, California 94105 (United States); Lee, Kyuho, E-mail: kyuholee@lbl.gov [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720 (United States); Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Synopsys, Inc., Mountain View, California 94043 (United States); Cococcioni, Matteo, E-mail: matteo.cococcioni@epfl.ch [Theory and Simulation of Materials (THEOS), École Polytechnique Fédérale de Lausanne, Lausanne (Switzerland); Smit, Berend, E-mail: Berend-Smit@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720 (United States); Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, Valais Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion (Switzerland); Neaton, Jeffrey B., E-mail: jbneaton@lbl.gov [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States)

2016-05-07

We apply first-principles approaches with Hubbard U corrections for calculation of small molecule binding energetics to open-shell transition metal atoms in metal-organic frameworks (MOFs). Using density functional theory with van der Waals dispersion-corrected functionals, we determine Hubbard U values ab initio through an established linear response procedure for M-MOF-74, for a number of different metal centers (M = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu). While our ab initio U values differ from those used in previous work, we show that they result in lattice parameters and electronic contributions to CO{sub 2}-MOF binding energies that lead to excellent agreement with experiments and previous results, yielding lattice parameters within 3%. In addition, U-dependent calculations for an example system, Co-MOF-74, suggest that the CO{sub 2} binding energy grows monotonically with the value of Hubbard U, with the binding energy shifting 4 kJ/mol (or 0.041 eV) over the range of U = 0-5.4 eV. These results provide insight into an approximate but computationally efficient means for calculation of small molecule binding energies to open-shell transition metal atoms in MOFs and suggest that the approach can be predictive with good accuracy, independent of the cations used and the availability of experimental data.

First-principles Hubbard U approach for small molecule binding in metal-organic frameworks

International Nuclear Information System (INIS)

Mann, Gregory W.; Lee, Kyuho; Cococcioni, Matteo; Smit, Berend; Neaton, Jeffrey B.

2016-01-01

We apply first-principles approaches with Hubbard U corrections for calculation of small molecule binding energetics to open-shell transition metal atoms in metal-organic frameworks (MOFs). Using density functional theory with van der Waals dispersion-corrected functionals, we determine Hubbard U values ab initio through an established linear response procedure for M-MOF-74, for a number of different metal centers (M = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu). While our ab initio U values differ from those used in previous work, we show that they result in lattice parameters and electronic contributions to CO 2 -MOF binding energies that lead to excellent agreement with experiments and previous results, yielding lattice parameters within 3%. In addition, U-dependent calculations for an example system, Co-MOF-74, suggest that the CO 2 binding energy grows monotonically with the value of Hubbard U, with the binding energy shifting 4 kJ/mol (or 0.041 eV) over the range of U = 0-5.4 eV. These results provide insight into an approximate but computationally efficient means for calculation of small molecule binding energies to open-shell transition metal atoms in MOFs and suggest that the approach can be predictive with good accuracy, independent of the cations used and the availability of experimental data.

Superconductivity, Mott-Hubbard states, and molecular orbital order in intercalated fullerides

CERN Document Server

Iwasa, Y

2003-01-01

This article reviews the current status of chemically doped fullerene superconductors and related compounds, with particular focus on Mott-Hubbard states and the role of molecular orbital degeneracy. Alkaline-earth metal fullerides produce superconductors of several kinds, all of which have states with higher valence than (C sub 6 sub 0) sup 6 sup - , where the second lowest unoccupied molecular orbital (the LUMO + 1 state) is filled. Alkali-metal-doped fullerides, on the other hand, afford superconductors only at the stoichiometry A sub 3 C sub 6 sub 0 (A denotes alkali metal) and in basically fcc structures. The metallicity and superconductivity of A sub 3 C sub 6 sub 0 compounds are destroyed either by reduction of the crystal symmetry or by change in the valence of C sub 6 sub 0. This difference is attributed to the narrower bandwidth in the A sub 3 C sub 6 sub 0 system, causing electronic instability in Jahn-Teller insulators and Mott-Hubbard insulators. The latter metal-insulator transition is driven by...

Chemical and morphological distinctions between vertical and lateral podzolization at Hubbard Brook

Science.gov (United States)

Rebecca R. Bourgault; Donald S. Ross; Scott W. Bailey

2015-01-01

Classical podzolization studies assumed vertical percolation and pedon-scale horizon development. However, hillslope-scale lateral podzolization also occurs where lateral subsurface water flux predominates. In this hydropedologic study, 99 podzols were observed in Watershed 3, Hubbard Brook Experimental Forest, New Hampshire. Soil horizon samples were extracted with...

Towards reproducible descriptions of neuronal network models.

Directory of Open Access Journals (Sweden)

Eilen Nordlie

2009-08-01

Full Text Available Progress in science depends on the effective exchange of ideas among scientists. New ideas can be assessed and criticized in a meaningful manner only if they are formulated precisely. This applies to simulation studies as well as to experiments and theories. But after more than 50 years of neuronal network simulations, we still lack a clear and common understanding of the role of computational models in neuroscience as well as established practices for describing network models in publications. This hinders the critical evaluation of network models as well as their re-use. We analyze here 14 research papers proposing neuronal network models of different complexity and find widely varying approaches to model descriptions, with regard to both the means of description and the ordering and placement of material. We further observe great variation in the graphical representation of networks and the notation used in equations. Based on our observations, we propose a good model description practice, composed of guidelines for the organization of publications, a checklist for model descriptions, templates for tables presenting model structure, and guidelines for diagrams of networks. The main purpose of this good practice is to trigger a debate about the communication of neuronal network models in a manner comprehensible to humans, as opposed to machine-readable model description languages. We believe that the good model description practice proposed here, together with a number of other recent initiatives on data-, model-, and software-sharing, may lead to a deeper and more fruitful exchange of ideas among computational neuroscientists in years to come. We further hope that work on standardized ways of describing--and thinking about--complex neuronal networks will lead the scientific community to a clearer understanding of high-level concepts in network dynamics, and will thus lead to deeper insights into the function of the brain.

Stochastic mean-field theory: Method and application to the disordered Bose-Hubbard model at finite temperature and speckle disorder

International Nuclear Information System (INIS)

Bissbort, Ulf; Hofstetter, Walter; Thomale, Ronny

2010-01-01

We discuss the stochastic mean-field theory (SMFT) method, which is a new approach for describing disordered Bose systems in the thermodynamic limit including localization and dimensional effects. We explicate the method in detail and apply it to the disordered Bose-Hubbard model at finite temperature, with on-site box disorder, as well as experimentally relevant unbounded speckle disorder. We find that disorder-induced condensation and re-entrant behavior at constant filling are only possible at low temperatures, beyond the reach of current experiments [M. Pasienski, D. McKay, M. White, and B. DeMarco, e-print arXiv:0908.1182]. Including off-diagonal hopping disorder as well, we investigate its effect on the phase diagram in addition to pure on-site disorder. To make connection to present experiments on a quantitative level, we also combine SMFT with an LDA approach and obtain the condensate fraction in the presence of an external trapping potential.

Numerically exact dynamics of the interacting many-body Schroedinger equation for Bose-Einstein condensates. Comparison to Bose-Hubbard and Gross-Pitaevskii theory

Energy Technology Data Exchange (ETDEWEB)

Sakmann, Kaspar

2010-07-21

In this thesis, the physics of trapped, interacting Bose-Einstein condensates is analyzed by solving the many-body Schroedinger equation. Particular emphasis is put on coherence, fragmentation and reduced density matrices. First, the ground state of a trapped Bose-Einstein condensate and its correlation functions are obtained. Then the dynamics of a bosonic Josephson junction is investigated by solving the time-dependent many-body Schroedinger equation numerically exactly. These are the first exact results in literature in this context. It is shown that the standard approximations of the field, Gross-Pitaevskii theory and the Bose-Hubbard model fail at weak interaction strength and within their range of expected validity. For stronger interactions the dynamics becomes strongly correlated and a new equilibration phenomenon is discovered. By comparison with exact results it is shown that a symmetry of the Bose- Hubbard model between attractive and repulsive interactions must be considered an artefact of the model. A conceptual innovation of this thesis are time-dependent Wannier functions. Equations of motion for time-dependent Wannier functions are derived from the variational principle. By comparison with exact results it is shown that lattice models can be greatly improved at little computational cost by letting the Wannier functions of a lattice model become time-dependent. (orig.)

CORECOOL, model description of the programme

International Nuclear Information System (INIS)

Andersen, J.G.M.; Abel-Larsen, H.

1978-11-01

CORECOOL, Convection and Radiation Emergency Cooling, is a model for the two-phase flow and heat transfer in a fuel element during the core heat-up phase following a loss of coolant accident. The model for the two-phase flow is based on a solution of the conservation equations with a separate description of the two phases and thermodynamic non-equilibrium. The flow-regimes considered are drop flow and film flow. The heat transfer consists of convection, sputtering and radiation heat transfer. The documentation of CORECOOL consists of four parts: I) model description, II) programme description (COMMERCIAL), III) users guide (COMMERCIAL) IV) verification (COMMERCIAL). CORECOOL is a joint project between Risoe National Laboratory Denmark and General Electric Company, San Jose, USA. (author)

A Quantum Mermin-Wagner Theorem for a Generalized Hubbard Model

Directory of Open Access Journals (Sweden)

Mark Kelbert

2013-01-01

Full Text Available This paper is the second in a series of papers considering symmetry properties of bosonic quantum systems over 2D graphs, with continuous spins, in the spirit of the Mermin-Wagner theorem. In the model considered here the phase space of a single spin is ℋ1=L2(M, where M is a d-dimensional unit torus M=ℝd/ℤd with a flat metric. The phase space of k spins is ℋk=L2sym(Mk, the subspace of L2(Mk formed by functions symmetric under the permutations of the arguments. The Fock space H=⊕k=0,1,…ℋk yields the phase space of a system of a varying (but finite number of particles. We associate a space H≃H(i with each vertex i∈Γ of a graph (Γ,ℰ satisfying a special bidimensionality property. (Physically, vertex i represents a heavy “atom” or “ion” that does not move but attracts a number of “light” particles. The kinetic energy part of the Hamiltonian includes (i -Δ/2, the minus a half of the Laplace operator on M, responsible for the motion of a particle while “trapped” by a given atom, and (ii an integral term describing possible “jumps” where a particle may join another atom. The potential part is an operator of multiplication by a function (the potential energy of a classical configuration which is a sum of (a one-body potentials U(1(x, x∈M, describing a field generated by a heavy atom, (b two-body potentials U(2(x,y, x,y∈M, showing the interaction between pairs of particles belonging to the same atom, and (c two-body potentials V(x,y, x,y∈M, scaled along the graph distance d(i,j between vertices i,j∈Γ, which gives the interaction between particles belonging to different atoms. The system under consideration can be considered as a generalized (bosonic Hubbard model. We assume that a connected Lie group G acts on M, represented by a Euclidean space or torus of dimension d'≤d, preserving the metric and the volume in M. Furthermore, we suppose that the potentials U(1, U(2, and V are G-invariant. The result

Long-term trends from ecosystem research at the Hubbard Brook Experimental Forest

Science.gov (United States)

John L. Campbell; Charles T. Driscoll; Christopher Eagar; Gene E. Likens; Thomas G. Siccama; Chris E. Johnson; Timothy J. Fahey; Steven P. Hamburg; Richard T. Holmes; Amey S. Bailey; Donald C. Buso

2007-01-01

Summarizes 52 years of collaborative, long-term research conducted at the Hubbard Brook (NH) Experimental Forest on ecosystem response to disturbances such as air pollution, climate change, forest disturbance, and forest management practices. Also provides explanations of some of the trends and lists references from scientific literature for further reading.

Adequacy of Si:P chains as Fermi-Hubbard simulators

Science.gov (United States)

Dusko, Amintor; Delgado, Alain; Saraiva, André; Koiller, Belita

2018-01-01

The challenge of simulating many-body models with analogue physical systems requires both experimental precision and very low operational temperatures. Atomically precise placement of dopants in Si permits the construction of nanowires by design. We investigate the suitability of these interacting electron systems as simulators of a fermionic extended Hubbard model on demand. We describe the single-particle wavefunctions as a linear combination of dopant orbitals (LCDO). The electronic states are calculated within configuration interaction (CI). Due to the peculiar oscillatory behavior of each basis orbital, properties of these chains are strongly affected by the interdonor distance R0, in a non-monotonic way. Ground state (T = 0 K) properties such as charge and spin correlations are shown to remain robust under temperatures up to 4 K for specific values of R0. The robustness of the model against disorder is also tested, allowing some fluctuation of the placement site around the target position. We suggest that finite donor chains in Si may serve as an analog simulator for strongly correlated model Hamiltonians. This simulator is, in many ways, complementary to those based on cold atoms in optical lattices—the trade-off between the tunability achievable in the latter and the survival of correlation at higher operation temperatures for the former suggests that both technologies are applicable for different regimes.

A descriptive ecosystem model - a strategy for model development during site investigations

International Nuclear Information System (INIS)

Loefgren, Anders

2003-09-01

This report describes a strategy for the development of a site descriptive model for the surface ecosystem on the potential deep repository sites. The surface ecosystem embraces many disciplines, and these have to be identified, described and integrated in order to construct a descriptive ecosystem model that describes and quantifies biotic and abiotic patterns and processes of importance for the ecosystem on the site. The descriptive model includes both present day conditions and historical information. The descriptive ecosystem model will be used to supply input data for the safety assessment and to serve as the baseline model for devising a monitoring program to detect short-term disturbances caused first by the site investigations and later by the construction of the deep repository. Furthermore, it will serve as a reference for future comparisons to determine more long-term effects or changes caused by the deep repository. The report adopts a non-site-specific approach focusing on the following aims: 1. To present and define the properties that will constitute the descriptive ecosystem model. 2. To present a methodology for determining those properties. 3. To describe and develop the framework for the descriptive ecosystem model by integrating the different properties. 4. To present vital data from other site descriptive models such as those for geology or hydrogeology that interacts with and affects the descriptive ecosystem model. The properties are described under four different sections: general physical properties of the landscape, the terrestrial system, the limnic system and the marine system. These headings are further subdivided into entities that integrate properties in relation to processes

A descriptive ecosystem model - a strategy for model development during site investigations

Energy Technology Data Exchange (ETDEWEB)

Loefgren, Anders [Stockholm Univ. (Sweden). Dept. of Botany; Lindborg, Tobias [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden)

2003-09-01

This report describes a strategy for the development of a site descriptive model for the surface ecosystem on the potential deep repository sites. The surface ecosystem embraces many disciplines, and these have to be identified, described and integrated in order to construct a descriptive ecosystem model that describes and quantifies biotic and abiotic patterns and processes of importance for the ecosystem on the site. The descriptive model includes both present day conditions and historical information. The descriptive ecosystem model will be used to supply input data for the safety assessment and to serve as the baseline model for devising a monitoring program to detect short-term disturbances caused first by the site investigations and later by the construction of the deep repository. Furthermore, it will serve as a reference for future comparisons to determine more long-term effects or changes caused by the deep repository. The report adopts a non-site-specific approach focusing on the following aims: 1. To present and define the properties that will constitute the descriptive ecosystem model. 2. To present a methodology for determining those properties. 3. To describe and develop the framework for the descriptive ecosystem model by integrating the different properties. 4. To present vital data from other site descriptive models such as those for geology or hydrogeology that interacts with and affects the descriptive ecosystem model. The properties are described under four different sections: general physical properties of the landscape, the terrestrial system, the limnic system and the marine system. These headings are further subdivided into entities that integrate properties in relation to processes.

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

Science.gov (United States)

Kutepov, A L

2015-08-12

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

Mott transitions in the periodic Anderson model

International Nuclear Information System (INIS)

Logan, David E; Galpin, Martin R; Mannouch, Jonathan

2016-01-01

The periodic Anderson model (PAM) is studied within the framework of dynamical mean-field theory, with particular emphasis on the interaction-driven Mott transition it contains, and on resultant Mott insulators of both Mott–Hubbard and charge-transfer type. The form of the PAM phase diagram is first deduced on general grounds using two exact results, over the full range of model parameters and including metallic, Mott, Kondo and band insulator phases. The effective low-energy model which describes the PAM in the vicinity of a Mott transition is then shown to be a one-band Hubbard model, with effective hoppings that are not in general solely nearest neighbour, but decay exponentially with distance. This mapping is shown to have a range of implications for the physics of the problem, from phase boundaries to single-particle dynamics; all of which are confirmed and supplemented by NRG calculations. Finally we consider the locally degenerate, non-Fermi liquid Mott insulator, to describe which requires a two-self-energy description. This is shown to yield a number of exact results for the associated local moment, charge, and interaction-renormalised levels, together with a generalisation of Luttinger’s theorem to the Mott insulator. (paper)

Ab inito calculations of Hubbard parameters for NiO and Gd crystals

Directory of Open Access Journals (Sweden)

A. R Faghihi and S Jalali Asadabadi

2008-07-01

Full Text Available   In this research the Hubbard parameters have been calculated for NiO and Gd crystals, as two strongly correlated systems with partially full 3d and 4f levels, respectively. The calculations were performed within the density functional theory (DFT using the augmented plane waves plus the local orbitat (APW+lo method. We constructed a suitable supercell and found that the Hubbard parameters for the NiO and Gd compounds are equal to 5.9 eV and 5.7 eV, respectively. Our results are in good agreement with experimental data and results of other computational methods. Then we used the obtained parameters to study the structural properties of NiO and Gd by means of LDA+U approximation. Our results calculated by the LDA+U method which are in better agreement with the experiment show a significant improvement compared to the GGA approximation. The result shows that our method for calculating U parameter can be considered as a satisfactory method to study a strongly correlated system.

Catapodium marinum (L.) Hubbard, Scirpus planifolius Grimm en Trifolium micranthum Viv. op Goeree

NARCIS (Netherlands)

Westhoff, V.; Leeuwen, van C.G.

1962-01-01

The mediterranean-atlantic species Catapodium marinum (L.) Hubbard reaches its northern limit on the continent in the Netherlands. Up to 1959 only 2 localities on the Dutch coast were known. In 1961 the species was discovered in large quantities on the brackish estuary shore of the island of Goeree,

p -wave superconductivity in weakly repulsive 2D Hubbard model with Zeeman splitting and weak Rashba spin-orbit coupling

Science.gov (United States)

Hugdal, Henning G.; Sudbø, Asle

2018-01-01

We study the superconducting order in a two-dimensional square lattice Hubbard model with weak repulsive interactions, subject to a Zeeman field and weak Rashba spin-orbit interactions. Diagonalizing the noninteracting Hamiltonian leads to two separate bands, and by deriving an effective low-energy interaction we find the mean field gap equations for the superconducting order parameter on the bands. Solving the gap equations just below the critical temperature, we find that superconductivity is caused by Kohn-Luttinger-type interaction, while the pairing symmetry of the bands is indirectly affected by the spin-orbit coupling. The dominating attractive momentum channel of the Kohn-Luttinger term depends on the filling fraction n of the system, and it is therefore possible to change the momentum dependence of the order parameter by tuning n . Moreover, n also determines which band has the highest critical temperature. Rotating the magnetic field changes the momentum dependence from states that for small momenta reduce to a chiral px±i py type state for out-of-plane fields, to a nodal p -wave-type state for purely in-plane fields.

Correlation mediated superconductivity in a 'High-Tsub(c)' model

International Nuclear Information System (INIS)

Long, M.W.

1987-08-01

A simple model is presented to account for the High-Tsub(c) perovskite superconductors. The superconducting mechanism is purely electronic and comes from local Hubbard correlations. The model comprises a Hubbard model for the copper sites with a single particle oxygen band between the two copper Hubbard bands. The electrons move only between nearest neighbour atoms which are of different types. Using two very different approximation schemes, one related to 'Slave-Boson' mean field theory and the other based on an exact local Fermion transformation, the possibility of copper-oxygen or a mixture of copper-oxygen and oxygen-oxygen pairing is shown. The author believes that the most promising situation for superconductivity is with the Oxygen band over half-filled and closer in energy to the lower Hubbard band. (author)

Charge and pairing dynamics in the attractive Hubbard model: Mode coupling and the validity of linear-response theory

Science.gov (United States)

Bünemann, Jörg; Seibold, Götz

2017-12-01

Pump-probe experiments have turned out as a powerful tool in order to study the dynamics of competing orders in a large variety of materials. The corresponding analysis of the data often relies on standard linear-response theory generalized to nonequilibrium situations. Here we examine the validity of such an approach for the charge and pairing response of systems with charge-density wave and (or) superconducting (SC) order. Our investigations are based on the attractive Hubbard model which we study within the time-dependent Hartree-Fock approximation. In particular, we calculate the quench and pump-probe dynamics for SC and charge order parameters in order to analyze the frequency spectra and the coupling of the probe field to the specific excitations. Our calculations reveal that the "linear-response assumption" is justified for small to moderate nonequilibrium situations (i.e., pump pulses) in the case of a purely charge-ordered ground state. However, the pump-probe dynamics on top of a superconducting ground state is determined by phase and amplitude modes which get coupled far from the equilibrium state indicating the failure of the linear-response assumption.

Desarrollo No Perturbativo para el Modelo de Hubbard Generalizado

Directory of Open Access Journals (Sweden)

Oscar P. Zandron

2010-01-01

Full Text Available Se extienden a un estado superconductor nuestros resultados previamente obtenidos para un estado normal en el marco del formalismo Lagrangiano. Se considera la expansión noperturbativa a N grande aplicada a un modelo generalizado de Hubbard describiendo N bandas degeneradas correlacionadas. Se obtienen la diagramática Feynman del modelo y se calculan y analizan las cantidades físicas renormalizadas. Nuestro propósito es obtener la corrección 1/N de los propagadores bosónico y fermiónico renormalizados cuando se tiene en cuenta un estado de condensación de pares de Cooper.

Forsmark - site descriptive model version 0

International Nuclear Information System (INIS)

2002-10-01

During 2002, the Swedish Nuclear Fuel and Waste Management Company (SKB) is starting investigations at two potential sites for a deep repository in the Precambrian basement of the Fennoscandian Shield. The present report concerns one of those sites, Forsmark, which lies in the municipality of Oesthammar, on the east coast of Sweden, about 150 kilometres north of Stockholm. The site description should present all collected data and interpreted parameters of importance for the overall scientific understanding of the site, for the technical design and environmental impact assessment of the deep repository, and for the assessment of long-term safety. The site description will have two main components: a written synthesis of the site, summarising the current state of knowledge, as documented in the databases containing the primary data from the site investigations, and one or several site descriptive models, in which the collected information is interpreted and presented in a form which can be used in numerical models for rock engineering, environmental impact and long-term safety assessments. The site descriptive models are devised and stepwise updated as the site investigations proceed. The point of departure for this process is the regional site descriptive model, version 0, which is the subject of the present report. Version 0 is developed out of the information available at the start of the site investigation. This information, with the exception of data from tunnels and drill holes at the sites of the Forsmark nuclear reactors and the underground low-middle active radioactive waste storage facility, SFR, is mainly 2D in nature (surface data), and is general and regional, rather than site-specific, in content. For this reason, the Forsmark site descriptive model, version 0, as detailed in the present report, has been developed at a regional scale. It covers a rectangular area, 15 km in a southwest-northeast and 11 km in a northwest-southeast direction, around the

Simpevarp - site descriptive model version 0

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-11-01

During 2002, SKB is starting detailed investigations at two potential sites for a deep repository in the Precambrian rocks of the Fennoscandian Shield. The present report concerns one of those sites, Simpevarp, which lies in the municipality of Oskarshamn, on the southeast coast of Sweden, about 250 kilometres south of Stockholm. The site description will have two main components: a written synthesis of the site, summarising the current state of knowledge, as documented in the databases containing the primary data from the site investigations, and one or several site descriptive models, in which the collected information is interpreted and presented in a form which can be used in numerical models for rock engineering, environmental impact and long-term safety assessments. SKB maintains two main databases at the present time, a site characterisation database called SICADA and a geographic information system called SKB GIS. The site descriptive model will be developed and presented with the aid of the SKB GIS capabilities, and with SKBs Rock Visualisation System (RVS), which is also linked to SICADA. The version 0 model forms an important framework for subsequent model versions, which are developed successively, as new information from the site investigations becomes available. Version 0 is developed out of the information available at the start of the site investigation. In the case of Simpevarp, this is essentially the information which was compiled for the Oskarshamn feasibility study, which led to the choice of that area as a favourable object for further study, together with information collected since its completion. This information, with the exception of the extensive data base from the nearby Aespoe Hard Rock Laboratory, is mainly 2D in nature (surface data), and is general and regional, rather than site-specific, in content. Against this background, the present report consists of the following components: an overview of the present content of the databases

Field-theoretical description of itinerant spin glasses

International Nuclear Information System (INIS)

Kolley, E.; Kolley, W.

1986-01-01

By means of functional integral technique at T 0 the disordered Hubbard model is bosonized, resulting in an effective action of the Ginzburg-Landau type. The quenched-averaged free energy of the itinerant spin glass is calculated by using the replica trick and Bogolyubov's variational principle. The spinglass order parameter and the local magnetic moment fulfil a system of self-consistent equations in the presence of spatial fluctuations. (author)

Forsmark - site descriptive model version 0

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-10-01

During 2002, the Swedish Nuclear Fuel and Waste Management Company (SKB) is starting investigations at two potential sites for a deep repository in the Precambrian basement of the Fennoscandian Shield. The present report concerns one of those sites, Forsmark, which lies in the municipality of Oesthammar, on the east coast of Sweden, about 150 kilometres north of Stockholm. The site description should present all collected data and interpreted parameters of importance for the overall scientific understanding of the site, for the technical design and environmental impact assessment of the deep repository, and for the assessment of long-term safety. The site description will have two main components: a written synthesis of the site, summarising the current state of knowledge, as documented in the databases containing the primary data from the site investigations, and one or several site descriptive models, in which the collected information is interpreted and presented in a form which can be used in numerical models for rock engineering, environmental impact and long-term safety assessments. The site descriptive models are devised and stepwise updated as the site investigations proceed. The point of departure for this process is the regional site descriptive model, version 0, which is the subject of the present report. Version 0 is developed out of the information available at the start of the site investigation. This information, with the exception of data from tunnels and drill holes at the sites of the Forsmark nuclear reactors and the underground low-middle active radioactive waste storage facility, SFR, is mainly 2D in nature (surface data), and is general and regional, rather than site-specific, in content. For this reason, the Forsmark site descriptive model, version 0, as detailed in the present report, has been developed at a regional scale. It covers a rectangular area, 15 km in a southwest-northeast and 11 km in a northwest-southeast direction, around the

Critical slowing down in driven-dissipative Bose-Hubbard lattices

Science.gov (United States)

Vicentini, Filippo; Minganti, Fabrizio; Rota, Riccardo; Orso, Giuliano; Ciuti, Cristiano

2018-01-01

We explore theoretically the dynamical properties of a first-order dissipative phase transition in coherently driven Bose-Hubbard systems, describing, e.g., lattices of coupled nonlinear optical cavities. Via stochastic trajectory calculations based on the truncated Wigner approximation, we investigate the dynamical behavior as a function of system size for one-dimensional (1D) and 2D square lattices in the regime where mean-field theory predicts nonlinear bistability. We show that a critical slowing down emerges for increasing number of sites in 2D square lattices, while it is absent in 1D arrays. We characterize the peculiar properties of the collective phases in the critical region.

Hydrodynamic description of spin Calogero-Sutherland model

Science.gov (United States)

Abanov, Alexander; Kulkarni, Manas; Franchini, Fabio

2009-03-01

We study a non-linear collective field theory for an integrable spin-Calogero-Sutherland model. The hydrodynamic description of this SU(2) model in terms of charge density, charge velocity and spin currents is used to study non-perturbative solutions (solitons) and examine their correspondence with known quantum numbers of elementary excitations [1]. A conventional linear bosonization or harmonic approximation is not sufficient to describe, for example, the physics of spin-charge (non)separation. Therefore, we need this new collective bosonic field description that captures the effects of the band curvature. In the strong coupling limit [2] this model reduces to integrable SU(2) Haldane-Shastry model. We study a non-linear coupling of left and right spin currents which form a Kac-Moody algebra. Our quantum hydrodynamic description for the spin case is an extension for the one found in the spinless version in [3].[3pt] [1] Y. Kato,T. Yamamoto, and M. Arikawa, J. Phys. Soc. Jpn. 66, 1954-1961 (1997).[0pt] [2] A. Polychronakos, Phys Rev Lett. 70,2329-2331(1993).[0pt] [3] A.G.Abanov and P.B. Wiegmann, Phys Rev Lett 95, 076402(2005)

Matrix-valued Boltzmann equation for the nonintegrable Hubbard chain.

Science.gov (United States)

Fürst, Martin L R; Mendl, Christian B; Spohn, Herbert

2013-07-01

The standard Fermi-Hubbard chain becomes nonintegrable by adding to the nearest neighbor hopping additional longer range hopping amplitudes. We assume that the quartic interaction is weak and investigate numerically the dynamics of the chain on the level of the Boltzmann type kinetic equation. Only the spatially homogeneous case is considered. We observe that the huge degeneracy of stationary states in the case of nearest neighbor hopping is lost and the convergence to the thermal Fermi-Dirac distribution is restored. The convergence to equilibrium is exponentially fast. However for small next-nearest neighbor hopping amplitudes one has a rapid relaxation towards the manifold of quasistationary states and slow relaxation to the final equilibrium state.

Hydrogen ion input to the Hubbard Brook Experimental Forest, New Hampshire, during the last decade

Science.gov (United States)

Gene E. Likens; F. Herbert Bormann; John S. Eaton; Robert S. Pierce; Noye M. Johnson

1976-01-01

Being downwind of eastern and midwestern industrial centers, the Hubbard Brook Experimental Forest offers a prime location to monitor long-term trends in atmospheric chemistry. Continuous measurements of precipitation chemistry during the last 10 years provide a measure of recent changes in precipitation inputs of hydrogen ion. The weighted average pH of precipitation...

Simpevarp - site descriptive model version 0

International Nuclear Information System (INIS)

2002-11-01

During 2002, SKB is starting detailed investigations at two potential sites for a deep repository in the Precambrian rocks of the Fennoscandian Shield. The present report concerns one of those sites, Simpevarp, which lies in the municipality of Oskarshamn, on the southeast coast of Sweden, about 250 kilometres south of Stockholm. The site description will have two main components: a written synthesis of the site, summarising the current state of knowledge, as documented in the databases containing the primary data from the site investigations, and one or several site descriptive models, in which the collected information is interpreted and presented in a form which can be used in numerical models for rock engineering, environmental impact and long-term safety assessments. SKB maintains two main databases at the present time, a site characterisation database called SICADA and a geographic information system called SKB GIS. The site descriptive model will be developed and presented with the aid of the SKB GIS capabilities, and with SKBs Rock Visualisation System (RVS), which is also linked to SICADA. The version 0 model forms an important framework for subsequent model versions, which are developed successively, as new information from the site investigations becomes available. Version 0 is developed out of the information available at the start of the site investigation. In the case of Simpevarp, this is essentially the information which was compiled for the Oskarshamn feasibility study, which led to the choice of that area as a favourable object for further study, together with information collected since its completion. This information, with the exception of the extensive data base from the nearby Aespoe Hard Rock Laboratory, is mainly 2D in nature (surface data), and is general and regional, rather than site-specific, in content. Against this background, the present report consists of the following components: an overview of the present content of the databases

One-Particle vs. Two-Particle Crossover in Weakly Coupled Hubbard Chains and Ladders: Perturbative Renormalization Group Approach

OpenAIRE

Kishine, Jun-ichiro; Yonemitsu, Kenji

1997-01-01

Physical nature of dimensional crossovers in weakly coupled Hubbard chains and ladders has been discussed within the framework of the perturbative renormalization-group approach. The difference between these two cases originates from different universality classes which the corresponding isolated systems belong to.

Confidence assessment. Site-descriptive modelling SDM-Site Laxemar

International Nuclear Information System (INIS)

2009-06-01

The objective of this report is to assess the confidence that can be placed in the Laxemar site descriptive model, based on the information available at the conclusion of the surface-based investigations (SDM-Site Laxemar). In this exploration, an overriding question is whether remaining uncertainties are significant for repository engineering design or long-term safety assessment and could successfully be further reduced by more surface-based investigations or more usefully by explorations underground made during construction of the repository. Procedures for this assessment have been progressively refined during the course of the site descriptive modelling, and applied to all previous versions of the Forsmark and Laxemar site descriptive models. They include assessment of whether all relevant data have been considered and understood, identification of the main uncertainties and their causes, possible alternative models and their handling, and consistency between disciplines. The assessment then forms the basis for an overall confidence statement. The confidence in the Laxemar site descriptive model, based on the data available at the conclusion of the surface based site investigations, has been assessed by exploring: - Confidence in the site characterization data base, - remaining issues and their handling, - handling of alternatives, - consistency between disciplines and - main reasons for confidence and lack of confidence in the model. Generally, the site investigation database is of high quality, as assured by the quality procedures applied. It is judged that the Laxemar site descriptive model has an overall high level of confidence. Because of the relatively robust geological model that describes the site, the overall confidence in the Laxemar Site Descriptive model is judged to be high, even though details of the spatial variability remain unknown. The overall reason for this confidence is the wide spatial distribution of the data and the consistency between

Confidence assessment. Site-descriptive modelling SDM-Site Laxemar

Energy Technology Data Exchange (ETDEWEB)

2008-12-15

The objective of this report is to assess the confidence that can be placed in the Laxemar site descriptive model, based on the information available at the conclusion of the surface-based investigations (SDM-Site Laxemar). In this exploration, an overriding question is whether remaining uncertainties are significant for repository engineering design or long-term safety assessment and could successfully be further reduced by more surface-based investigations or more usefully by explorations underground made during construction of the repository. Procedures for this assessment have been progressively refined during the course of the site descriptive modelling, and applied to all previous versions of the Forsmark and Laxemar site descriptive models. They include assessment of whether all relevant data have been considered and understood, identification of the main uncertainties and their causes, possible alternative models and their handling, and consistency between disciplines. The assessment then forms the basis for an overall confidence statement. The confidence in the Laxemar site descriptive model, based on the data available at the conclusion of the surface based site investigations, has been assessed by exploring: - Confidence in the site characterization data base, - remaining issues and their handling, - handling of alternatives, - consistency between disciplines and - main reasons for confidence and lack of confidence in the model. Generally, the site investigation database is of high quality, as assured by the quality procedures applied. It is judged that the Laxemar site descriptive model has an overall high level of confidence. Because of the relatively robust geological model that describes the site, the overall confidence in the Laxemar Site Descriptive model is judged to be high, even though details of the spatial variability remain unknown. The overall reason for this confidence is the wide spatial distribution of the data and the consistency between

Description of the Lewin Natural Gas Model

International Nuclear Information System (INIS)

Kuuskraa, V.; Godec, M.

1989-01-01

This paper provides a brief description of the Lewin Natural Gas Model, shows how this model differs in key features from the other models participating in EMF-9, and describes how the different modeling scenarios analyzed in EMF-9 were implemented in the Lewin model. This background helps explain the key results that have been gained from applying the Lewin model to the EMF scenarios

A quasi-exactly solvable Lipkin-Meshkov-Glick model

International Nuclear Information System (INIS)

Pan Feng; Lin Jijie; Xue Xiaogang; Draayer, J P

2010-01-01

We prove that a special Lipkin-Meshkov-Glick model is quasi-exactly solvable with solutions that can be expressed in the SU(2) coherent state form. Ground-state properties of the model are studied analytically. We also show that the model reduces to the standard two-site Bose-Hubbard model in the large-N limit for finite U/t or large (N - 1)|U|/t cases with finite N, which proves that in these cases the ground state of the standard two-site Bose-Hubbard model is an SU(2) coherent state.

Domain Endurants: An Analysis and Description Process Model

DEFF Research Database (Denmark)

Bjørner, Dines

2014-01-01

We present a summary, Sect. 2, of a structure of domain analysis and description concepts: techniques and tools. And we link, in Sect. 3, these concepts, embodied in domain analysis prompts and domain description prompts, in a model of how a diligent domain analyser cum describer would use them. We...

Adding Curvature to Minimum Description Length Shape Models

DEFF Research Database (Denmark)

Thodberg, Hans Henrik; Ólafsdóttir, Hildur

2003-01-01

The Minimum Description Length (MDL) approach to shape modelling seeks a compact description of a set of shapes in terms of the coordinates of marks on the shapes. It has been shown that the mark positions resulting from this optimisation to a large extent solve the so-called point correspondence...

Le modele de Hubbard bidimensionnel a faible couplage: Thermodynamique et phenomenes critiques

Science.gov (United States)

Roy, Sebastien

Une etude systematique du modele de Hubbard en deux dimensions a faible couplage a l'aide de la theorie Auto-Coherente a Deux Particules (ACDP) dans le diagramme temperature-dopage-interaction-sauts permet de mettre en evidence l'influence des fluctuations magnetiques sur les proprietes thermodynamiques du systeme electronique sur reseau. Le regime classique renormalise a temperature finie pres du dopage nul est marque par la grandeur de la longueur de correlation de spin comparee a la longueur thermique de de Broglie et est caracterisee par un accroissement drastique de la longueur de correlation de spin. Cette croissance exponentielle a dopage nul marque la presence d'un pic de chaleur specifique en fonction de la temperature a basse temperature. Une temperature de crossover est alors associee a la temperature a laquelle la longueur de correlation de spin est egale a la longueur thermique de de Broglie. C'est a cette temperature caracteristique, ou est observee l'ouverture du pseudogap dans le poids spectral, que se situe le maximum du pic de chaleur specifique. La presence de ce pic a des consequences sur l'evolution du potentiel chimique avec le dopage lorsque l'uniformite thermodynamique est respectee. Les contraintes imposees par les lois de la thermodynamique font en sorte que l'evolution du potentiel chimique avec le dopage est non triviale. On demontre entre autres que le potentiel chimique est proportionnel a la double occupation qui est reliee au moment local. Par ailleurs, une derivation de la fonction de mise a l'echelle de la susceptibilite de spin a frequence nulle au voisinage d'un point critique marque sans equivoque la presence d'un point critique quantique en dopage pour une valeur donnee de l'interaction. Ce point critique, associe a une transition de phase magnetique en fonction du dopage a temperature nulle, induit un comportement non trivial sur les proprietes physiques du systeme a temperature finie. L'approche quantitative ACDP permet de

Fractional statistics and quantum scaling properties of the integrable Penson-Kolb-Hubbard chain

Science.gov (United States)

Vitoriano, Carlindo; Coutinho-Filho, M. D.

2010-09-01

We investigate the ground-state and low-temperature properties of the integrable version of the Penson-Kolb-Hubbard chain. The model obeys fractional statistical properties, which give rise to fractional elementary excitations and manifest differently in the four regions of the phase diagram U/t versus n , where U is the Coulomb coupling, t is the correlated hopping amplitude, and n is the particle density. In fact, we can find local pair formation, fractionalization of the average occupation number per orbital k , or U - and n -dependent average electric charge per orbital k . We also study the scaling behavior near the U -driven quantum phase transitions and characterize their universality classes. Finally, it is shown that in the regime of parameters where local pair formation is energetically more favorable, the ground state exhibits power-law superconductivity; we also stress that above half filling the pair-hopping term stabilizes local Cooper pairs in the repulsive- U regime for U

An Efficient Explicit-time Description Method for Timed Model Checking

Directory of Open Access Journals (Sweden)

Hao Wang

2009-12-01

Full Text Available Timed model checking, the method to formally verify real-time systems, is attracting increasing attention from both the model checking community and the real-time community. Explicit-time description methods verify real-time systems using general model constructs found in standard un-timed model checkers. Lamport proposed an explicit-time description method using a clock-ticking process (Tick to simulate the passage of time together with a group of global variables to model time requirements. Two methods, the Sync-based Explicit-time Description Method using rendezvous synchronization steps and the Semaphore-based Explicit-time Description Method using only one global variable were proposed; they both achieve better modularity than Lamport's method in modeling the real-time systems. In contrast to timed automata based model checkers like UPPAAL, explicit-time description methods can access and store the current time instant for future calculations necessary for many real-time systems, especially those with pre-emptive scheduling. However, the Tick process in the above three methods increments the time by one unit in each tick; the state spaces therefore grow relatively fast as the time parameters increase, a problem when the system's time period is relatively long. In this paper, we propose a more efficient method which enables the Tick process to leap multiple time units in one tick. Preliminary experimental results in a high performance computing environment show that this new method significantly reduces the state space and improves both the time and memory efficiency.

Hydrogeological Site Descriptive Model - a strategy for its development during Site Investigations

Energy Technology Data Exchange (ETDEWEB)

Rhen, Ingvar [SWECO VIAK AB, Goeteborg (Sweden); Follin, Sven [SF GeoLogic AB, Stockholm (Sweden); Hermanson, Jan [Golder Associates, Stockholm (Sweden)

2003-04-01

The report is to present a strategy for the development of the Site Descriptive Hydrogeological Model within the SKB Site Investigation Programme. The report, and similar reports from the Geology, Rock Mechanics, Thermal properties, Hydrogeochemistry, Transport Properties and Surface Ecosystem disciplines are intended to guide SKB Site Descriptive Modelling but also to provide the authorities with an overview of how the modelling should be performed. Thus the objectives of this report are to: provide guidelines for the modelling of different sites resulting in consistent handling of modelling issues during the Site Investigations, provide a structure for the modelling sequence that is suitable for the establishment of a Site Descriptive model and provide some necessary details that should be considered in a Site Descriptive model.

Hydrogeological Site Descriptive Model - a strategy for its development during Site Investigations

International Nuclear Information System (INIS)

Rhen, Ingvar; Follin, Sven; Hermanson, Jan

2003-04-01

The report is to present a strategy for the development of the Site Descriptive Hydrogeological Model within the SKB Site Investigation Programme. The report, and similar reports from the Geology, Rock Mechanics, Thermal properties, Hydrogeochemistry, Transport Properties and Surface Ecosystem disciplines are intended to guide SKB Site Descriptive Modelling but also to provide the authorities with an overview of how the modelling should be performed. Thus the objectives of this report are to: provide guidelines for the modelling of different sites resulting in consistent handling of modelling issues during the Site Investigations, provide a structure for the modelling sequence that is suitable for the establishment of a Site Descriptive model and provide some necessary details that should be considered in a Site Descriptive model

Methodology for geometric modelling. Presentation and administration of site descriptive models; Metodik foer geometrisk modellering. Presentation och administration av platsbeskrivande modeller

Energy Technology Data Exchange (ETDEWEB)

Munier, Raymond [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden); Hermanson, Jan [Golder Associates (Sweden)

2001-03-01

This report presents a methodology to construct, visualise and present geoscientific descriptive models based on data from the site investigations, which the SKB currently performs, to build an underground nuclear waste disposal facility in Sweden. It is designed for interaction with SICADA (SKB:s site characterisation database) and RVS (SKB:s Rock Visualisation System). However, the concepts of the methodology are general and can be used with other tools capable of handling 3D geometries and parameters. The descriptive model is intended to be an instrument where site investigation data from all disciplines are put together to form a comprehensive visual interpretation of the studied rock mass. The methodology has four main components: 1. Construction of a geometrical model of the interpreted main structures at the site. 2. Description of the geoscientific characteristics of the structures. 3. Description and geometrical implementation of the geometric uncertainties in the interpreted model structures. 4. Quality system for the handling of the geometrical model, its associated database and some aspects of the technical auditing. The geometrical model forms a basis for understanding the main elements and structures of the investigated site. Once the interpreted geometries are in place in the model, the system allows for adding descriptive and quantitative data to each modelled object through a system of intuitive menus. The associated database allows each geometrical object a complete quantitative description of all geoscientific disciplines, variabilities, uncertainties in interpretation and full version history. The complete geometrical model and its associated database of object descriptions are to be recorded in a central quality system. Official, new and old versions of the model are administered centrally in order to have complete quality assurance of each step in the interpretation process. The descriptive model is a cornerstone in the understanding of the

Penson-Kolb-Hubbard model: A study of the competition between single-particle and pair hopping in one dimension

International Nuclear Information System (INIS)

Hui, A.; Doniach, S.

1993-01-01

In this paper, we present a study of the ground-state phase diagram of a one-dimensional quantum chain, the Penson-Kolb-Hubbard model, H=-summation i ,η=±1,σ (tc i+ησ † c iσ +Vc i+η↑ † c i+η↓ † c i↓ ci↑)+ summation i Un i↑ ni↓ at half filling. We have examined the system using exact diagonalization for samples of up to 12 sites and employed two techniques, eigenprojection decomposition and twisted-boundary conditions, in analyzing the data. These techniques allow us to characterize the ground state in a manner insensitive to changes in sample size and provide us with a clean way to visualize the physics. When used with the ''correct'' order parameter, qualitative features emerge even for sample sizes as small as six sites. We find that the second-order charge-density-wave--spin-density-wave transition in the weak-coupling limit (t much-gt U∼2V) turns into a first-order superconducting--antiferromagnetic transition in the strong-coupling regime [t much-lt U∼(4/π)V]. We also observe evidence of a charge-density-wave--superconducting transition in the parameter range (t∼V much-gt U). These three transition lines meet together at a tricritical point at (t:U:V)∼(0.04:0.54:0.42). A naive renormalization-group analysis in the intermediate-coupling regime produces results consistent with this conclusion

Elevation dependent sensitivity of northern hardwoods to Ca addition at Hubbard Brook Experimental Forest, NH USA

Science.gov (United States)

Rakesh Minocha; Stephanie Long; Palaniswamy Thangavel; Subhash C. Minocha; Christopher Eagar; Charles T. Driscoll

2010-01-01

Acidic deposition has caused a depletion of calcium (Ca) in the northeastern forest soils. Wollastonite (Ca silicate) was added to watershed 1 (WS1) at the Hubbard Brook Experimental Forest (HBEF) in 1999 to evaluate its effects on various functions of the HBEF ecosystem. The effects of Ca addition on foliar soluble (extractable in 5% HClO4) ions...

Bond-order wave phase of the extended Hubbard model: Electronic solitons, paramagnetism, and coupling to Peierls and Holstein phonons

Science.gov (United States)

Kumar, Manoranjan; Soos, Zoltán G.

2010-10-01

The bond-order wave (BOW) phase of the extended Hubbard model (EHM) in one dimension (1D) is characterized at intermediate correlation U=4t by exact treatment of N -site systems. Linear coupling to lattice (Peierls) phonons and molecular (Holstein) vibrations are treated in the adiabatic approximation. The molar magnetic susceptibility χM(T) is obtained directly up to N=10 . The goal is to find the consequences of a doubly degenerate ground state (gs) and finite magnetic gap Em in a regular array. Degenerate gs with broken inversion symmetry are constructed for finite N for a range of V near the charge-density-wave boundary at V≈2.18t where Em≈0.5t is large. The electronic amplitude B(V) of the BOW in the regular array is shown to mimic a tight-binding band with small effective dimerization δeff . Electronic spin and charge solitons are elementary excitations of the BOW phase and also resemble topological solitons with small δeff . Strong infrared intensity of coupled molecular vibrations in dimerized 1D systems is shown to extend to the regular BOW phase while its temperature dependence is related to spin solitons. The Peierls instability to dimerization has novel aspects for degenerate gs and substantial Em that suppresses thermal excitations. Finite Em implies exponentially small χM(T) at low temperature followed by an almost linear increase with T . The EHM with U=4t is representative of intermediate correlations in quasi-1D systems such as conjugated polymers or organic ion-radical and charge-transfer salts. The vibronic and thermal properties of correlated models with BOW phases are needed to identify possible physical realizations.

Two-magnon Raman scattering in a Mott-Hubbard antiferromagnet

International Nuclear Information System (INIS)

Basu, S.; Singh, A.

1996-01-01

A perturbation-theoretic diagrammatic scheme is developed for systematically studying the two-magnon Raman scattering in a Mott-Hubbard antiferromagnet. The fermionic structure of the magnon interaction vertex is obtained at order-1/N level in an inverse-degeneracy expansion, and the relevant two-magnon propagator is obtained by incorporating magnon interactions at a ladder-sum level. Evaluation of the magnon interaction vertex in the large-U limit yields a nearest-neighbor instantaneous interaction with interaction energy -J. Application of this approach to the intermediate-U regime, which is of relevance for cuprate antiferromagnets, is also discussed. Incorporating the zero-temperature magnon damping, which is estimated in terms of quantum spin fluctuations, the two-magnon Raman scattering intensity is evaluated and compared with experiments on La 2 CuO 4 . copyright 1996 The American Physical Society

Testing the methodology for site descriptive modelling. Application for the Laxemar area

International Nuclear Information System (INIS)

Andersson, Johan; Berglund, Johan; Follin, Sven; Hakami, Eva; Halvarson, Jan; Hermanson, Jan; Laaksoharju, Marcus; Rhen, Ingvar; Wahlgren, C.H.

2002-08-01

A special project has been conducted where the currently available data from the Laxemar area, which is part of the Simpevarp site, have been evaluated and interpreted into a Site Descriptive Model covering: geology, hydrogeology, hydrogeochemistry and rock mechanics. Description of the surface ecosystem has been omitted, since it was re-characterised in another, parallel, project. Furthermore, there has been no evaluation of transport properties. The project is primarily a methodology test. The lessons learnt will be implemented in the Site Descriptive Modelling during the coming site investigation. The intent of the project has been to explore whether available methodology for Site Descriptive Modelling based on surface and borehole data is adequate and to identify potential needs for development and improvement in the methodology. The project has developed, with limitations in scope, a Site Descriptive Model in local scale, corresponding to the situation after completion of the Initial Site Investigations for the Laxemar area (i.e. 'version 1.2' using the vocabulary of the general execution program for the site investigations). The Site Descriptive Model should be reasonable, but should not be regarded as a 'real' model. There are limitations both in input data and in the scope of the analysis. The measured (primary) data constitute a wide range of different measurement results including data from two deep core drilled boreholes. These data both need to be checked for consistency and to be interpreted into a format more amenable for three-dimensional modelling. Examples of such evaluations are estimation of surface geology, lineament interpretation, geological single hole interpretation, hydrogeological single hole interpretation and assessment of hydrogeochemical data. Furthermore, while cross discipline interpretation is encouraged there is also a need for transparency. This means that the evaluations first are made within each discipline and after this

Translation of a High-Level Temporal Model into Lower Level Models: Impact of Modelling at Different Description Levels

DEFF Research Database (Denmark)

Kraft, Peter; Sørensen, Jens Otto

2001-01-01

The paper attempts theoretically to clarify the interrelation between various levels of descriptions used in the modelling and the programming of information systems. We suggest an analysis where we characterise the description levels with respect to how precisely they may handle information abou...... and other textual models. We also consider the aptness of models that include procedural mechanisms such as active and object databases...

Testing the methodology for site descriptive modelling. Application for the Laxemar area

Energy Technology Data Exchange (ETDEWEB)

Andersson, Johan [JA Streamflow AB, Aelvsjoe (Sweden); Berglund, Johan [SwedPower AB, Stockholm (Sweden); Follin, Sven [SF Geologic AB, Stockholm (Sweden); Hakami, Eva [Itasca Geomekanik AB, Stockholm (Sweden); Halvarson, Jan [Swedish Nuclear Fuel and Waste Management Co, Stockholm (Sweden); Hermanson, Jan [Golder Associates AB, Stockholm (Sweden); Laaksoharju, Marcus [Geopoint (Sweden); Rhen, Ingvar [Sweco VBB/VIAK, Stockholm (Sweden); Wahlgren, C.H. [Sveriges Geologiska Undersoekning, Uppsala (Sweden)

2002-08-01

A special project has been conducted where the currently available data from the Laxemar area, which is part of the Simpevarp site, have been evaluated and interpreted into a Site Descriptive Model covering: geology, hydrogeology, hydrogeochemistry and rock mechanics. Description of the surface ecosystem has been omitted, since it was re-characterised in another, parallel, project. Furthermore, there has been no evaluation of transport properties. The project is primarily a methodology test. The lessons learnt will be implemented in the Site Descriptive Modelling during the coming site investigation. The intent of the project has been to explore whether available methodology for Site Descriptive Modelling based on surface and borehole data is adequate and to identify potential needs for development and improvement in the methodology. The project has developed, with limitations in scope, a Site Descriptive Model in local scale, corresponding to the situation after completion of the Initial Site Investigations for the Laxemar area (i.e. 'version 1.2' using the vocabulary of the general execution program for the site investigations). The Site Descriptive Model should be reasonable, but should not be regarded as a 'real' model. There are limitations both in input data and in the scope of the analysis. The measured (primary) data constitute a wide range of different measurement results including data from two deep core drilled boreholes. These data both need to be checked for consistency and to be interpreted into a format more amenable for three-dimensional modelling. Examples of such evaluations are estimation of surface geology, lineament interpretation, geological single hole interpretation, hydrogeological single hole interpretation and assessment of hydrogeochemical data. Furthermore, while cross discipline interpretation is encouraged there is also a need for transparency. This means that the evaluations first are made within each discipline

Hubbard Glacier, Alaska: growing and advancing in spite of global climate change and the 1986 and 2002 Russell Lake outburst floods

Science.gov (United States)

Trabant, Dennis C.; March, Rod S.; Thomas, Donald S.

2003-01-01

Hubbard Glacier, the largest calving glacier on the North American Continent (25 percent larger than Rhode Island), advanced across the entrance to 35-mile-long Russell Fiord during June 2002, temporarily turning it into a lake. Hubbard Glacier has been advancing for more than 100 years and has twice closed the entrance to Russell Fiord during the last 16 years by squeezing and pushing submarine glacial sediments across the mouth of the fiord. Water flowing into the cutoff fiord from mountain streams and glacier melt causes the level of Russell Lake to rise. However, both the 1986 and 2002 dams failed before the lake altitude rose enough for water to spill over a low pass at the far end of the fiord and enter the Situk River drainage, a world-class sport and commercial fishery near Yakutat, Alaska.

Minimum Description Length Shape and Appearance Models

DEFF Research Database (Denmark)

Thodberg, Hans Henrik

2003-01-01

The Minimum Description Length (MDL) approach to shape modelling is reviewed. It solves the point correspondence problem of selecting points on shapes defined as curves so that the points correspond across a data set. An efficient numerical implementation is presented and made available as open s...

Spiral magnetic order, non-uniform states and electron correlations in the conducting transition metal systems

Science.gov (United States)

Igoshev, P. A.; Timirgazin, M. A.; Arzhnikov, A. K.; Antipin, T. V.; Irkhin, V. Yu.

2017-10-01

The ground-state magnetic phase diagram is calculated within the Hubbard and s-d exchange (Kondo) models for square and simple cubic lattices vs. band filling and interaction parameter. The difference of the results owing to the presence of localized moments in the latter model is discussed. We employ a generalized Hartree-Fock approximation (HFA) to treat commensurate ferromagnetic (FM), antiferromagnetic (AFM), and incommensurate (spiral) magnetic phases. The electron correlations are taken into account within the Hubbard model by using the Kotliar-Ruckenstein slave boson approximation (SBA). The main advantage of this approach is a correct qualitative description of the paramagnetic phase: its energy becomes considerably lower as compared with HFA, and the gain in the energy of magnetic phases is substantially reduced.

Current reversals and metastable states in the infinite Bose-Hubbard chain with local particle loss

Science.gov (United States)

Kiefer-Emmanouilidis, M.; Sirker, J.

2017-12-01

We present an algorithm which combines the quantum trajectory approach to open quantum systems with a density-matrix renormalization-group scheme for infinite one-dimensional lattice systems. We apply this method to investigate the long-time dynamics in the Bose-Hubbard model with local particle loss starting from a Mott-insulating initial state with one boson per site. While the short-time dynamics can be described even quantitatively by an equation of motion (EOM) approach at the mean-field level, many-body interactions lead to unexpected effects at intermediate and long times: local particle currents far away from the dissipative site start to reverse direction ultimately leading to a metastable state with a total particle current pointing away from the lossy site. An alternative EOM approach based on an effective fermion model shows that the reversal of currents can be understood qualitatively by the creation of holon-doublon pairs at the edge of the region of reduced particle density. The doublons are then able to escape while the holes move towards the dissipative site, a process reminiscent—in a loose sense—of Hawking radiation.

Algebraic computability and enumeration models recursion theory and descriptive complexity

CERN Document Server

Nourani, Cyrus F

2016-01-01

This book, Algebraic Computability and Enumeration Models: Recursion Theory and Descriptive Complexity, presents new techniques with functorial models to address important areas on pure mathematics and computability theory from the algebraic viewpoint. The reader is first introduced to categories and functorial models, with Kleene algebra examples for languages. Functorial models for Peano arithmetic are described toward important computational complexity areas on a Hilbert program, leading to computability with initial models. Infinite language categories are also introduced to explain descriptive complexity with recursive computability with admissible sets and urelements. Algebraic and categorical realizability is staged on several levels, addressing new computability questions with omitting types realizably. Further applications to computing with ultrafilters on sets and Turing degree computability are examined. Functorial models computability is presented with algebraic trees realizing intuitionistic type...

The DART general equilibrium model: A technical description

OpenAIRE

Springer, Katrin

1998-01-01

This paper provides a technical description of the Dynamic Applied Regional Trade (DART) General Equilibrium Model. The DART model is a recursive dynamic, multi-region, multi-sector computable general equilibrium model. All regions are fully specified and linked by bilateral trade flows. The DART model can be used to project economic activities, energy use and trade flows for each of the specified regions to simulate various trade policy as well as environmental policy scenarios, and to analy...

Thermal Site Descriptive Model. A strategy for the model development during site investigations. Version 1.0

International Nuclear Information System (INIS)

Sundberg, Jan

2003-04-01

Site investigations are in progress for the siting of a deep repository for spent nuclear fuel. As part of the planning work, strategies are developed for site descriptive modelling regarding different disciplines, amongst them the thermal conditions. The objective of the strategy for a thermal site descriptive model is to guide the practical implementation of evaluating site specific data during the site investigations. It is understood that further development may be needed. The model describes the thermal properties and other thermal parameters of intact rock, fractures and fracture zones, and of the rock mass. The methodology is based on estimation of thermal properties of intact rock and discontinuities, using both empirical and theoretical/numerical approaches, and estimation of thermal processes using mathematical modelling. The methodology will be used and evaluated for the thermal site descriptive modelling at the Aespoe Hard Rock Laboratory

Confidence assessment. Site descriptive modelling SDM-Site Forsmark

International Nuclear Information System (INIS)

2008-09-01

The objective of this report is to assess the confidence that can be placed in the Forsmark site descriptive model, based on the information available at the conclusion of the surface-based investigations (SDM-Site Forsmark). In this exploration, an overriding question is whether remaining uncertainties are significant for repository engineering design or long-term safety assessment and could successfully be further reduced by more surface based investigations or more usefully by explorations underground made during construction of the repository. The confidence in the Forsmark site descriptive model, based on the data available at the conclusion of the surface-based site investigations, have been assessed by exploring: Confidence in the site characterisation data base; Key remaining issues and their handling; Handling of alternative models; Consistency between disciplines; and, Main reasons for confidence and lack of confidence in the model. It is generally found that the key aspects of importance for safety assessment and repository engineering of the Forsmark site descriptive model are associated with a high degree of confidence. Because of the robust geological model that describes the site, the overall confidence in Forsmark site descriptive model is judged to be high. While some aspects have lower confidence this lack of confidence is handled by providing wider uncertainty ranges, bounding estimates and/or alternative models. Most, but not all, of the low confidence aspects have little impact on repository engineering design or for long-term safety. Poor precision in the measured data are judged to have limited impact on uncertainties on the site descriptive model, with the exceptions of inaccuracy in determining the position of some boreholes at depth in 3-D space, as well as the poor precision of the orientation of BIPS images in some boreholes, and the poor precision of stress data determined by overcoring at the locations where the pre

Stable-unstable transition for a Bose-Hubbard chain coupled to an environment

Science.gov (United States)

Guo, Chu; de Vega, Ines; Schollwöck, Ulrich; Poletti, Dario

2018-05-01

Interactions in quantum systems may induce transitions to exotic correlated phases of matter which can be vulnerable to coupling to an environment. Here, we study the stability of a Bose-Hubbard chain coupled to a bosonic bath at zero and nonzero temperature. We show that only above a critical interaction the chain loses bosons and its properties are significantly affected. The transition is of a different nature than the superfluid-Mott-insulator transition and occurs at a different critical interaction. We explain such a stable-unstable transition by the opening of a global charge gap. The comparison of accurate matrix product state simulations to approximative approaches that miss this transition reveals its many-body origin.

X-slave boson approach to the periodic Anderson model

International Nuclear Information System (INIS)

Franco, R.; Figueira, M.S.; Foglio, M.E.

2001-01-01

The periodic anderson model (PAM) in the limit U=∞, can be studied by employing the Hubbard X operators to project out the unwanted states. In a previous work, we have studied the cumulant expansion of this Hamiltonian employing the hybridization as a perturbation, but probability conservation of the local states (completeness) is not usually satisfied when partial expansions like the 'chain approximation (CHA)' are employed. To consider this problem, we use a technique similar to the one employed by Coleman to treat the same problem with slave-bosons in the mean-field approximation. Assuming a particular renormalization for hybridization, we obtain a description that avoids an unwanted phase transition that appears in the mean-field slave-boson method at intermediate temperatures

A Description Logic Based Knowledge Representation Model for Concept Understanding

DEFF Research Database (Denmark)

Badie, Farshad

2017-01-01

This research employs Description Logics in order to focus on logical description and analysis of the phenomenon of ‘concept understanding’. The article will deal with a formal-semantic model for figuring out the underlying logical assumptions of ‘concept understanding’ in knowledge representation...... systems. In other words, it attempts to describe a theoretical model for concept understanding and to reflect the phenomenon of ‘concept understanding’ in terminological knowledge representation systems. Finally, it will design an ontology that schemes the structure of concept understanding based...

Past and projected future changes in snowpack and soil frost at the Hubbard Brook Experimental Forest, New Hampshire, USA

Science.gov (United States)

John L. Campbell; Scott V. Ollinger; Gerald N. Flerchinger; Haley Wicklein; Katharine Hayhoe; Amey S. Bailey

2010-01-01

Long-term data from the Hubbard Brook Experimental Forest in New Hampshire show that air temperature has increased by about 1 °C over the last half century. The warmer climate has caused significant declines in snow depth, snow water equivalent and snow cover duration. Paradoxically, it has been suggested that warmer air temperatures may result in colder soils...

Descriptive and mechanistic models of crop–weed competition

NARCIS (Netherlands)

Bastiaans, L.; Storkey, J.

2017-01-01

Crop-weed competitive relations are an important element of agroecosystems. Quantifying and understanding them helps to design appropriate weed management at operational, tactical and strategic level. This chapter presents and discusses simple descriptive and more mechanistic models for crop-weed

INTRA/Mod3.2. Manual and Code Description. Volume I - Physical Modelling

International Nuclear Information System (INIS)

Andersson, Jenny; Edlund, O.; Hermann, J.; Johansson, Lise-Lotte

1999-01-01

The INTRA Manual consists of two volumes. Volume I of the manual is a thorough description of the code INTRA, the Physical modelling of INTRA and the ruling numerical methods and volume II, the User's Manual is an input description. This document, the Physical modelling of INTRA, contains code characteristics, integration methods and applications

INTRA/Mod3.2. Manual and Code Description. Volume I - Physical Modelling

Energy Technology Data Exchange (ETDEWEB)

Andersson, Jenny; Edlund, O; Hermann, J; Johansson, Lise-Lotte

1999-01-01

The INTRA Manual consists of two volumes. Volume I of the manual is a thorough description of the code INTRA, the Physical modelling of INTRA and the ruling numerical methods and volume II, the User`s Manual is an input description. This document, the Physical modelling of INTRA, contains code characteristics, integration methods and applications

Translation of a High-Level Temporal Model into Lower Level Models: Impact of Modelling at Different Description Levels

DEFF Research Database (Denmark)

Kraft, Peter; Sørensen, Jens Otto

2001-01-01

given types of properties, and examine how descriptions on higher levels translate into descriptions on lower levels. Our example looks at temporal properties where the information is concerned with the existence in time. In a high level temporal model with information kept in a three-dimensional space...... the existences in time can be mapped precisely and consistently securing a consistent handling of the temporal properties. We translate the high level temporal model into an entity-relationship model, with the information in a two-dimensional graph, and finally we look at the translations into relational...... and other textual models. We also consider the aptness of models that include procedural mechanisms such as active and object databases...

Band gap depiction of quaternary FeMnTiAl alloy using Hubbard (U) potential

Science.gov (United States)

Bhat, Tahir Mohiuddin; Yousuf, Saleem; Khandy, Shakeel Ahmad; Gupta, Dinesh C.

2018-05-01

We have employed self-consistent ab-initio calculations to investigate new quaternary alloy FeMnTiAl by applying Hubbard potential (U). The alloy is found to be stable in ferromagnetic phase with cubic structure. The alloy shows half-metallic (HM) ferromagnet character. The values of minority band gap FeMnTiAl are found to be 0.33 eV respectively. Electronic charge density reveals that both types of bonds covalent as well as ionic are present in the alloy. Thus the new quaternary alloy can be proved as vital contender for spin valves and spin generator devices.

Strong-coupling expansion for the momentum distribution of the Bose-Hubbard model with benchmarking against exact numerical results

International Nuclear Information System (INIS)

Freericks, J. K.; Krishnamurthy, H. R.; Kato, Yasuyuki; Kawashima, Naoki; Trivedi, Nandini

2009-01-01

A strong-coupling expansion for the Green's functions, self-energies, and correlation functions of the Bose-Hubbard model is developed. We illustrate the general formalism, which includes all possible (normal-phase) inhomogeneous effects in the formalism, such as disorder or a trap potential, as well as effects of thermal excitations. The expansion is then employed to calculate the momentum distribution of the bosons in the Mott phase for an infinite homogeneous periodic system at zero temperature through third order in the hopping. By using scaling theory for the critical behavior at zero momentum and at the critical value of the hopping for the Mott insulator-to-superfluid transition along with a generalization of the random-phase-approximation-like form for the momentum distribution, we are able to extrapolate the series to infinite order and produce very accurate quantitative results for the momentum distribution in a simple functional form for one, two, and three dimensions. The accuracy is better in higher dimensions and is on the order of a few percent relative error everywhere except close to the critical value of the hopping divided by the on-site repulsion. In addition, we find simple phenomenological expressions for the Mott-phase lobes in two and three dimensions which are much more accurate than the truncated strong-coupling expansions and any other analytic approximation we are aware of. The strong-coupling expansions and scaling-theory results are benchmarked against numerically exact quantum Monte Carlo simulations in two and three dimensions and against density-matrix renormalization-group calculations in one dimension. These analytic expressions will be useful for quick comparison of experimental results to theory and in many cases can bypass the need for expensive numerical simulations.

Hubbard pair cluster in the external fields. Studies of the magnetic properties

Science.gov (United States)

Balcerzak, T.; Szałowski, K.

2018-06-01

The magnetic properties of the two-site Hubbard cluster (dimer or pair), embedded in the external electric and magnetic fields and treated as the open system, are studied by means of the exact diagonalization of the Hamiltonian. The formalism of the grand canonical ensemble is adopted. The phase diagrams, on-site magnetizations, spin-spin correlations, mean occupation numbers and hopping energy are investigated and illustrated in figures. An influence of temperature, mean electron concentration, Coulomb U parameter and external fields on the quantities of interest is presented and discussed. In particular, the anomalous behaviour of the magnetization and correlation function vs. temperature near the critical magnetic field is found. Also, the effect of magnetization switching by the external fields is demonstrated.

Physical models for the description of an electrodynamically accelerated plasma sheath

International Nuclear Information System (INIS)

Zambreanu, V.

1977-01-01

An analysis of the models proposed for the description of the plasma sheath dynamics in a coaxial system (of the same type as that operating at the Bucharest Institute of Physics) is presented. A particular attention is paid to the physical structure of the accelerated plasma. It has been shown that a self-consistent model could be derived from a phenomenological description of the sheath structure. The physical models presented so far in the literature have been classified into three groups: the hydrodynamic models, the plasma sheet models and the shock wave models. Each of these models is briefly described. The simplifying assumptions used in the construction of these models have been pointed out. The final conclusion has been that, under these assumptions, none of these models taken separately could completely and correctly describe the dynamical state of the plasma sheath. (author)

Description, Modelling and Design of Production Systems

DEFF Research Database (Denmark)

Jacobsen, Peter; Rudolph, Carsten

1997-01-01

Design of production systems are rarely an activity in which decision makers in most production companies have much experience. In future, this activity is to be more recurrent due to more and more frequent changes in the production task. Consequently, the decision makers are in need of better...... management tools and methods for description and modelling of production systems supporting the decisions. In this article a structural framework to describe and model production systems will be introduced, and it is shown how the production system of a minor Danish manufacturer of electromechanical...

Documentation for Grants Equal to Tax model: Volume 1, Technical description

International Nuclear Information System (INIS)

1986-01-01

A computerized model, the Grants Equal to Tax (GETT) model, was developed to assist in evaluating the amount of federal grant monies that would go to state and local jurisdictions under the provisions outlined in the Nuclear Waste Policy Act of 1982. The GETT model is capable of forecasting the amount of tax liability associated with all property owned and all activities undertaken by the US Department of Energy (DOE) in site characterization and repository development. The GETT program is a user-friendly, menu-driven model developed using dBASE III/trademark/, a relational data base management system. The data base for GETT consists primarily of eight separate dBASE III/trademark/ files corresponding to each of the eight taxes levied by state and local jurisdictions on business property and activity. Additional smaller files help to control model inputs and reporting options. Volume 1 of the GETT model documentation is a technical description of the program and its capabilities providing (1) descriptions of the data management system and its procedures; (2) formulas for calculating taxes (illustrated with flow charts); (3) descriptions of tax data base variables for the Deaf Smith County, Texas, Richton Dome, Mississippi, and Davis Canyon, Utah, salt sites; and (4) data inputs for the GETT model. 10 refs., 18 figs., 3 tabs

Modelling Imprecise Arguments in Description Logic

Directory of Open Access Journals (Sweden)

LETIA, I. A.

2009-10-01

Full Text Available Real arguments are a mixture of fuzzy linguistic variables and ontological knowledge. This paper focuses on modelling imprecise arguments in order to obtain a better interleaving of human and software agents argumentation, which might be proved useful for extending the number of real life argumentative-based applications. We propose Fuzzy Description Logic as the adequate technical instrumentation for filling the gap between human arguments and software agents arguments. A proof of concept scenario has been tested with the fuzzyDL reasoner.

Dry deposition of sulfur: a 23-year record for the Hubbard Brook Forest ecosystem

Energy Technology Data Exchange (ETDEWEB)

Likens, G E; Eaton, J S [Inst. of Ecosystem Studies, The New York Botanical Garden, NY (US); Bormann, F H [School of Forestry and Environmental Studies Yale Univ., New Haven, CT (US); Hedin, L O [Dept. of Biology, Yale Univ., New Haven, CT (US); Driscoll, C T [Dept. of Civil and Environmental Engineering, Syracuse, NY (US)

1990-01-01

Dry deposition of S was estimated for watershed-ecosystems of the Hubbard Brook Experimental Forest from 1964-65 through 1986-87. Two approaches, a regression analysis of bulk precipitation inputs and stream outputs and a mass-balance method, gave similar average values for Watershed 6 430 and 410 eq SO{sub 4}{sup =}/ha-yr, respectively, for this 23-year period. Dry deposition contributed about 37% of total S deposition, varying from 12% in 1964-65 to 61% in 1983-84. Long-term data from 'replicated' watershed-ecosystems showed that temporal variability in estimates of dry deposition was considerably greater than spatial (between watersheds) variability.

Orbital currents and charge density waves in a generalized Hubbard ladder

International Nuclear Information System (INIS)

Fjaerestad, J.O.; Marston, J.B.; Schollwoeck, U.

2006-01-01

We study a generalized Hubbard model on the two-leg ladder at zero temperature, focusing on a parameter region with staggered flux (SF)/d-density wave (DDW) order. To guide our numerical calculations, we first investigate the location of a SF/DDW phase in the phase diagram of the half-filled weakly interacting ladder using a perturbative renormalization group (RG) and bosonization approach. For hole doping δ away from half-filling, finite-system density-matrix renormalization-group (DMRG) calculations are used to study ladders with up to 200 rungs for intermediate-strength interactions. In the doped SF/DDW phase, the staggered rung current and the rung electron density both show periodic spatial oscillations, with characteristic wavelengths 2/δ and 1/δ, respectively, corresponding to ordering wavevectors 2k F and 4k F for the currents and densities, where 2k F = π (1 - δ). The density minima are located at the anti-phase domain walls of the staggered current. For sufficiently large dopings, SF/DDW order is suppressed. The rung density modulation also exists in neighboring phases where currents decay exponentially. We show that most of the DMRG results can be qualitatively understood from weak-coupling RG/bosonization arguments. However, while these arguments seem to suggest a crossover from non-decaying correlations to power-law decay at a length scale of order 1/δ, the DMRG results are consistent with a true long-range order scenario for the currents and densities

Integrating textual and model-based process descriptions for comprehensive process search

NARCIS (Netherlands)

Leopold, Henrik; van der Aa, Han; Pittke, Fabian; Raffel, Manuel; Mendling, Jan; Reijers, Hajo A.

2016-01-01

Documenting business processes using process models is common practice in many organizations. However, not all process information is best captured in process models. Hence, many organizations complement these models with textual descriptions that specify additional details. The problem with this

THE SHEFFIELD ALCOHOL POLICY MODEL - A MATHEMATICAL DESCRIPTION.

Science.gov (United States)

Brennan, Alan; Meier, Petra; Purshouse, Robin; Rafia, Rachid; Meng, Yang; Hill-Macmanus, Daniel; Angus, Colin; Holmes, John

2014-09-30

This methodology paper sets out a mathematical description of the Sheffield Alcohol Policy Model version 2.0, a model to evaluate public health strategies for alcohol harm reduction in the UK. Policies that can be appraised include a minimum price per unit of alcohol, restrictions on price discounting, and broader public health measures. The model estimates the impact on consumers, health services, crime, employers, retailers and government tax revenues. The synthesis of public and commercial data sources to inform the model structure is described. A detailed algebraic description of the model is provided. This involves quantifying baseline levels of alcohol purchasing and consumption by age and gender subgroups, estimating the impact of policies on consumption, for example, using evidence on price elasticities of demand for alcohol, quantification of risk functions relating alcohol consumption to harms including 47 health conditions, crimes, absenteeism and unemployment, and finally monetary valuation of the consequences. The results framework, shown for a minimum price per unit of alcohol, has been used to provide policy appraisals for the UK government policy-makers. In discussion and online appendix, we explore issues around valuation and scope, limitations of evidence/data, how the framework can be adapted to other countries and decisions, and ongoing plans for further development. © 2014 The Authors. Health Economics published by John Wiley & Sons Ltd. © 2014 The Authors. Health Economics published by John Wiley & Sons Ltd.

NONLINEAR MODELS FOR DESCRIPTION OF CACAO FRUIT GROWTH WITH ASSUMPTION VIOLATIONS

Directory of Open Access Journals (Sweden)

JOEL AUGUSTO MUNIZ

2017-01-01

Full Text Available Cacao (Theobroma cacao L. is an important fruit in the Brazilian economy, which is mainly cultivated in the southern State of Bahia. The optimal stage for harvesting is a major factor for fruit quality and the knowledge on its growth curves can help, especially in identifying the ideal maturation stage for harvesting. Nonlinear regression models have been widely used for description of growth curves. However, several studies in this subject do not consider the residual analysis, the existence of a possible dependence between longitudinal observations, or the sample variance heterogeneity, compromising the modeling quality. The objective of this work was to compare the fit of nonlinear regression models, considering residual analysis and assumption violations, in the description of the cacao (clone Sial-105 fruit growth. The data evaluated were extracted from Brito and Silva (1983, who conducted the experiment in the Cacao Research Center, Ilheus, State of Bahia. The variables fruit length, diameter and volume as a function of fruit age were studied. The use of weighting and incorporation of residual dependencies was efficient, since the modeling became more consistent, improving the model fit. Considering the first-order autoregressive structure, when needed, leads to significant reduction in the residual standard deviation, making the estimates more reliable. The Logistic model was the most efficient for the description of the cacao fruit growth.

Theoretical and computational studies of excitons in conjugated polymers

Science.gov (United States)

Barford, William; Bursill, Robert J.; Smith, Richard W.

2002-09-01

We present a theoretical and computational analysis of excitons in conjugated polymers. We use a tight-binding model of π-conjugated electrons, with 1/r interactions for large r. In both the weak-coupling limit (defined by W>>U) and the strong-coupling limit (defined by Wparticle models. We compare these to density matrix renormalization group (DMRG) calculations, and find good agreement in the extreme limits. We use these analytical results to interpret the DMRG calculations in the intermediate-coupling regime (defined by W~U), most applicable to conjugated polymers. We make the following conclusions. (1) In the weak-coupling limit the bound states are Mott-Wannier excitons, i.e., conduction-band electrons bound to valence-band holes. Singlet and triplet excitons whose relative wave functions are odd under a reflection of the relative coordinate are degenerate. Thus, the 2 1A+g and 1 3A-g states are degenerate in this limit. (2) In the strong-coupling limit the bound states are Mott-Hubbard excitons, i.e., particles in the upper Hubbard band bound to holes in the lower Hubbard band. These bound states occur in doublets of even and odd parity excitons. Triplet excitons are magnons bound to the singlet excitons, and hence are degenerate with their singlet counterparts. (3) In the intermediate-coupling regime Mott-Wannier excitons are the more appropriate description for large dimerization, while for the undimerized chain Mott-Hubbard excitons are the correct description. For dimerizations relevant to polyacetylene and polydiacetylene both Mott-Hubbard and Mott-Wannier excitons are present. (4) For all coupling strengths an infinite number of bound states exist for 1/r interactions for an infinite polymer. As a result of the discreteness of the lattice and the restrictions on the exciton wave functions in one dimension, the progression of states does not follow the Rydberg series. In practice, excitons whose particle-hole separation exceeds the length of the polymer

Site descriptive modelling during characterization for a geological repository for nuclear waste in Sweden

International Nuclear Information System (INIS)

Stroem, A.; Andersson, J.; Skagius, K.; Winberg, A.

2008-01-01

The Swedish programme for geological disposal of spent nuclear fuel is approaching major milestones in the form of permit applications for an encapsulation plant and a deep geologic repository. This paper presents an overview of the bedrock and surface modelling work that comprises a major part of the on-going site characterization in Sweden and that results in syntheses of the sites, called site descriptions. The site description incorporates descriptive models of the site and its regional setting, including the current state of the geosphere and the biosphere as well as natural processes affecting long-term evolution. The site description is intended to serve the needs of both repository engineering with respect to layout and construction, and safety assessment, with respect to long-term performance. The development of site-descriptive models involves a multi-disciplinary interpretation of geology, rock mechanics, thermal properties, hydrogeology, hydrogeochemistry, transport properties and ecosystems using input in the form of available data for the surface and from deep boreholes

Thermal site descriptive model. A strategy for the model development during site investigations - version 2

International Nuclear Information System (INIS)

Back, Paer-Erik; Sundberg, Jan

2007-09-01

This report presents a strategy for describing, predicting and visualising the thermal aspects of the site descriptive model. The strategy is an updated version of an earlier strategy applied in all SDM versions during the initial site investigation phase at the Forsmark and Oskarshamn areas. The previous methodology for thermal modelling did not take the spatial correlation fully into account during simulation. The result was that the variability of thermal conductivity in the rock mass was not sufficiently well described. Experience from earlier thermal SDMs indicated that development of the methodology was required in order describe the spatial distribution of thermal conductivity in the rock mass in a sufficiently reliable way, taking both variability within rock types and between rock types into account. A good description of the thermal conductivity distribution is especially important for the lower tail. This tail is important for the design of a repository because it affects the canister spacing. The presented approach is developed to be used for final SDM regarding thermal properties, primarily thermal conductivity. Specific objectives for the strategy of thermal stochastic modelling are: Description: statistical description of the thermal conductivity of a rock domain. Prediction: prediction of thermal conductivity in a specific rock volume. Visualisation: visualisation of the spatial distribution of thermal conductivity. The thermal site descriptive model should include the temperature distribution and thermal properties of the rock mass. The temperature is the result of the thermal processes in the repository area. Determination of thermal transport properties can be made using different methods, such as laboratory investigations, field measurements, modelling from mineralogical composition and distribution, modelling from density logging and modelling from temperature logging. The different types of data represent different scales, which has to be

Thermal site descriptive model. A strategy for the model development during site investigations - version 2

Energy Technology Data Exchange (ETDEWEB)

Back, Paer-Erik; Sundberg, Jan [Geo Innova AB (Sweden)

2007-09-15

This report presents a strategy for describing, predicting and visualising the thermal aspects of the site descriptive model. The strategy is an updated version of an earlier strategy applied in all SDM versions during the initial site investigation phase at the Forsmark and Oskarshamn areas. The previous methodology for thermal modelling did not take the spatial correlation fully into account during simulation. The result was that the variability of thermal conductivity in the rock mass was not sufficiently well described. Experience from earlier thermal SDMs indicated that development of the methodology was required in order describe the spatial distribution of thermal conductivity in the rock mass in a sufficiently reliable way, taking both variability within rock types and between rock types into account. A good description of the thermal conductivity distribution is especially important for the lower tail. This tail is important for the design of a repository because it affects the canister spacing. The presented approach is developed to be used for final SDM regarding thermal properties, primarily thermal conductivity. Specific objectives for the strategy of thermal stochastic modelling are: Description: statistical description of the thermal conductivity of a rock domain. Prediction: prediction of thermal conductivity in a specific rock volume. Visualisation: visualisation of the spatial distribution of thermal conductivity. The thermal site descriptive model should include the temperature distribution and thermal properties of the rock mass. The temperature is the result of the thermal processes in the repository area. Determination of thermal transport properties can be made using different methods, such as laboratory investigations, field measurements, modelling from mineralogical composition and distribution, modelling from density logging and modelling from temperature logging. The different types of data represent different scales, which has to be

Ferromagnetism and temperature-dependent electronic structure in metallic films

International Nuclear Information System (INIS)

Herrmann, T.

1999-01-01

In this work the influence of the reduced translational symmetry on the magnetic properties of thin itinerant-electron films and surfaces is investigated within the strongly correlated Hubbard model. Firstly, the possibility of spontaneous ferromagnetism in the Hubbard model is discussed for the case of systems with full translational symmetry. Different approximation schemes for the solution of the many-body problem of the Hubbard model are introduced and discussed in detail. It is found that it is vital for a reasonable description of spontaneous ferromagnetism to be consistent with exact results concerning the general shape of the single-electron spectral density in the limit of strong Coulomb interaction between the electrons. The temperature dependence of the ferromagnetic solutions is discussed in detail by use of the magnetization curves as well as the spin-dependent quasi particle spectrum. For the investigation of thin films and surfaces the approximation schemes for the bulk system have to be generalized to deal with the reduced translational symmetry. The magnetic behavior of thin Hubbard films is investigated by use of the layer dependent magnetization as a function of temperature as well as the thickness of the film. The Curie-temperature is calculated as a function of the film thickness. Further, the magnetic stability at the surface is discussed in detail. Here it is found that for strong Coulomb interaction the magnetic stability at finite temperatures is reduced at the surface compared to the inner layers. This observation clearly contradicts the well-known Stoner picture of band magnetism and can be explained in terms of general arguments which are based on exact results in the limit of strong Coulomb interaction. The magnetic behavior of the Hubbard films can be analyzed in detail by inspecting the local quasi particle density of states as well as the wave vector dependent spectral density. The electronic structure is found to be strongly spin

Biotrans functional and technical description. Report of VIEWLS WP5, modelling studies

International Nuclear Information System (INIS)

Van Tilburg, X.; Egging, R.; Londo, H.M.

2006-01-01

The overall objectives of this project are to provide structured and clear data on the availability and performance of biofuels and to identify the possibilities and strategies towards large scale sustainable production, use and trading of biofuels for the transport sector in Europe, including Central and Eastern European Countries (CEEC). The report supplements the two other reports in the work package: 'Biofuel and Bio-energy implementation scenarios - final report of VIEWLS WP5' (2005) and 'VIEWLS modelling and analysis, technical data for biofuel production chains' (2005). This document contains a functional and technical description of the BioTrans model, accompanied by a description of the system. Section 2 contains a conceptual and functional description of the biofuel model. Section 3 describes the optimisation method in technical terms, discussing aspects like the target function and constraints used. Finally, section 4 discusses the input and output requirements for the BioTrans system

The description of neutron and giant resonances within the quasiparticle-phonon nuclear model

International Nuclear Information System (INIS)

Soloviev, V.G.

1978-01-01

The general assumptions of the quasiparticle-phonon model of complex nuclei are given. The choice of the model Hamiltonian as an average field and residual forces is discussed. The phonon description and quasiparticle-phonon interaction are presented. The system of basic equations and their approximate solutions are obtained. The approximation is chosen so as to obtain the most correct description of few-quasiparticle components rather than of the whole wave function. The method of strength functions is presented, which plays a decisive role in practical realization of the quasiparticle-phonon model for the description of some properties of complex nuclei. The range of applicability of the quasiparticle-phonon nuclear model is determined as few-quasiparticle components of the wave functions at low, intermediate and high excitation energies averaged in a certain energy interval. The fragmentation of single-particle states in deformed nuclei is studied within this model. The dependence of neutron strength functions on the excitation energy is investigated for the transfer reactions of the type (d,p) and (d,t). The s - ,p - , and d-wave neutron strength functions are calculated at the neutron binding energy Bsub(n). A satisfactory agreement with experiment is obtained. A correct description of the radiative strength functions in spherical nuclei is obtained. The influence of the tail of the giant dipole resonance on the E1-strength functions is studied. The energies and EΛ-strength functions for giant multipole resonances in spherical and deformed nuclei are calculated. A correct description of their widths is obtained. (author)

Soil bacterial communities of a calcium-supplemented and a reference watershed at the Hubbard Brook Experimental Forest (HBEF), New Hampshire, USA

Science.gov (United States)

Ganapathi Sridevi; Rakesh Minocha; Swathi A. Turlapati; Katherine C. Goldfarb; Eoin L. Brodie; Louis S. Tisa; Subhash C. Minocha

2012-01-01

Soil Ca depletion because of acidic deposition-related soil chemistry changes has led to the decline of forest productivity and carbon sequestration in the northeastern USA. In 1999, acidic watershed (WS) 1 at the Hubbard Brook Experimental Forest (HBEF), NH, USA was amended with Ca silicate to restore soil Ca pools. In 2006, soil samples were collected from the Ca-...

Progress towards an effective model for FeSe from high-accuracy first-principles quantum Monte Carlo

Science.gov (United States)

Busemeyer, Brian; Wagner, Lucas K.

While the origin of superconductivity in the iron-based materials is still controversial, the proximity of the superconductivity to magnetic order is suggestive that magnetism may be important. Our previous work has suggested that first-principles Diffusion Monte Carlo (FN-DMC) can capture magnetic properties of iron-based superconductors that density functional theory (DFT) misses, but which are consistent with experiment. We report on the progress of efforts to find simple effective models consistent with the FN-DMC description of the low-lying Hilbert space of the iron-based superconductor, FeSe. We utilize a procedure outlined by Changlani et al.[1], which both produces parameter values and indications of whether the model is a good description of the first-principles Hamiltonian. Using this procedure, we evaluate several models of the magnetic part of the Hilbert space found in the literature, as well as the Hubbard model, and a spin-fermion model. We discuss which interaction parameters are important for this material, and how the material-specific properties give rise to these interactions. U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Scientific Discovery through Advanced Computing (SciDAC) program under Award No. FG02-12ER46875, as well as the NSF Graduate Research Fellowship Program.

Toy models for wrapping effects

International Nuclear Information System (INIS)

Penedones, Joao; Vieira, Pedro

2008-01-01

The anomalous dimensions of local single trace gauge invariant operators in N = 4 supersymmetric Yang-Mills theory can be computed by diagonalizing a long range integrable Hamiltonian by means of a perturbative asymptotic Bethe ansatz. This formalism breaks down when the number of fields of the composite operator is smaller than the range of the Hamiltonian which coincides with the order in perturbation theory at study. We analyze two spin chain toy models which might shed some light on the physics behind these wrapping effects. One of them, the Hubbard model, is known to be closely related to N = 4 SYM. In this example, we find that the knowledge of the effective spin chain description is insufficient to reconstruct the finite size effects of the underlying electron theory. We compute the wrapping corrections for generic states and relate them to a Luscher like approach. The second toy models are long range integrable Hamiltonians built from the standard algebraic Bethe ansatz formalism. This construction is valid for any symmetry group. In particular, for non-compact groups it exhibits an interesting relation between wrapping interactions and transcendentality.

Instability of Nagaoka's Theorem within The Hubbard Model ...

African Journals Online (AJOL)

Hence the t – J model is a better model for studying magnetism than the t – U model. Investigation also revealed that the inclusion of the on-site Coulomb interaction term U, in the t – J model enhances ferromagnetic tendencies in the systems studied. In this work, Nagaoka's theorem on ferromagnetism has been extended ...

Quantum Monte Carlo simulations for high-Tc superconductors

International Nuclear Information System (INIS)

Muramatsu, A.; Dopf, G.; Wagner, J.; Dieterich, P.; Hanke, W.

1992-01-01

Quantum Monte Carlo simulations for a multi-band model of high-Tc superconductors are reviewed with special emphasis on the comparison of different observabels with experiments. It is shown that a give parameter set of the three-band Hubbard model leads to a consistent description of normal-state propteries as well as pairing correlation function for the copper-oxide superconductors as a function of doping and temperature. (orig.)

Quality Assurance Based on Descriptive and Parsimonious Appearance Models

DEFF Research Database (Denmark)

Nielsen, Jannik Boll; Eiríksson, Eyþór Rúnar; Kristensen, Rasmus Lyngby

2015-01-01

In this positional paper, we discuss the potential benefits of using appearance models in additive manufacturing, metal casting, wind turbine blade production, and 3D content acquisition. Current state of the art in acquisition and rendering of appearance cannot easily be used for quality assurance...... in these areas. The common denominator is the need for descriptive and parsimonious appearance models. By ‘parsimonious’ we mean with few parameters so that a model is useful both for fast acquisition, robust fitting, and fast rendering of appearance. The word ‘descriptive’ refers to the fact that a model should...

Coarse-grained description of cosmic structure from Szekeres models

International Nuclear Information System (INIS)

Sussman, Roberto A.; Gaspar, I. Delgado; Hidalgo, Juan Carlos

2016-01-01

We show that the full dynamical freedom of the well known Szekeres models allows for the description of elaborated 3-dimensional networks of cold dark matter structures (over-densities and/or density voids) undergoing ''pancake'' collapse. By reducing Einstein's field equations to a set of evolution equations, which themselves reduce in the linear limit to evolution equations for linear perturbations, we determine the dynamics of such structures, with the spatial comoving location of each structure uniquely specified by standard early Universe initial conditions. By means of a representative example we examine in detail the density contrast, the Hubble flow and peculiar velocities of structures that evolved, from linear initial data at the last scattering surface, to fully non-linear 10–20 Mpc scale configurations today. To motivate further research, we provide a qualitative discussion on the connection of Szekeres models with linear perturbations and the pancake collapse of the Zeldovich approximation. This type of structure modelling provides a coarse grained—but fully relativistic non-linear and non-perturbative —description of evolving large scale cosmic structures before their virialisation, and as such it has an enormous potential for applications in cosmological research

CSOIL 2000 an exposure model for human risk assessment of soil contamination. A model description

NARCIS (Netherlands)

Brand E; Otte PF; Lijzen JPA; LER

2007-01-01

This RIVM description of the CSOIL 2000 model deals, for the first time, with all aspects of the model. CSOIL 2000 can be used to derive intervention values. Intervention values are calculated for contaminated soil and represent a measure for determining when contaminated soil needs to be

Coupling of Hubbard fermions with phonons in La{sub 2} CuO{sub 4}: A combined study using density-functional theory and the generalized tight-binding method

Energy Technology Data Exchange (ETDEWEB)

Shneyder, E.I., E-mail: shneyder@iph.krasn.ru [Kirensky Institute of Physics SB RAS, Krasnoyarsk 660036 (Russian Federation); Reshetnev Siberian State Aerospace University, Krasnoyarsk 660014 (Russian Federation); Spitaler, J. [Materials Center Leoben Forschung GmbH, Rosegger-Straße 18, A-8700 Leoben (Austria); Kokorina, E.E.; Nekrasov, I.A. [Institute of Electrophysics UB RAS, Amundsena Str. 106, 620016 Yekaterinburg (Russian Federation); Gavrichkov, V.A. [Kirensky Institute of Physics SB RAS, Krasnoyarsk 660036 (Russian Federation); Draxl, C. [Physics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, Zum Großen Windkanal 6, 12489 Berlin (Germany); Ovchinnikov, S.G. [Kirensky Institute of Physics SB RAS, Krasnoyarsk 660036 (Russian Federation)

2015-11-05

We present results for the electron-phonon interaction of the Γ-point phonons in the tetragonal high-temperature phase of La{sub 2} CuO{sub 4} obtained from a hybrid scheme, combining density-functional theory (DFT) with the generalized tight-binding approach. As a starting point, eigenfrequencies and eigenvectors for the Γ-point phonons are determined from DFT within the frozen phonon approach utilizing the augmented plane wave + local orbitals method. The so obtained characteristics of electron-phonon coupling are converted into parameters of the generalized tight-binding method. This approach is a version of cluster perturbation theory and takes the strong on-site electron correlations into account. The obtained parameters describe the interaction of phonons with Hubbard fermions which form quasiparticle bands in strongly correlated electron systems. As a result, it is found that the Γ-point phonons with the strongest electron-phonon interaction are the A{sub 2u} modes (236 cm{sup −1}, 131 cm{sup −1} and 476 cm{sup −1}). Finally it is shown, that the single-electron spectral-weight redistribution between different Hubbard fermion quasiparticles results in a suppression of electron-phonon interaction which is strongest for the triplet Hubbard band with z oriented copper and oxygen electrons. - Highlights: • Electron-phonon interaction in strongly correlated electron systems is analyzed. • Interaction parameters between strongly correlated electrons and phonons are obtained. • The suppression of these parameters by strong electron correlations is demonstrated.

International Nuclear Model. Volume 3. Program description

International Nuclear Information System (INIS)

Andress, D.

1985-01-01

This is Volume 3 of three volumes of documentation of the International Nuclear Model (INM). This volume presents the Program Description of the International Nuclear Model, which was developed for the Nuclear and Alternate Fuels Division (NAFD), Office of Coal, Nuclear, Electric and Alternate Fuels, Energy Information Administration (EIA), US Department of Energy (DOE). The International Nuclear Model (INM) is a comprehensive model of the commercial nuclear power industry. It simulates economic decisions for reactor deployment and fuel management decision based on an input set of technical economic and scenario parameters. The technical parameters include reactor operating characteristics, fuel cycle timing and mass loss factors, and enrichment tails assays. Economic parameters include fuel cycle costs, financial data, and tax alternatives. INM has a broad range of scenario options covering, for example, process constraints, interregional activities, reprocessing, and fuel management selection. INM reports reactor deployment schedules, electricity generation, and fuel cycle requirements and costs. It also has specialized reports for extended burnup and permanent disposal. Companion volumes to Volume 3 are: Volume 1 - Model Overview, and Volume 2 - Data Base Relationships

Organization model and formalized description of nuclear enterprise information system

International Nuclear Information System (INIS)

Yuan Feng; Song Yafeng; Li Xudong

2012-01-01

Organization model is one of the most important models of Nuclear Enterprise Information System (NEIS). Scientific and reasonable organization model is the prerequisite that NEIS has robustness and extendibility, and is also the foundation of the integration of heterogeneous system. Firstly, the paper describes the conceptual model of the NEIS on ontology chart, which provides a consistent semantic framework of organization. Then it discusses the relations between the concepts in detail. Finally, it gives the formalized description of the organization model of NEIS based on six-tuple array. (authors)

Predicate Argument Structure Analysis for Use Case Description Modeling

Science.gov (United States)

Takeuchi, Hironori; Nakamura, Taiga; Yamaguchi, Takahira

In a large software system development project, many documents are prepared and updated frequently. In such a situation, support is needed for looking through these documents easily to identify inconsistencies and to maintain traceability. In this research, we focus on the requirements documents such as use cases and consider how to create models from the use case descriptions in unformatted text. In the model construction, we propose a few semantic constraints based on the features of the use cases and use them for a predicate argument structure analysis to assign semantic labels to actors and actions. With this approach, we show that we can assign semantic labels without enhancing any existing general lexical resources such as case frame dictionaries and design a less language-dependent model construction architecture. By using the constructed model, we consider a system for quality analysis of the use cases and automated test case generation to keep the traceability between document sets. We evaluated the reuse of the existing use cases and generated test case steps automatically with the proposed prototype system from real-world use cases in the development of a system using a packaged application. Based on the evaluation, we show how to construct models with high precision from English and Japanese use case data. Also, we could generate good test cases for about 90% of the real use cases through the manual improvement of the descriptions based on the feedback from the quality analysis system.

The Quantum Description of BF Model in Superspace

Directory of Open Access Journals (Sweden)

Manoj Kumar Dwivedi

2018-01-01

Full Text Available We consider the BRST symmetric four-dimensional BF theory, a topological theory, containing antisymmetric tensor fields in Landau gauge and extend the BRST symmetry by introducing a shift symmetry to it. Within this formulation, the antighost fields corresponding to shift symmetry coincide with antifields of standard field/antifield formulation. Furthermore, we provide a superspace description for the BF model possessing extended BRST and extended anti-BRST transformations.

Long-term calcium addition increases growth release, wound closure, and health of sugar maple (Acer saccharum) trees at the Hubbard Brook Experimental Forest

Science.gov (United States)

Brett A. Huggett; Paul G. Schaberg; Gary J. Hawley; Christopher Eager

2007-01-01

We surveyed and wounded forest-grown sugar maple (Acer saccharum Marsh.) trees in a long-term, replicated Ca manipulation study at the Hubbard Brook Experimental Forest in New Hampshire, USA. Plots received applications of Ca (to boost Ca availability above depleted ambient levels) or A1 (to compete with Ca uptake and further reduce Ca availability...

Description of a practice model for pharmacist medication review in a general practice setting

DEFF Research Database (Denmark)

Brandt, Mette; Hallas, Jesper; Hansen, Trine Graabæk

2014-01-01

BACKGROUND: Practical descriptions of procedures used for pharmacists' medication reviews are sparse. OBJECTIVE: To describe a model for medication review by pharmacists tailored to a general practice setting. METHODS: A stepwise model is described. The model is based on data from the medical chart...... no indication (n=47, 23%). Most interventions were aimed at cardiovascular drugs. CONCLUSION: We have provided a detailed description of a practical approach to pharmacists' medication review in a GP setting. The model was tested and found to be usable, and to deliver a medication review with high acceptance...

Effective action for superfluid Fermi systems in the strong-coupling limit

Science.gov (United States)

Dupuis, N.

2005-07-01

We derive the low-energy effective action for three-dimensional superfluid Fermi systems in the strong-coupling limit, where superfluidity originates from Bose-Einstein condensation of composite bosons. Taking into account density and pairing fluctuations on the same footing, we show that the effective action involves only the fermion density ρr and its conjugate variable, the phase θr of the pairing order parameter Δr . We recover the standard action of a Bose superfluid of density ρr/2 , where the bosons have a mass mB=2m and interact via a repulsive contact potential with amplitude gB=4πaB/mB,aB=2a ( a the s -wave scattering length associated to the fermion-fermion interaction in vacuum). For lattice models, the derivation of the effective action is based on the mapping of the attractive Hubbard model onto the Heisenberg model in a uniform magnetic field, and a coherent state path integral representation of the partition function. The effective description of the Fermi superfluid in the strong-coupling limit is a Bose-Hubbard model with an intersite hopping amplitude tB=J/2 and an on-site repulsive interaction UB=2Jz , where J=4t2/U ( t and -U are the intersite hopping amplitude and the on-site attraction in the (fermionic) Hubbard model, z the number of nearest-neighbor sites).

Study on the methodology for hydrogeological site descriptive modelling by discrete fracture networks

International Nuclear Information System (INIS)

Tanaka, Tatsuya; Ando, Kenichi; Hashimoto, Shuuji; Saegusa, Hiromitsu; Takeuchi, Shinji; Amano, Kenji

2007-01-01

This study aims to establish comprehensive techniques for site descriptive modelling considering the hydraulic heterogeneity due to the Water Conducting Features in fractured rocks. The WCFs was defined by the interpretation and integration of geological and hydrogeological data obtained from the deep borehole investigation campaign in the Mizunami URL project and Regional Hydrogeological Study. As a result of surface based investigation phase, the block-scale hydrogeological descriptive model was generated using hydraulic discrete fracture networks. Uncertainties and remaining issues associated with the assumption in interpreting the data and its modelling were addressed in a systematic way. (author)

Description of surface systems. Preliminary site description. Forsmark area Version 1.2

Energy Technology Data Exchange (ETDEWEB)

Lindborg, Tobias [ed.

2005-06-01

Swedish Nuclear Fuel and Waste Management Co (SKB) started site investigations for a deep repository for spent nuclear fuel in 2002 at two different sites in Sweden, Forsmark and Oskarshamn. The investigations should provide necessary information for a license application aimed at starting underground exploration. For this reason, ecosystem data need to be interpreted and assessed into site descriptive models, which in turn are used for safety assessment studies and for environmental impact assessment. Descriptions of the surface system are also needed for further planning of the site investigations. This report describes the surface ecosystems of the Forsmark site (e.g. hydrology, Quaternary deposits, chemistry, vegetation, animals and the human land use). The ecosystem description is an integration of the site and its regional setting, covering the current state of the biosphere as well as the ongoing natural processes affecting the longterm development. Improving the descriptions is important during both the initial and the complete site investigation phase. Before starting of the initial phase in Forsmark, version 0 of the site descriptive model was developed. The results of the initial site investigation phase is compiled into a preliminary site description of Forsmark (version 1.2) in June 2005. This report provides the major input and background to the biosphere description, in the 1.2 version of the Forsmark site description. The basis for this interim version is quality-assured field data from the Forsmark sub area and regional area, available in the SKB SICADA, and GIS data bases as of July 31th 2004 as well as version 1.1 of the Site Descriptive Model. To achieve an ecosystem site description there is a need to develop discipline-specific models by interpreting and analysing primary data. The different discipline-specific models are then integrated into a system describing interactions and flows and stocks of matter between and within functional units in

Description of surface systems. Preliminary site description. Forsmark area Version 1.2

International Nuclear Information System (INIS)

Lindborg, Tobias

2005-06-01

Swedish Nuclear Fuel and Waste Management Co (SKB) started site investigations for a deep repository for spent nuclear fuel in 2002 at two different sites in Sweden, Forsmark and Oskarshamn. The investigations should provide necessary information for a license application aimed at starting underground exploration. For this reason, ecosystem data need to be interpreted and assessed into site descriptive models, which in turn are used for safety assessment studies and for environmental impact assessment. Descriptions of the surface system are also needed for further planning of the site investigations. This report describes the surface ecosystems of the Forsmark site (e.g. hydrology, Quaternary deposits, chemistry, vegetation, animals and the human land use). The ecosystem description is an integration of the site and its regional setting, covering the current state of the biosphere as well as the ongoing natural processes affecting the longterm development. Improving the descriptions is important during both the initial and the complete site investigation phase. Before starting of the initial phase in Forsmark, version 0 of the site descriptive model was developed. The results of the initial site investigation phase is compiled into a preliminary site description of Forsmark (version 1.2) in June 2005. This report provides the major input and background to the biosphere description, in the 1.2 version of the Forsmark site description. The basis for this interim version is quality-assured field data from the Forsmark sub area and regional area, available in the SKB SICADA, and GIS data bases as of July 31th 2004 as well as version 1.1 of the Site Descriptive Model. To achieve an ecosystem site description there is a need to develop discipline-specific models by interpreting and analysing primary data. The different discipline-specific models are then integrated into a system describing interactions and flows and stocks of matter between and within functional units in

Gray-box modelling approach for description of storage tunnel

DEFF Research Database (Denmark)

Harremoës, Poul; Carstensen, Jacob

1999-01-01

The dynamics of a storage tunnel is examined using a model based on on-line measured data and a combination of simple deterministic and black-box stochastic elements. This approach, called gray-box modeling, is a new promising methodology for giving an on-line state description of sewer systems...... of the water in the overflow structures. The capacity of a pump draining the storage tunnel is estimated for two different rain events, revealing that the pump was malfunctioning during the first rain event. The proposed modeling approach can be used in automated online surveillance and control and implemented...

Description of transitional nuclei in the sdg boson model

International Nuclear Information System (INIS)

Lac, V.S.; Kuyucak, S.

1992-01-01

We study the transitional nuclei in the framework of the sdg boson model. This extension is necessitated by recent measurements of E2 and E4 transitions in the Pt and Os isotopes which can not be explained in the sd boson models. We show how γ-unstable and triaxial shapes arise from special choices of sdg model hamiltonians and discuss ways of limiting the number of free parameters through consistency and coherence conditions. A satisfactory description of E2 and E4 properties is obtained for the Pt and Os nuclei, which also predicts dynamic shape transitions in these nuclei. (orig.)

Description of transitional nuclei in the sdg boson model

Science.gov (United States)

Lac, V.-S.; Kuyucak, S.

1992-03-01

We study the transitional nuclei in the framework of the sdg boson model. This extension is necessitated by recent measurements of E2 and E4 transitions in the Pt and Os isotopes which can not be explained in the sd boson models. We show how γ-unstable and triaxial shapes arise from special choices of sdg model hamiltonians and discuss ways of limiting the number of free parameters through consistency and coherence conditions. A satisfactory description of E2 and E4 properties is obtained for the Pt and Os nuclei, which also predicts dynamic shape transitions in these nuclei.

Description of transitional nuclei in the sdg boson model

Energy Technology Data Exchange (ETDEWEB)

Lac, V.S.; Kuyucak, S. (School of Physics, Univ. Melbourne, Victoria (Australia))

1992-03-30

We study the transitional nuclei in the framework of the sdg boson model. This extension is necessitated by recent measurements of E2 and E4 transitions in the Pt and Os isotopes which can not be explained in the sd boson models. We show how {gamma}-unstable and triaxial shapes arise from special choices of sdg model hamiltonians and discuss ways of limiting the number of free parameters through consistency and coherence conditions. A satisfactory description of E2 and E4 properties is obtained for the Pt and Os nuclei, which also predicts dynamic shape transitions in these nuclei. (orig.).

Wind turbine blockset in Saber. General overview and description of the models

DEFF Research Database (Denmark)

Iov, Florin; Timbus, Adrian Vasile; Hansen, Anca Daniela

This report presents a new developed Saber Toolbox for wind turbine applications. This toolbox has been developed during the research project “Simulation Platform to model, optimize and design wind turbines”. The report provides a quick overview of the Saber and then explains the structure...... of this simulation package, which is different than other tools e.g. Matlab/Simulink. Then the structure of the toolbox is shown as well as the description of the developed models. The main focus here is to underline the special structure of the models, which are a mixture of Saber built-in blocks and new developed...... blocks. Since the developed models are based on Saber built-in blocks, a description of the libraries from Saber is given. Then some simulation results using the developed models are shown. Finally some general conclusions regarding this new developed Toolbox as well as some directions for future work...

Wind Turbine Blockset in Saber. General Overview and Description of the Model

DEFF Research Database (Denmark)

Iov, Florin; Timbus, Adrian Vasile; Hansen, A. D.

This report presents a new developed Saber Toolbox for wind turbine applications. This toolbox has been developed during the research project ?Simulation Platform to model, optimize and design wind turbines?. The report provides a quick overview of the Saber and then explains the structure...... of this simulation package, which is different than other tools e.g. Matlab/Simulink. Then the structure of the toolbox is shown as well as the description of the developed models. The main focus here is to underline the special structure of the models, which are a mixture of Saber built-in blocks and new developed...... blocks. Since the developed models are based on Saber built-in blocks, a description of the libraries from Saber is given. Then some simulation results using the developed models are shown. Finally some general conclusions regarding this new developed Toolbox as well as some directions for future work...

Description of mathematical models and computer programs

International Nuclear Information System (INIS)

1977-01-01

The paper gives a description of mathematical models and computer programs for analysing possible strategies for spent fuel management, with emphasis on economic analysis. The computer programs developed, describe the material flows, facility construction schedules, capital investment schedules and operating costs for the facilities used in managing the spent fuel. The computer programs use a combination of simulation and optimization procedures for the economic analyses. Many of the fuel cycle steps (such as spent fuel discharges, storage at the reactor, and transport to the RFCC) are described in physical and economic terms through simulation modeling, while others (such as reprocessing plant size and commissioning schedules, interim storage facility commissioning schedules etc.) are subjected to economic optimization procedures to determine the approximate lowest-cost plans from among the available feasible alternatives

EBT time-dependent point model code: description and user's guide

International Nuclear Information System (INIS)

Roberts, J.F.; Uckan, N.A.

1977-07-01

A D-T time-dependent point model has been developed to assess the energy balance in an EBT reactor plasma. Flexibility is retained in the model to permit more recent data to be incorporated as they become available from the theoretical and experimental studies. This report includes the physics models involved, the program logic, and a description of the variables and routines used. All the files necessary for execution are listed, and the code, including a post-execution plotting routine, is discussed

Perturbation expansion of the ground-state energy for the one-dimensional cyclic Hubbard system in the Hueckel limit

International Nuclear Information System (INIS)

Takahashi, M.; Bracken, P.; Cizek, J.; Paldus, J.

1995-01-01

The perturbation expansion coefficients for the ground-state energy of the half-filled one-dimensional Hubbard model with N = 4 ν + 2, (ν = 1,2,...) sites and satisfying cyclic boundary conditions were calculated in the Hueckel limit (U/β → 0), where β designates the one-electron hopping or resonance integral, and U, the two-electron on-site Coulomb integral. This was achieved by solving-order by order-the Lieb-Wu equations, a system of transcendental equations that determines the set of quasi-momenta (k i ) and spin variable τ α for this model. The exact values for these quantities were found for the N = 6 member ring up to the 20th order in terms of the coupling constant B = U/2β, as well as numerically for 10 ≤ N ≤ 50, and the N = 6 Lieb-Wu system was reduced to a system of sextic algebraic equations. These results are compared with those of the infinite system derived analytically by Misurkin and Ovchinnikov. It is further shown how the results of this article can be used for the interpolation by the root of a polynomial. It is demonstrated that a polynomial of relatively small degree provides a very good approximation for the energy in the intermediate coupling region. 20 refs., 3 tabs

Description of transitional nuclei in the sdg boson model

International Nuclear Information System (INIS)

Lac, V.S.; Kuyucak, S.

1992-01-01

The study of the transitional nuclei in the framework of the sdg boson model was necessitated by recent measurements of E2 and E4 transitions in the Pt and Os isotopes which can not be explained in the sd boson models. It is shown how γ-unstable and triaxial shapes arise from special choices of sdg model Hamiltonians. Ways of limiting the number of free parameters through consistency and coherence conditions are also discussed. A satisfactory description of E2 and E4 properties is obtained for the Pt and Os nuclei, which also predicts dynamic shape transitions in these nuclei. 36 refs., 10 tabs., 12 figs

Hydrogeochemical site descriptive model - a strategy for the model development during site investigations

International Nuclear Information System (INIS)

Smellie, John; Laaksoharju, Marcus; Tullborg, Eva-Lena

2002-12-01

In 2002, SKB commenced site characterisation investigations using deep boreholes at different sites. As an integral part of the planning work SKB has prepared a strategy to develop a Hydrogeochemical Site Descriptive Model; similar strategies have been developed for the other major geoscience disciplines. The main objectives of the Hydrogeochemical Site Descriptive Model are to describe the chemistry and distribution of the groundwater in the bedrock and overburden and the hydrogeochemical processes involved in its origin and evolution. This description is based primarily on measurements of the groundwater composition but incorporates the use of available geological and hydrogeological site descriptive models. The SKB hydrogeochemistry programme is planned to fulfil two basic requirements: 1) to provide representative and quality assured data for use as input parameter values in calculating long-term repository safety, and 2) to understand the present undisturbed hydrogeochemical conditions and how these conditions will change in the future. Parameter values for safety analysis include pH, Eh, S, SO 4 , HCO 3 , HPO 4 and TDS (mainly cations), together with colloids, fulvic and humic acids, other organics, bacteria and nitrogen. These values will be used to characterise the groundwater environment at, above and below repository depths. In the hydrogeochemical site investigation programme the number and location of the sampling points will be constrained by: a) geology (e.g. topography, overburden types, bedrock structures etc), b) hydrogeology (e.g. groundwater recharge/discharge areas, residence times), c) reliability (e.g. undisturbed vs disturbed groundwater chemical conditions), and d) resources (e.g. number and type of samples, and also available personnel, may be restricted by budgetary and schedule concerns). Naturally a balance is required between these constraints and the scientific aims of the programme. The constraints should never detrimentally affect

Description of surface systems. Preliminary site description Simpevarp sub area - Version 1.2

Energy Technology Data Exchange (ETDEWEB)

Lindborg, Tobias [ed.

2005-03-01

Swedish Nuclear Fuel and Waste Management Co is currently conducting site characterisation in the Simpevarp area. The area is divided into two subareas, the Simpevarp and the Laxemar subarea. The two subareas are surrounded by a common regional model area, the Simpevarp area. This report describes both the regional area and the subareas. This report is an interim version (model version 1.2) of the description of the surface systems at the Simpevarp area, and should be seen as a background report to the site description of the Simpevarp area, version 1.2, SKB-R--05-08. The basis for this description is quality-assured field data available in the SKB SICADA and GIS databases, together with generic data from the literature. The Surface system, here defined as everything above the bedrock, comprises a number of separate disciplines (e.g. hydrology, geology, topography, oceanography and ecology). Each discipline has developed descriptions and models for a number of properties that together represent the site description. The current methodology for developing the surface system description and the integration to ecosystem models is documented in a methodology strategy report SKB-R--03-06. The procedures and guidelines given in that report were followed in this report. Compared with version 1.1 of the surface system description SKB-R--04-25, this report presents considerable additional features, especially in the ecosystem description (Chapter 4) and in the description of the surface hydrology (Section 3.4). A first attempt has also been made to connect the flow of matter (carbon) between the different ecosystems into an overall ecosystem model at a landscape level. A summarised version of this report is also presented in SKB-R--05-08 together with geological-, hydrogeological-, transport properties-, thermal properties-, rock mechanics- and hydrogeochemical descriptions.

Description of surface systems. Preliminary site description Simpevarp sub area - Version 1.2

International Nuclear Information System (INIS)

Lindborg, Tobias

2005-03-01

Swedish Nuclear Fuel and Waste Management Co is currently conducting site characterisation in the Simpevarp area. The area is divided into two subareas, the Simpevarp and the Laxemar subarea. The two subareas are surrounded by a common regional model area, the Simpevarp area. This report describes both the regional area and the subareas. This report is an interim version (model version 1.2) of the description of the surface systems at the Simpevarp area, and should be seen as a background report to the site description of the Simpevarp area, version 1.2, SKB-R--05-08. The basis for this description is quality-assured field data available in the SKB SICADA and GIS databases, together with generic data from the literature. The Surface system, here defined as everything above the bedrock, comprises a number of separate disciplines (e.g. hydrology, geology, topography, oceanography and ecology). Each discipline has developed descriptions and models for a number of properties that together represent the site description. The current methodology for developing the surface system description and the integration to ecosystem models is documented in a methodology strategy report SKB-R--03-06. The procedures and guidelines given in that report were followed in this report. Compared with version 1.1 of the surface system description SKB-R--04-25, this report presents considerable additional features, especially in the ecosystem description (Chapter 4) and in the description of the surface hydrology (Section 3.4). A first attempt has also been made to connect the flow of matter (carbon) between the different ecosystems into an overall ecosystem model at a landscape level. A summarised version of this report is also presented in SKB-R--05-08 together with geological-, hydrogeological-, transport properties-, thermal properties-, rock mechanics- and hydrogeochemical descriptions

Electronic structure of EuN: Growth, spectroscopy, and theory

DEFF Research Database (Denmark)

Richter, J. H.; Ruck, B.J.; Simpson, M.

2011-01-01

and the lowest-lying 8S multiplet. The Hubbard-I model is also in good agreement with purely atomic multiplet calculations for the Eu M-edge XAS. LSDA+U and DMFT calculations find a metallic ground state, while QSGW results predict a direct band gap at X for EuN of about 0.9 eV that matches closely an absorption...... and QSGW models capture the density of conduction band states better than does LSDA+U. Only the Hubbard-I model contains a correct description of the Eu 4f atomic multiplets and locates their energies relative to the band states, and we see some evidence in XAS for hybridization between the conduction band...... edge seen in optical transmittance at 0.9 eV, and a smaller indirect gap. Overall, the combination of theoretical methods and spectroscopies provides insights into the complex nature of the electronic structure of this material. The results imply that EuN is a narrow-band-gap semiconductor that lies...

Improved object optimal synthetic description, modeling, learning, and discrimination by GEOGINE computational kernel

Science.gov (United States)

Fiorini, Rodolfo A.; Dacquino, Gianfranco

2005-03-01

GEOGINE (GEOmetrical enGINE), a state-of-the-art OMG (Ontological Model Generator) based on n-D Tensor Invariants for n-Dimensional shape/texture optimal synthetic representation, description and learning, was presented in previous conferences elsewhere recently. Improved computational algorithms based on the computational invariant theory of finite groups in Euclidean space and a demo application is presented. Progressive model automatic generation is discussed. GEOGINE can be used as an efficient computational kernel for fast reliable application development and delivery in advanced biomedical engineering, biometric, intelligent computing, target recognition, content image retrieval, data mining technological areas mainly. Ontology can be regarded as a logical theory accounting for the intended meaning of a formal dictionary, i.e., its ontological commitment to a particular conceptualization of the world object. According to this approach, "n-D Tensor Calculus" can be considered a "Formal Language" to reliably compute optimized "n-Dimensional Tensor Invariants" as specific object "invariant parameter and attribute words" for automated n-Dimensional shape/texture optimal synthetic object description by incremental model generation. The class of those "invariant parameter and attribute words" can be thought as a specific "Formal Vocabulary" learned from a "Generalized Formal Dictionary" of the "Computational Tensor Invariants" language. Even object chromatic attributes can be effectively and reliably computed from object geometric parameters into robust colour shape invariant characteristics. As a matter of fact, any highly sophisticated application needing effective, robust object geometric/colour invariant attribute capture and parameterization features, for reliable automated object learning and discrimination can deeply benefit from GEOGINE progressive automated model generation computational kernel performance. Main operational advantages over previous

Superconducting characteristics of the Penson-Kolb model

International Nuclear Information System (INIS)

Czart, W.R.; Robaszkiewicz, S.

2000-01-01

We study superconducting properties of the Penson-Kolb model, i. e. the tight-binding model with the pair-hopping (intersite charge exchange) interaction J. The evolution of the critical fields, the coherence length, the Ginzburg ratio, and London penetration depth with particle concentration n and pairing strength are determined. The results are compared with those found earlier for the attractive Hubbard model. (author)

Monte Carlo study of superconductivity in the three-band Emery model

International Nuclear Information System (INIS)

Frick, M.; Pattnaik, P.C.; Morgenstern, I.; Newns, D.M.; von der Linden, W.

1990-01-01

We have examined the three-band Hubbard model for the copper oxide planes in high-temperature superconductors using the projector quantum Monte Carlo method. We find no evidence for s-wave superconductivity

"A general benevolence dimension that links neural, psychological, economic, and life-span data on altruistic tendencies": Correction to Hubbard et al. (2016).

Science.gov (United States)

2016-10-01

Reports an error in "A general benevolence dimension that links neural, psychological, economic, and life-span data on altruistic tendencies" by Jason Hubbard, William T. Harbaugh, Sanjay Srivastava, David Degras and Ulrich Mayr ( Journal of Experimental Psychology: General , Advanced Online Publication, Aug 11, 2016, np). In the article, there was an error in the Task, Stimuli, and Procedures section. In the 1st sentence in the 6th paragraph, “Following the scanning phase, participants completed self-report questionnaires meant to reflected the Prosocial Disposition construct: the agreeableness scale from the Big F, which includes empathic concern and perspective-taking, and a scale of personality descriptive adjectives related to altruistic behavior (Wood, Nye, & Saucier, 2010).” should have read: “Following the scanning phase, participants completed self-report questionnaires that contained scales to reflect the Prosocial Disposition construct: the Big Five Inventory (BFI; John et al., 1991), from which we used the agreeableness scale to measure prosocial disposition; the Interpersonal Reactivity Index (IRI; Davis, 1980), from which we used the empathic concern and perspective-taking scales; and a scale of personality descriptive adjectives related to altruistic behavior (Wood, Nye, & Saucier, 2010).” (The following abstract of the original article appeared in record 2016-39037-001.) Individual and life span differences in charitable giving are an important economic force, yet the underlying motives are not well understood. In an adult, life span sample, we assessed manifestations of prosocial tendencies across 3 different measurement domains: (a) psychological self-report measures, (b) actual giving choices, and (c) fMRI-derived, neural indicators of “pure altruism.” The latter expressed individuals’ activity in neural valuation areas when charities received money compared to when oneself received money and thus reflected an altruistic concern for

Developing a model for the adequate description of electronic communication in hospitals.

Science.gov (United States)

Saboor, Samrend; Ammenwerth, Elske

2011-01-01

Adequate information and communication systems (ICT) can help to improve the communication in hospitals. Changes to the ICT-infrastructure of hospitals must be planed carefully. In order to support a comprehensive planning, we presented a classification of 81 common errors of the electronic communication on the MIE 2008 congress. Our objective now was to develop a data model that defines specific requirements for an adequate description of electronic communication processes We first applied the method of explicating qualitative content analysis on the error categorization in order to determine the essential process details. After this, we applied the method of subsuming qualitative content analysis on the results of the first step. A data model for the adequate description of electronic communication. This model comprises 61 entities and 91 relationships. The data model comprises and organizes all details that are necessary for the detection of the respective errors. It can be for either used to extend the capabilities of existing modeling methods or as a basis for the development of a new approach.

Thermodynamic approach to rheological modeling and simulations at the configuration space level of description

NARCIS (Netherlands)

Jongschaap, R.J.J.; Denneman, A.I.M.; Denneman, A.I.M.; Conrads, W.

1997-01-01

The so-called matrix model is a general thermodynamic framework for microrheological modeling. This model has already been proven to be applicable for a wide class of systems, in particular to models formulated at the configuration tensor level of description. For models formulated at the

Description of deformed nuclei in the sdg boson model

Energy Technology Data Exchange (ETDEWEB)

Li, S.C. [Australian National Univ., Canberra, ACT (Australia). Research School of Physical Sciences; Kuyucak, S. [Australian National Univ., Canberra, ACT (Australia). Research School of Physical Sciences

1996-07-15

We present a study of deformed nuclei in the framework of the sdg interacting boson model utilizing both numerical diagonalization and analytical 1/N expansion techniques. The focus is on the description of high-spin states which have recently become computationally accessible through the use of computer algebra in the 1/N expansion formalism. A systematic study is made of high-spin states in rare-earth and actinide nuclei. (orig.).

Description of deformed nuclei in the sdg boson model

Science.gov (United States)

Li, S. C.; Kuyucak, S.

1996-02-01

We present a study of deformed nuclei in the framework of the sdg interacting boson model utilizing both numerical diagonalization and analytical {1}/{N} expansion techniques. The focus is on the description of high-spin states which have recently become computationally accessible through the use of computer algebra in the {1}/{N} expansion formalism. A systematic study is made of high-spin states in rare-earth and actinide nuclei.

Description of deformed nuclei in the sdg boson model

International Nuclear Information System (INIS)

Li, S.C.; Kuyucak, S.

1996-01-01

We present a study of deformed nuclei in the framework of the sdg interacting boson model utilizing both numerical diagonalization and analytical 1/N expansion techniques. The focus is on the description of high-spin states which have recently become computationally accessible through the use of computer algebra in the 1/N expansion formalism. A systematic study is made of high-spin states in rare-earth and actinide nuclei. (orig.)

Olkiluoto site description 2006

International Nuclear Information System (INIS)

Andersson, J.; Ahokas, H.; Hudson, J.A.

2007-03-01

This second version of the Olkiluoto Site Report, produced by the OMTF (Olkiluoto Modelling Task Force), updates the Olkiluoto Site Report 2004 (Posiva 2005) with the data and knowledge obtained up to December 2005. The main product of the modelling has been to develop a descriptive model of the site (the Site Descriptive Model), i.e. a model describing the geometry, properties of the bedrock and the water and the associated interacting processes and mechanisms. For practical reasons, the Site Descriptive Model is divided into five parts: surface system, geology, rock mechanics, hydrogeology and hydrogeochemistry, which are presented in individual chapters. Four separated models are presented: the geological, rock mechanics, hydrogeological and hydrogeochemical models. The consistency between the hydrogeological and hydrogeochemical models is assessed in a joint chapter. Chapter 1 presents an outline of the report, explains the background to its development and sets out its objectives and scope. It is also introduces and explains the integrated modelling methodology, the nomenclature used in the descriptions of the models and the prediction/outcome studies. Chapter 2 provides a brief overview of the data used for producing the Site Description. Chapters 3 to 8 present the descriptive modelling, which involves interpreting data, interpolating or extrapolating between measurement points and calibrating the model against data, based on the various assumptions made about each conceptual model. Chapter 9 presents the results of the prediction/outcome studies performed during 2005 and Chapter 10 the overall consistency and confidence assessment. Overall conclusions are provided in Chapter 11. The main advances since Site Report 2004 are: A new geological model is presented in Chapter 4, representing a significant change from Bedrock Model 2003/1. There has been extensive use of geological data, whereas hydrogeological data have deliberately not been used and more

Effective action for superfluid Fermi systems in the strong-coupling limit

International Nuclear Information System (INIS)

Dupuis, N.

2005-01-01

We derive the low-energy effective action for three-dimensional superfluid Fermi systems in the strong-coupling limit, where superfluidity originates from Bose-Einstein condensation of composite bosons. Taking into account density and pairing fluctuations on the same footing, we show that the effective action involves only the fermion density ρ r and its conjugate variable, the phase θ r of the pairing order parameter Δ r . We recover the standard action of a Bose superfluid of density ρ r /2, where the bosons have a mass m B =2m and interact via a repulsive contact potential with amplitude g B =4πa B /m B ,a B =2a (a the s-wave scattering length associated to the fermion-fermion interaction in vacuum). For lattice models, the derivation of the effective action is based on the mapping of the attractive Hubbard model onto the Heisenberg model in a uniform magnetic field, and a coherent state path integral representation of the partition function. The effective description of the Fermi superfluid in the strong-coupling limit is a Bose-Hubbard model with an intersite hopping amplitude t B =J/2 and an on-site repulsive interaction U B =2Jz, where J=4t 2 /U (t and -U are the intersite hopping amplitude and the on-site attraction in the (fermionic) Hubbard model, z the number of nearest-neighbor sites)

Exact diagonalization library for quantum electron models

Science.gov (United States)

Iskakov, Sergei; Danilov, Michael

2018-04-01

We present an exact diagonalization C++ template library (EDLib) for solving quantum electron models, including the single-band finite Hubbard cluster and the multi-orbital impurity Anderson model. The observables that can be computed using EDLib are single particle Green's functions and spin-spin correlation functions. This code provides three different types of Hamiltonian matrix storage that can be chosen based on the model.

TERNIRBU: Description of model and individual evaluation of model performance for scenario S

International Nuclear Information System (INIS)

Kanyar, B.; Fueloep, N.

1996-01-01

The compartmental model used is realized as a procedure of the general purpose code TAMDYN for simulation, sensitivity and uncertainty calculations of dynamic models. More details of the model structure and parameters are given in the description of the VAMP MP Scenario CB. The difference between the climate in Finland and Central Bohemia was taken into consideration by shifting the seasonality function with 12 days' according to the weekly average temperature. The lake system and the contamination of fishes was simulated by the model SIRATEC used and validated in the BIOMOVS Scenario A5. The model was extended to two fish-compartments for roach and pike ones as a catanary system. For simulations the code TAMDYN was used. The doses were estimated from the time integrated concentrations of the proper components multiplied by the dose conversion factor. 4 figs

Healing models for organizations: description, measurement, and outcomes.

Science.gov (United States)

Malloch, K

2000-01-01

Healthcare leaders are continually searching for ways to improve their ability to provide optimal healthcare services, be financially viable, and retain quality caregivers, often feeling like such goals are impossible to achieve in today's intensely competitive environment. Many healthcare leaders intuitively recognize the need for more humanistic models and the probable connection with positive patient outcomes and financial success but are hesitant to make significant changes in their organizations because of the lack of model descriptions or documented recognition of the clinical and financial advantages of humanistic models. This article describes a study that was developed in response to the increasing work in humanistic or healing environment models and the need for validation of the advantages of such models. The healthy organization model, a framework for healthcare organizations that incorporates humanistic healing values within the traditional structure, is presented as a result of the study. This model addresses the importance of optimal clinical services, financial performance, and staff satisfaction. The five research-based organizational components that form the framework are described, and key indicators of organizational effectiveness over a five-year period are presented. The resulting empirical data are strongly supportive of the healing model and reflect positive outcomes for the organization.

Electronic transport in VO2—Experimentally calibrated Boltzmann transport modeling

International Nuclear Information System (INIS)

Kinaci, Alper; Rosenmann, Daniel; Chan, Maria K. Y.; Kado, Motohisa; Ling, Chen; Zhu, Gaohua; Banerjee, Debasish

2015-01-01

Materials that undergo metal-insulator transitions (MITs) are under intense study, because the transition is scientifically fascinating and technologically promising for various applications. Among these materials, VO 2 has served as a prototype due to its favorable transition temperature. While the physical underpinnings of the transition have been heavily investigated experimentally and computationally, quantitative modeling of electronic transport in the two phases has yet to be undertaken. In this work, we establish a density-functional-theory (DFT)-based approach with Hubbard U correction (DFT + U) to model electronic transport properties in VO 2 in the semiconducting and metallic regimes, focusing on band transport using the Boltzmann transport equations. We synthesized high quality VO 2 films and measured the transport quantities across the transition, in order to calibrate the free parameters in the model. We find that the experimental calibration of the Hubbard correction term can efficiently and adequately model the metallic and semiconducting phases, allowing for further computational design of MIT materials for desirable transport properties

Regional hydrogeological simulations for Forsmark - numerical modelling using CONNECTFLOW. Preliminary site description Forsmark area - version 1.2

Energy Technology Data Exchange (ETDEWEB)

Hartley, Lee; Cox, Ian; Hunter, Fiona; Jackson, Peter; Joyce, Steve; Swift, Ben [Serco Assurance, Risley (United Kingdom); Gylling, Bjoern; Marsic, Niko [Kemakta Konsult AB, Stockholm (Sweden)

2005-05-01

The Swedish Nuclear Fuel and Waste Management Company (SKB) carries out site investigations in two different candidate areas in Sweden with the objective of describing the in-situ conditions for a bedrock repository for spent nuclear fuel. The site characterisation work is divided into two phases, an initial site investigation phase (IPLU) and a complete site investigation phase (KPLU). The results of IPLU are used as a basis for deciding on a subsequent KPLU phase. On the basis of the KPLU investigations a decision is made as to whether detailed characterisation will be performed (including sinking of a shaft). An integrated component in the site characterisation work is the development of site descriptive models. These comprise basic models in three dimensions with an accompanying text description. Central in the modelling work is the geological model, which provides the geometrical context in terms of a model of deformation zones and the rock mass between the zones. Using the geological and geometrical description models as a basis, descriptive models for other geo-disciplines (hydrogeology, hydro-geochemistry, rock mechanics, thermal properties and transport properties) will be developed. Great care is taken to arrive at a general consistency in the description of the various models and assessment of uncertainty and possible needs of alternative models. Here, a numerical model is developed on a regional-scale (hundreds of square kilometres) to understand the zone of influence for groundwater flow that affects the Forsmark area. Transport calculations are then performed by particle tracking from a local-scale release area (a few square kilometres) to identify potential discharge areas for the site and using greater grid resolution. The main objective of this study is to support the development of a preliminary Site Description of the Forsmark area on a regional-scale based on the available data of 30 June 2004 and the previous Site Description. A more specific

Hydrogeological DFN modelling using structural and hydraulic data from KLX04. Preliminary site description Laxemar subarea - version 1.2

Energy Technology Data Exchange (ETDEWEB)

Follin, Sven [SF GeoLogic AB, Taeby (Sweden); Stigsson, Martin [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden); Svensson, Urban [Computer-aided Fluid Engineering AB, Norrkoeping (Sweden)

2006-04-15

SKB is conducting site investigations for a high-level nuclear waste repository in fractured crystalline rocks at two coastal areas in Sweden. The two candidate areas are named Forsmark and Simpevarp. The site characterisation work is divided into two phases, an initial site investigation phase (ISI) and a complete site investigation phase (CSI). The results of the ISI phase are used as a basis for deciding on the subsequent CSI phase. On the basis of the CSI investigations a decision is made as to whether detailed characterisation will be performed (including sinking of a shaft). An integrated component in the site characterisation work is the development of site descriptive models. These comprise basic models in three dimensions with an accompanying text description. Central in the modelling work is the geological model which provides the geometrical context in terms of a model of deformation zones and the less fractured rock mass between the zones. Using the geological and geometrical description models as a basis, descriptive models for other disciplines (surface ecosystems, hydrogeology, hydrogeochemistry, rock mechanics, thermal properties and transport properties) will be developed. Great care is taken to arrive at a general consistency in the description of the various models and assessment of uncertainty and possible needs of alternative models. The main objective of this study is to support the development of a hydrogeological DFN model (Discrete Fracture Network) for the Preliminary Site Description of the Laxemar area on a regional-scale (SDM version L1.2). A more specific objective of this study is to assess the propagation of uncertainties in the geological DFN modelling reported for L1.2 into the groundwater flow modelling. An improved understanding is necessary in order to gain credibility for the Site Description in general and the hydrogeological description in particular. The latter will serve as a basis for describing the present

Hydrogeological DFN modelling using structural and hydraulic data from KLX04. Preliminary site description Laxemar subarea - version 1.2

International Nuclear Information System (INIS)

Follin, Sven; Stigsson, Martin; Svensson, Urban

2006-04-01

SKB is conducting site investigations for a high-level nuclear waste repository in fractured crystalline rocks at two coastal areas in Sweden. The two candidate areas are named Forsmark and Simpevarp. The site characterisation work is divided into two phases, an initial site investigation phase (ISI) and a complete site investigation phase (CSI). The results of the ISI phase are used as a basis for deciding on the subsequent CSI phase. On the basis of the CSI investigations a decision is made as to whether detailed characterisation will be performed (including sinking of a shaft). An integrated component in the site characterisation work is the development of site descriptive models. These comprise basic models in three dimensions with an accompanying text description. Central in the modelling work is the geological model which provides the geometrical context in terms of a model of deformation zones and the less fractured rock mass between the zones. Using the geological and geometrical description models as a basis, descriptive models for other disciplines (surface ecosystems, hydrogeology, hydrogeochemistry, rock mechanics, thermal properties and transport properties) will be developed. Great care is taken to arrive at a general consistency in the description of the various models and assessment of uncertainty and possible needs of alternative models. The main objective of this study is to support the development of a hydrogeological DFN model (Discrete Fracture Network) for the Preliminary Site Description of the Laxemar area on a regional-scale (SDM version L1.2). A more specific objective of this study is to assess the propagation of uncertainties in the geological DFN modelling reported for L1.2 into the groundwater flow modelling. An improved understanding is necessary in order to gain credibility for the Site Description in general and the hydrogeological description in particular. The latter will serve as a basis for describing the present

Simulation model for wind energy storage systems. Volume III. Program descriptions. [SIMWEST CODE

Energy Technology Data Exchange (ETDEWEB)

Warren, A.W.; Edsinger, R.W.; Burroughs, J.D.

1977-08-01

The effort developed a comprehensive computer program for the modeling of wind energy/storage systems utilizing any combination of five types of storage (pumped hydro, battery, thermal, flywheel and pneumatic). An acronym for the program is SIMWEST (Simulation Model for Wind Energy Storage). The level of detail of SIMWEST is consistent with a role of evaluating the economic feasibility as well as the general performance of wind energy systems. The software package consists of two basic programs and a library of system, environmental, and load components. Volume III, the SIMWEST program description contains program descriptions, flow charts and program listings for the SIMWEST Model Generation Program, the Simulation program, the File Maintenance program and the Printer Plotter program. Volume III generally would not be required by SIMWEST user.

Aircraft/Air Traffic Management Functional Analysis Model: Technical Description. 2.0

Science.gov (United States)

Etheridge, Melvin; Plugge, Joana; Retina, Nusrat

1998-01-01

The Aircraft/Air Traffic Management Functional Analysis Model, Version 2.0 (FAM 2.0), is a discrete event simulation model designed to support analysis of alternative concepts in air traffic management and control. FAM 2.0 was developed by the Logistics Management Institute (LMI) under a National Aeronautics and Space Administration (NASA) contract. This document provides a technical description of FAM 2.0 and its computer files to enable the modeler and programmer to make enhancements or modifications to the model. Those interested in a guide for using the model in analysis should consult the companion document, Aircraft/Air Traffic Management Functional Analysis Model, Version 2.0 Users Manual.

A VRML-Based Data Portal: Hydrology of the Hubbard Brook Experimental Forest and Mirror Lake Sub-Basin

Science.gov (United States)

Becker, M. W.; Bursik, M. I.; Schuetz, J. W.

2001-05-01

The Hubbard Brook Experimental Forest (HBEF) of Central New Hampshire has been a focal point for collaborative hydrologic research for over 40 years. A tremendous amount of data from this area is available through the internet and other sources, but is not organized in a manner that facilitates teaching of hydrologic concepts. The Mirror Lake Watershed Interactive Teaching Database is making hydrologic data from the HBEF and associated interactive problem sets available to upper-level and post-graduate university students through a web-based resource. Hydrologic data are offered via a three-dimensional VRML (Virtual Reality Modeling Language) interface, that facilitates viewing and retrieval in a spatially meaningful manner. Available data are mapped onto a topographic base, and hot spots representing data collection points (e.g. weirs) lead to time-series displays (e.g. hydrographs) that provide a temporal link to the spatially organized data. Associated instructional exercises are designed to increase understanding of both hydrologic data and hydrologic methods. A pedagogical module concerning numerical ground-water modeling will be presented as an example. Numerical modeling of ground-water flow involves choosing the combination of hydrogeologic parameters (e.g. hydraulic conductivity, recharge) that cause model-predicted heads to best match measured heads in the aquifer. Choosing the right combination of parameters requires careful judgment based upon knowledge of the hydrogeologic system and the physics of ground-water flow. Unfortunately, students often get caught up in the technical aspects and lose sight of the fundamentals when working with real ground-water software. This module provides exercises in which a student chooses model parameters and immediately sees the predicted results as a 3-D VRML object. VRML objects are based upon actual Modflow model results corresponding to the range of model input parameters available to the student. This way, the

Guidelines for Description

NARCIS (Netherlands)

Links, P.; Horsman, Peter; Kühnel, Karsten; Priddy, M.; Reijnhoudt, Linda; Merenmies, Mark

2013-01-01

The Guidelines follow the conceptual metadata model (deliverable 17.2). They include guidelines for description of collection-holding institutions, document collections, organisations, personalities, events, camps and ghettos. As much as possible the guidelines comply with the descriptive standards

A Rigorous Investigation on the Ground State of the Penson-Kolb Model

Science.gov (United States)

Yang, Kai-Hua; Tian, Guang-Shan; Han, Ru-Qi

2003-05-01

By using either numerical calculations or analytical methods, such as the bosonization technique, the ground state of the Penson-Kolb model has been previously studied by several groups. Some physicists argued that, as far as the existence of superconductivity in this model is concerned, it is canonically equivalent to the negative-U Hubbard model. However, others did not agree. In the present paper, we shall investigate this model by an independent and rigorous approach. We show that the ground state of the Penson-Kolb model is nondegenerate and has a nonvanishing overlap with the ground state of the negative-U Hubbard model. Furthermore, we also show that the ground states of both the models have the same good quantum numbers and may have superconducting long-range order at the same momentum q = 0. Our results support the equivalence between these models. The project partially supported by the Special Funds for Major State Basic Research Projects (G20000365) and National Natural Science Foundation of China under Grant No. 10174002

Geological Site Descriptive Model. A strategy for the model development during site investigations

Energy Technology Data Exchange (ETDEWEB)

Munier, Raymond; Stenberg, Leif [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden); Stanfors, Roy [Roy Stanfors Consulting, Lund (Sweden); Milnes, Allan Geoffrey [GEA Consulting, Uppsala (Sweden); Hermanson, Jan [Golder Associates, Stockholm (Sweden); Triumf, Carl-Axel [Geovista, Luleaa (Sweden)

2003-04-01

The Swedish Nuclear Fuel and Waste Management Company (SKB) is at present conducting site investigations as a preliminary to building an underground nuclear waste disposal facility in Sweden. This report presents a methodology for constructing, visualising and presenting 3-dimensional geological models, based on data from the site investigations. The methodology integrates with the overall work-flow of the site investigations, from the collection of raw data to the complete site description, as proposed in several earlier technical reports. Further, it is specifically designed for interaction with SICADA - SKB's Site Characterisation Database - and RVS - SKB's Rock Visualisation System. This report is one in a series of strategy documents intended to demonstrate how modelling is to be performed within each discipline. However, it also has a wider purpose, since the geological site descriptive model provides the basic geometrical framework for all the other disciplines. Hence, the wider aim is to present a practical and clear methodology for the analysis and interpretation of input data for use in the construction of the geology-based 3D geometrical model. In addition to the various aspects of modelling described above, the methodology presented here should therefore also provide: guidelines and directives on how systematic interpretation and integration of geo-scientific data from the different investigation methods should be carried out; guidelines on how different geometries should be created in the geological models; guidelines on how the assignment of parameters to the different geological units in RVS should be accomplished; guidelines on the handling of uncertainty at different points in the interpretation process. In addition, it should clarify the relation between the geological model and other models used in the processes of site characterisation, repository layout and safety analysis. In particular, integration and transparency should be

Geological Site Descriptive Model. A strategy for the model development during site investigations

International Nuclear Information System (INIS)

Munier, Raymond; Stenberg, Leif; Stanfors, Roy; Milnes, Allan Geoffrey; Hermanson, Jan; Triumf, Carl-Axel

2003-04-01

The Swedish Nuclear Fuel and Waste Management Company (SKB) is at present conducting site investigations as a preliminary to building an underground nuclear waste disposal facility in Sweden. This report presents a methodology for constructing, visualising and presenting 3-dimensional geological models, based on data from the site investigations. The methodology integrates with the overall work-flow of the site investigations, from the collection of raw data to the complete site description, as proposed in several earlier technical reports. Further, it is specifically designed for interaction with SICADA - SKB's Site Characterisation Database - and RVS - SKB's Rock Visualisation System. This report is one in a series of strategy documents intended to demonstrate how modelling is to be performed within each discipline. However, it also has a wider purpose, since the geological site descriptive model provides the basic geometrical framework for all the other disciplines. Hence, the wider aim is to present a practical and clear methodology for the analysis and interpretation of input data for use in the construction of the geology-based 3D geometrical model. In addition to the various aspects of modelling described above, the methodology presented here should therefore also provide: guidelines and directives on how systematic interpretation and integration of geo-scientific data from the different investigation methods should be carried out; guidelines on how different geometries should be created in the geological models; guidelines on how the assignment of parameters to the different geological units in RVS should be accomplished; guidelines on the handling of uncertainty at different points in the interpretation process. In addition, it should clarify the relation between the geological model and other models used in the processes of site characterisation, repository layout and safety analysis. In particular, integration and transparency should be promoted. The

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

DEFF Research Database (Denmark)

Patrick, Christopher; Thygesen, Kristian Sommer

2016-01-01

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

LPJmL4 - a dynamic global vegetation model with managed land - Part 1: Model description

Science.gov (United States)

Schaphoff, Sibyll; von Bloh, Werner; Rammig, Anja; Thonicke, Kirsten; Biemans, Hester; Forkel, Matthias; Gerten, Dieter; Heinke, Jens; Jägermeyr, Jonas; Knauer, Jürgen; Langerwisch, Fanny; Lucht, Wolfgang; Müller, Christoph; Rolinski, Susanne; Waha, Katharina

2018-04-01

This paper provides a comprehensive description of the newest version of the Dynamic Global Vegetation Model with managed Land, LPJmL4. This model simulates - internally consistently - the growth and productivity of both natural and agricultural vegetation as coherently linked through their water, carbon, and energy fluxes. These features render LPJmL4 suitable for assessing a broad range of feedbacks within and impacts upon the terrestrial biosphere as increasingly shaped by human activities such as climate change and land use change. Here we describe the core model structure, including recently developed modules now unified in LPJmL4. Thereby, we also review LPJmL model developments and evaluations in the field of permafrost, human and ecological water demand, and improved representation of crop types. We summarize and discuss LPJmL model applications dealing with the impacts of historical and future environmental change on the terrestrial biosphere at regional and global scale and provide a comprehensive overview of LPJmL publications since the first model description in 2007. To demonstrate the main features of the LPJmL4 model, we display reference simulation results for key processes such as the current global distribution of natural and managed ecosystems, their productivities, and associated water fluxes. A thorough evaluation of the model is provided in a companion paper. By making the model source code freely available at https://gitlab.pik-potsdam.de/lpjml/LPJmL" target="_blank">https://gitlab.pik-potsdam.de/lpjml/LPJmL, we hope to stimulate the application and further development of LPJmL4 across scientific communities in support of major activities such as the IPCC and SDG process.

Effect of relevant umklapp process on the two-leg Hubbard ladder with a half-filled band under pressure

International Nuclear Information System (INIS)

Haddad, S.; Bennaceur, R.

1999-01-01

By means of perturbative renormalization approach we study the effect of relevant umklapp process on dimensional crossover caused by interladder one particle hopping t bot in weakly coupled two-leg Hubbard ladders with a half filled-band. We found that a crossover takes place at a finite value t botc which increases as the amplitude of umklapp process increases. For t bot botc the system undergoes a phase transition to the spin density wave phase (SDW) via the two particle hopping process, while for t bot >t botc the system undergoes a crossover to the two dimensional Fermi liquid phase via one particle hopping process. (orig.)

Active Vertex Model for cell-resolution description of epithelial tissue mechanics.

Science.gov (United States)

Barton, Daniel L; Henkes, Silke; Weijer, Cornelis J; Sknepnek, Rastko

2017-06-01

We introduce an Active Vertex Model (AVM) for cell-resolution studies of the mechanics of confluent epithelial tissues consisting of tens of thousands of cells, with a level of detail inaccessible to similar methods. The AVM combines the Vertex Model for confluent epithelial tissues with active matter dynamics. This introduces a natural description of the cell motion and accounts for motion patterns observed on multiple scales. Furthermore, cell contacts are generated dynamically from positions of cell centres. This not only enables efficient numerical implementation, but provides a natural description of the T1 transition events responsible for local tissue rearrangements. The AVM also includes cell alignment, cell-specific mechanical properties, cell growth, division and apoptosis. In addition, the AVM introduces a flexible, dynamically changing boundary of the epithelial sheet allowing for studies of phenomena such as the fingering instability or wound healing. We illustrate these capabilities with a number of case studies.

Stability of the antiferromagnetic state in the electron doped iridates

Science.gov (United States)

Bhowal, Sayantika; Moradi Kurdestany, Jamshid; Satpathy, Sashi

2018-06-01

Iridates such as Sr2IrO4 are of considerable interest owing to the formation of the Mott insulating state driven by a large spin–orbit coupling. However, in contrast to the expectation from the Nagaoka theorem that a single doped hole or electron destroys the anti-ferromagnetic (AFM) state of the half-filled Hubbard model in the large U limit, the anti-ferromagnetism persists in the doped Iridates for a large dopant concentration beyond half-filling. With a tight-binding description of the relevant states by the third-neighbor (t 1, t 2, t 3, U) Hubbard model on the square lattice, we examine the stability of the AFM state to the formation of a spin spiral state in the strong coupling limit. The third-neighbor interaction t 3 is important for the description of the Fermi surface of the electron doped system. A phase diagram in the parameter space is obtained for the regions of stability of the AFM state. Our results qualitatively explain the robustness of the AFM state in the electron doped iridate (such as Sr2‑x La x IrO4), observed in many experiments, where the AFM state continues to be stable until a critical dopant concentration.

Global warming description using Daisyworld model with greenhouse gases.

Science.gov (United States)

Paiva, Susana L D; Savi, Marcelo A; Viola, Flavio M; Leiroz, Albino J K

2014-11-01

Daisyworld is an archetypal model of the earth that is able to describe the global regulation that can emerge from the interaction between life and environment. This article proposes a model based on the original Daisyworld considering greenhouse gases emission and absorption, allowing the description of the global warming phenomenon. Global and local analyses are discussed evaluating the influence of greenhouse gases in the planet dynamics. Numerical simulations are carried out showing the general qualitative behavior of the Daisyworld for different scenarios that includes solar luminosity variations and greenhouse gases effect. Nonlinear dynamics perspective is of concern discussing a way that helps the comprehension of the global warming phenomenon. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Model and information abstraction for description-driven systems

International Nuclear Information System (INIS)

Estrella, F.; McClatchey, R.; Kovacs, Z.; Goff, J.-M.L.

2001-01-01

A crucial factor in the creation of adaptable systems dealing with changing requirements is the suitability of the underlying technology in allowing the evolution of the system. A reflective system utilizes an open architecture where implicit system aspects are reified to become explicit first-class (meta-data) objects. These implicit system aspects are often fundamental structures which are inaccessible and immutable, and their reification as meta-data objects can serve as the basis for changes and extensions to the system, making it self-describing. To address the evolvability issue, the author proposes a reflective architecture based on two orthogonal abstractions-model abstraction and information abstraction. In this architecture the modeling abstractions allow for the separation of the description meta-data from the system aspects they represent so that they can be managed and versioned independently, asynchronously and explicitly

Activated aging dynamics and effective trap model description in the random energy model

Science.gov (United States)

Baity-Jesi, M.; Biroli, G.; Cammarota, C.

2018-01-01

We study the out-of-equilibrium aging dynamics of the random energy model (REM) ruled by a single spin-flip Metropolis dynamics. We focus on the dynamical evolution taking place on time-scales diverging with the system size. Our aim is to show to what extent the activated dynamics displayed by the REM can be described in terms of an effective trap model. We identify two time regimes: the first one corresponds to the process of escaping from a basin in the energy landscape and to the subsequent exploration of high energy configurations, whereas the second one corresponds to the evolution from a deep basin to the other. By combining numerical simulations with analytical arguments we show why the trap model description does not hold in the former but becomes exact in the second.

Full-range stress–strain behaviour of contemporary pipeline steels: Part I. Model description

International Nuclear Information System (INIS)

Hertelé, Stijn; De Waele, Wim; Denys, Rudi; Verstraete, Matthias

2012-01-01

The stress–strain relationship of contemporary pipeline steels is often approximated by the relatively simple Ramberg–Osgood equation. However, these steels often show a more complex post-yield behaviour, which can result in significant errors. To address this limitation for cases where an accurate full-range description is needed, the authors developed a new ‘UGent’ stress–strain model which has two independent strain-hardening exponents. This paper compares the UGent model with the Ramberg–Osgood model for a wide range of experimental data, by means of least-squares curve fitting. A significant improvement is observed for contemporary pipeline steels with a yield-to-tensile ratio above 0.80. These steels typically exhibit two distinct stages of strain hardening. In contrast to the Ramberg–Osgood model, both stages are successfully described by the UGent model. A companion paper (Part II) discusses how to find appropriate model parameter values for the UGent model. - Highlights: ► Contemporary pipeline steels often show two strain-hardening stages. ► This phenomenon is progressively apparent as Y/T exceeds 0.80. ► Both stages cannot be simultaneously described by the Ramberg–Osgood model. ► A new “UGent” model provides significantly better descriptions. ► The improvement becomes more pronounced as Y/T increases.

Effects of doping on spin correlations in the periodic Anderson model

International Nuclear Information System (INIS)

Bonca, J.; Gubernatis, J.E.

1998-01-01

We studied the effects of hole doping on spin correlations in the two-dimensional periodic Anderson model, mainly at the full and three-quarters-full lower bands cases. In the full lower band case, strong antiferromagnetic correlations develop when the on-site repulsive interaction strength U becomes comparable to the quasiparticle bandwidth. In the three-quarters full case, a kind of spin correlation develops that is consistent with the resonance between a (π,0) and a (0,π) spin-density wave. In this state the spins on different sublattices appear uncorrelated. Hole doping away from the completely full case rapidly destroys the long-range antiferromagnetic correlations, in a manner reminiscent of the destruction of antiferromagnetism in the Hubbard model. In contrast to the Hubbard model, the doping does not shift the peak in the magnetic structure factor from the (π,π) position. At dopings intermediate to the full and three-quarters full cases, only weak spin correlations exist. copyright 1998 The American Physical Society

Updated strategy and test of new concepts for groundwater flow modelling in Forsmark in preparation of site descriptive modelling stage 2.2

Energy Technology Data Exchange (ETDEWEB)

Follin, Sven [SF GeoLogic AB (Sweden); Johansson, Per-Olof [Artesia Grundvattenkonsult AB (Sweden); Leven, Jakob [Geosigma AB (Sweden); Hartley, Lee; Holton, David; McCarthy, Rachel; Roberts, David [Serco Assurance (United Kingdom)

2007-01-15

As part of the preliminary Site Descriptive Modelling (SDM version 1.2) for the Initial Site Investigation (ISI) stage at Forsmark, Simpevarp and Laxemar, a methodology was developed for constructing hydrogeological models of the crystalline bedrock. The methodology achieved reasonable success given the restricted amounts and types of data available at the time. Notwithstanding, several issues of concern have surfaced following the reviews of the preliminary site descriptions of the three sites. Possible solutions to parts of the problems have been discussed internally for a longer time and an integrated view and strategy forward has been formulated. The 'new strategy' is not a complete shift in methodology, however, but a refocusing on and clarification of the key aspects that the hydrogeological SDM needs to accomplish. In broad terms the basic principle of the 'new strategy' suggested is to develop an overall conceptual model that first establishes the major flowing deformation zones, and then gradually approaches determination of the hydraulic properties of the bedrock outside these zones in the potential repository volume. On each scale, the focus of the description should be on features/structures of significance on that scale. Clearly, a detailed (although statistical) description of the repository and canister deposition hole scale is the end goal, but this approach (which also is more the traditional approach in hydrogeology) is judged to provide a much better motivated overall geometrical description. Furthermore, the 'new strategy' puts more emphasis on field testing (e.g. interference tests) and data analyses and less on numerical simulation and calibration. That is, before extensive (and costly) simulations and model calibrations are made it needs to be clearly understood what could be the potential gains of carrying them out. This report presents the conceptual model development for Forsmark in preparation of the site

Self-energies, renormalization factor, Luttinger sum rule and quasiparticle structure of the Hubbard systems

International Nuclear Information System (INIS)

Lopez-Aguilar, F.; Costa-Quintana, J.

1992-01-01

In this paper, the authors give a method for obtaining the renormalized electronic structure of the Hubbard systems. The first step is the determination of the self-energy beyond the Hartree-Fock approximation. This self-energy is constructed from several dielectric response functions. The second step is the determination of the quasiparticle band structure calculation which is performed from an appropriate modification of the augmented plane wave method. The third step consists in the determination of the renormalized density of states deduced from the spectral functions. The analysis of the renormalized density of states of the strongly correlated systems leads to the conclusion that there exist three types of resonances in their electronic structures, the lower energy resonances (LER), the middle energy resonances (MER) and the upper energy resonances (UER). In addition, the authors analyze the conditions for which the Luttinger theorem is satisfied. All of these questions are determined in a characteristic example which allows to test the theoretical method

Non-classical solutions of a continuum model for rock descriptions

Directory of Open Access Journals (Sweden)

Mikhail A. Guzev

2014-06-01

Full Text Available The strain-gradient and non-Euclidean continuum theories are employed for construction of non-classical solutions of continuum models. The linear approximation of both models' results in identical structures in terms of their kinematic and stress characteristics. The solutions obtained in this study exhibit a critical behaviour with respect to the external loading parameter. The conclusions are obtained based on an investigation of the solution for the scalar curvature in the non-Euclidean continuum theory. The proposed analysis enables us to use different theoretical approaches for description of rock critical behaviour under different loading conditions.

A functional integral approach without slave bosons to the Anderson model

International Nuclear Information System (INIS)

Nguyen Ngoc Thuan; Nguyen Toan Thang; Coqblin, B.; Bhattacharjee, A.; Hoang Anh Tuan.

1994-06-01

We developed the technique of the functional integral method without slave bosons for the Periodic Anderson Model (PAM) suggested by Sarker for treating the Hubbard Model. This technique allowed us to obtain an analytical expression of Green functions containing U-dependence that is omitted in the formalism with slave bosons. (author). 9 refs

Multi-scale modelling of ions in solution: from atomistic descriptions to chemical engineering

International Nuclear Information System (INIS)

Molina, J.J.

2011-01-01

Ions in solution play a fundamental role in many physical, chemical, and biological processes. The PUREX process used in the nuclear industry to the treatment of spent nuclear fuels is considered as an example. For industrial applications these systems are usually described using simple analytical models which are fitted to reproduce the available experimental data. In this work, we propose a multi-scale coarse graining procedure to derive such models from atomistic descriptions. First, parameters for classical force-fields of ions in solution are extracted from ab-initio calculations. Effective (McMillan-Mayer) ion-ion potentials are then derived from radial distribution functions measured in classical molecular dynamics simulations, allowing us to define an implicit solvent model of electrolytes. Finally, perturbation calculations are performed to define the best possible representation for these systems, in terms of charged hard-sphere models. Our final model is analytical and contains no free 'fitting' parameters. It shows good agreement with the exact results obtained from Monte-Carlo simulations for the thermodynamic and structural properties. Development of a similar model for the electrolyte viscosity, from information derived from atomistic descriptions, is also introduced. (author)

Bedrock hydrogeochemistry Forsmark. Site descriptive modelling SDM-Site Forsmark

Energy Technology Data Exchange (ETDEWEB)

Laaksoharju, Marcus [Geopoint AB, Sollentuna (Sweden); Smellie, John [Conterra AB, Partille (Sweden); Tullborg, Eva-Lena [Terralogica, Graabo (Sweden); Gimeno, Maria [Univ. of Zaragoza, Zaragoza (Spain); Hallbeck, Lotta [Microbial Analytics, Goeteborg (Sweden); Molinero, Jorge [Amphos XXI Consulting S.L., Barcelona (Spain); Waber, Nick [Univ. of Bern, Bern (Switzerland)

2008-12-15

The overall objectives of the hydrogeochemical site description for Forsmark are to establish a detailed understanding of the hydrogeochemical conditions at the site, and to use this understanding to develop models that address the needs identified by the safety assessment groups during the site investigation phase. Issues of concern to safety assessment are radionuclide transport and technical barrier behaviour, both of which are dependent on the chemistry of groundwater and porewater and their evolution with time. The specific aims of the hydrogeochemical work were: To document the hydrogeochemistry at the Forsmark site with focus on the development of conceptual models to describe and visualise the site. To provide relevant parameter values to be used for safety assessment calculations. To provide the hydrogeochemical basis for the modelling work by other teams, in particular hydrogeology. To take account of the feedback from the SR-Can safety assessment work that bears relevance to the hydrogeochemical modelling work. The work has involved the development of descriptive and mathematical models for groundwaters in relation to rock domains, fracture domains and deformation zones. In this report, the groundwaters have been interpreted in relation to their origin, evolution and composition, which require close integration with geological, climatological and hydrogeological information. Past climate changes are one of the major driving forces for long-term hydrogeochemical changes (hundreds to thousands of years) and are, therefore, of fundamental importance for understanding the palaeohydrogeological, palaeohydrogeochemical and present evolution of groundwater in the Fennoscandian crystalline bedrock. In contrast, redox buffer capacity of the bedrock will minimise the effects on changes in alkalinity and redox at repository depths, therefore limiting the variations in pH and Eh significantly, regardless of major changes in groundwater composition. There is

Bedrock hydrogeochemistry Forsmark. Site descriptive modelling SDM-Site Forsmark

International Nuclear Information System (INIS)

Laaksoharju, Marcus; Smellie, John; Tullborg, Eva-Lena; Gimeno, Maria; Hallbeck, Lotta; Molinero, Jorge; Waber, Nick

2008-12-01

The overall objectives of the hydrogeochemical site description for Forsmark are to establish a detailed understanding of the hydrogeochemical conditions at the site, and to use this understanding to develop models that address the needs identified by the safety assessment groups during the site investigation phase. Issues of concern to safety assessment are radionuclide transport and technical barrier behaviour, both of which are dependent on the chemistry of groundwater and porewater and their evolution with time. The specific aims of the hydrogeochemical work were: To document the hydrogeochemistry at the Forsmark site with focus on the development of conceptual models to describe and visualise the site. To provide relevant parameter values to be used for safety assessment calculations. To provide the hydrogeochemical basis for the modelling work by other teams, in particular hydrogeology. To take account of the feedback from the SR-Can safety assessment work that bears relevance to the hydrogeochemical modelling work. The work has involved the development of descriptive and mathematical models for groundwaters in relation to rock domains, fracture domains and deformation zones. In this report, the groundwaters have been interpreted in relation to their origin, evolution and composition, which require close integration with geological, climatological and hydrogeological information. Past climate changes are one of the major driving forces for long-term hydrogeochemical changes (hundreds to thousands of years) and are, therefore, of fundamental importance for understanding the palaeohydrogeological, palaeohydrogeochemical and present evolution of groundwater in the Fennoscandian crystalline bedrock. In contrast, redox buffer capacity of the bedrock will minimise the effects on changes in alkalinity and redox at repository depths, therefore limiting the variations in pH and Eh significantly, regardless of major changes in groundwater composition. There is

Site descriptive modeling as a part of site characterization in Sweden - Concluding the surface based investigations

International Nuclear Information System (INIS)

Andersson, Johan; Winberg, Anders; Skagius, Kristina; Stroem, Anders; Lindborg, Tobias

2007-01-01

The Swedish Nuclear Fuel and Waste Management Co., SKB, is currently finalizing its surface based site investigations for the final repository for spent nuclear fuel in the municipalities of Oestharmnar (the Forsmark area) and Oskarshamn (the Simpevar/Laxemar area). The investigation data are assessed into a Site Descriptive Model, constituting a synthesis of geology, rock mechanics, thermal properties, hydrogeology, hydro-geochemistry, transport properties and a surface system description. Site data constitute a wide range of different measurement results. These data both need to be checked for consistency and to be interpreted into a format more amenable for three-dimensional modeling. The three-dimensional modeling (i.e. estimating the distribution of parameter values in space) is made in a sequence where the geometrical framework is taken from the geological models and in turn used by the rock mechanics, thermal and hydrogeological modeling. These disciplines in turn are partly interrelated, and also provide feedback to the geological modeling, especially if the geological description appears unreasonable when assessed together with the other data. Procedures for assessing the uncertainties and the confidence in the modeling have been developed during the course of the site modeling. These assessments also provide key input to the completion of the site investigation program. (authors)

Influence of trapping potentials on the phase diagram of bosonic atoms in optical lattices

International Nuclear Information System (INIS)

Giampaolo, S.M.; Illuminati, F.; Mazzarella, G.; De Siena, S.

2004-01-01

We study the effect of external trapping potentials on the phase diagram of bosonic atoms in optical lattices. We introduce a generalized Bose-Hubbard Hamiltonian that includes the structure of the energy levels of the trapping potential, and show that these levels are in general populated both at finite and zero temperature. We characterize the properties of the superfluid transition for this situation and compare them with those of the standard Bose-Hubbard description. We briefly discuss similar behaviors for fermionic systems

Review of Project SAFE: Comments on biosphere conceptual model description and risk assessment methodology

International Nuclear Information System (INIS)

Klos, Richard; Wilmot, Roger

2002-09-01

The Swedish Nuclear Fuel and Waste Management Company's (SKB's) most recent assessment of the safety of the Forsmark repository for low-level and intermediate-level waste (Project SAFE) is currently undergoing review by the Swedish regulators. As part of its review, the Swedish Radiation Protection Institute (SSI) identified that two components of SAFE require more detailed review: (i) the conceptual model description of the biosphere system, and (ii) SKB's risk assessment methodology. We have reviewed the biosphere system interaction matrix and how this has been used in the identification, justification and description of biosphere models for radiological assessment purposes. The risk assessment methodology has been reviewed considering in particular issues associated with scenario selection, assessment timescale, and the probability and risk associated with the well scenario. There is an extensive range of supporting information on which biosphere modelling in Project SAFE is based. However, the link between this material and the biosphere models themselves is not clearly set out. This leads to some contradictions and mis-matches between description and implementation. One example concerns the representation of the geosphere-biosphere interface. The supporting description of lakes indicates that interaction between groundwaters entering the biosphere through lake bed sediments could lead to accumulations of radionuclides in sediments. These sediments may become agricultural areas at some time in the future. In the numerical modelling of the biosphere carried out in Project SAFE, the direct accumulation of contaminants in bed sediments is not represented. Application of a more rigorous procedure to ensure numerical models are fit for purpose is recommended, paying more attention to issues associated with the geosphere-biosphere interface. A more structured approach to risk assessment would be beneficial, with a better explanation of the difference between

Descriptive and discourse-referential modifiers in a layered model of the noun phrase

DEFF Research Database (Denmark)

Rijkhoff, Jan

2008-01-01

This article argues that adnominal modifiers in a layered model of the noun phrase can be divided into two major subcategories: descriptive modifiers and discourse-referential modifiers. Whereas descriptive modifiers can be subdivided into classifying, qualifying, quantifying and localizing...... modifiers (section 2), discourse-referential modifiers in the noun phrase are concerned with the status of entities as referents in the world of discourse (section 3). I will pay particular attention to three issues: (i) formal reflections of the layered, semantic structure of the noun phrase (section 4...

Olkiluoto site description 2011

International Nuclear Information System (INIS)

2012-12-01

This fourth version of the Olkiluoto Site Report, produced by the OMTF (Olkiluoto Modelling Task Force), updates the Olkiluoto Site Report 2008 with the data and knowledge obtained up to December 2010. A descriptive model of the site (the Site Descriptive Model, SDM), i.e. a model describing the geological and hydrogeological structure of the site, properties of the bedrock and the groundwater and its flow, and the associated interacting processes and mechanisms. The SDM is divided into six parts: surface system, geology, rock mechanics, hydrogeology, hydrogeochemistry and transport properties

Olkiluoto site description 2011

Energy Technology Data Exchange (ETDEWEB)

NONE

2012-12-15

This fourth version of the Olkiluoto Site Report, produced by the OMTF (Olkiluoto Modelling Task Force), updates the Olkiluoto Site Report 2008 with the data and knowledge obtained up to December 2010. A descriptive model of the site (the Site Descriptive Model, SDM), i.e. a model describing the geological and hydrogeological structure of the site, properties of the bedrock and the groundwater and its flow, and the associated interacting processes and mechanisms. The SDM is divided into six parts: surface system, geology, rock mechanics, hydrogeology, hydrogeochemistry and transport properties.

Modeling RHIC using the standard machine formal accelerator description

International Nuclear Information System (INIS)

Pilat, F.; Trahern, C.G.; Wei, J.

1997-01-01

The Standard Machine Format (SMF) is a structured description of accelerator lattices which supports both the hierarchy of beam lines and generic lattice objects as well as those deviations (field errors, alignment efforts, etc.) associated with each component of the as-installed machine. In this paper we discuss the use of SMF to describe the Relativistic Heavy Ion Collider (RHIC) as well as the ancillary data structures (such as field quality measurements) that are necessarily incorporated into the RHIC SMF model. Future applications of SMF are outlined, including its use in the RHIC operational environment

Issues in Developing a Normative Descriptive Model for Dyadic Decision Making

Science.gov (United States)

Serfaty, D.; Kleinman, D. L.

1984-01-01

Most research in modelling human information processing and decision making has been devoted to the case of the single human operator. In the present effort, concepts from the fields of organizational behavior, engineering psychology, team theory and mathematical modelling are merged in an attempt to consider first the case of two cooperating decisionmakers (the Dyad) in a multi-task environment. Rooted in the well-known Dynamic Decision Model (DDM), the normative descriptive approach brings basic cognitive and psychophysical characteristics inherent to human behavior into a team theoretic analytic framework. An experimental paradigm, involving teams in dynamic decision making tasks, is designed to produce the data with which to build the theoretical model.

Thermal modelling. Preliminary site description Simpevarp subarea - version 1.2

International Nuclear Information System (INIS)

Sundberg, Jan; Back, Paer-Erik; Bengtsson, Anna; Laendell, Maerta

2005-08-01

This report presents the thermal site descriptive model for the Simpevarp subarea, version 1.2. The main objective of this report is to present the thermal modelling work where data has been identified, quality controlled, evaluated and summarised in order to make an upscaling to lithological domain level possible. The thermal conductivity at possible canister scale has been modelled for four different lithological domains (RSMA01 (Aevroe granite), RSMB01 (Fine-grained dioritoid), RSMC01 (mixture of Aevroe granite and Quartz monzodiorite), and RSMD01 (Quartz monzodiorite)). A main modelling approach has been used to determine the mean value of the thermal conductivity. Three alternative/complementary approaches have been used to evaluate the spatial variability of the thermal conductivity at domain level. The thermal modelling approaches are based on the lithological model for the Simpevarp subarea, version 1.2 together with rock type models constituted from measured and calculated (from mineral composition) thermal conductivities. For one rock type, the Aevroe granite (501044), density loggings within the specific rock type has also been used in the domain modelling in order to consider the spatial variability within the Aevroe granite. This has been possible due to the presented relationship between density and thermal conductivity, valid for the Aevroe granite. Results indicate that the mean of thermal conductivity is expected to exhibit only a small variation between the different domains, from 2.62 W/(m.K) to 2.80 W/(m.K). The standard deviation varies according to the scale considered and for the canister scale it is expected to range from 0.20 to 0.28 W/(m.K). Consequently, the lower confidence limit (95% confidence) for the canister scale is within the range 2.04-2.35 W/(m.K) for the different domains. The temperature dependence is rather small with a decrease in thermal conductivity of 1.1-3.4% per 100 deg C increase in temperature for the dominating rock

Detonation and fragmentation modeling for the description of large scale vapor explosions

International Nuclear Information System (INIS)

Buerger, M.; Carachalios, C.; Unger, H.

1985-01-01

The thermal detonation modeling of large-scale vapor explosions is shown to be indispensable for realistic safety evaluations. A steady-state as well as transient detonation model have been developed including detailed descriptions of the dynamics as well as the fragmentation processes inside a detonation wave. Strong restrictions for large-scale vapor explosions are obtained from this modeling and they indicate that the reactor pressure vessel would even withstand explosions with unrealistically high masses of corium involved. The modeling is supported by comparisons with a detonation experiment and - concerning its key part - hydronamic fragmentation experiments. (orig.) [de

Hydrogeochemical site descriptive model - a strategy for the model development during site investigations

Energy Technology Data Exchange (ETDEWEB)

Smellie, John [Conterra AB, Uppsala (Sweden); Laaksoharju, Marcus [GeoPoint AB, Sollentuna (Sweden); Tullborg, Eva-Lena [Terralogica AB, Graabo (Sweden)

2002-12-01

In 2002, SKB commenced site characterisation investigations using deep boreholes at different sites. As an integral part of the planning work SKB has prepared a strategy to develop a Hydrogeochemical Site Descriptive Model; similar strategies have been developed for the other major geoscience disciplines. The main objectives of the Hydrogeochemical Site Descriptive Model are to describe the chemistry and distribution of the groundwater in the bedrock and overburden and the hydrogeochemical processes involved in its origin and evolution. This description is based primarily on measurements of the groundwater composition but incorporates the use of available geological and hydrogeological site descriptive models. The SKB hydrogeochemistry programme is planned to fulfil two basic requirements: 1) to provide representative and quality assured data for use as input parameter values in calculating long-term repository safety, and 2) to understand the present undisturbed hydrogeochemical conditions and how these conditions will change in the future. Parameter values for safety analysis include pH, Eh, S, SO{sub 4}, HCO{sub 3}, HPO{sub 4} and TDS (mainly cations), together with colloids, fulvic and humic acids, other organics, bacteria and nitrogen. These values will be used to characterise the groundwater environment at, above and below repository depths. In the hydrogeochemical site investigation programme the number and location of the sampling points will be constrained by: a) geology (e.g. topography, overburden types, bedrock structures etc), b) hydrogeology (e.g. groundwater recharge/discharge areas, residence times), c) reliability (e.g. undisturbed vs disturbed groundwater chemical conditions), and d) resources (e.g. number and type of samples, and also available personnel, may be restricted by budgetary and schedule concerns). Naturally a balance is required between these constraints and the scientific aims of the programme. The constraints should never

Discourse Model Representation of Referential and Attributive Descriptions.

Science.gov (United States)

Onishi, Kristine H.; Murphy, Gregory L.

2002-01-01

Manipulated shared knowledge and focus on specific entities, the verb in the sentence, and whether the description was definite or indefinite. Each factor influenced interpretation of the description. Confirmed that changing verbs alone affected reference choice. Indicated that both referentially and attributively introduced entities are…

Regional hydrogeological simulations. Numerical modelling using ConnectFlow. Preliminary site description Simpevarp sub area - version 1.2

Energy Technology Data Exchange (ETDEWEB)

Hartley, Lee; Hoch, Andrew; Hunter, Fiona; Jackson, Peter [Serco Assurance, Risley (United Kingdom); Marsic, Niko [Kemakta Konsult, Stockholm (Sweden)

2005-02-01

The Swedish Nuclear Fuel and Waste Management Company (SKB) carries out site investigations in two different candidate areas in Sweden with the objective of describing the in situ conditions for a bedrock repository for spent nuclear fuel. The two candidate areas are named Forsmark and Simpevarp. The site characterisation work is divided into two phases, an initial site investigation phase (IPLU) and a complete site investigation phase (KPLU). The results of IPLU are used as a basis for deciding on a subsequent KPLU phase. On the basis of the KPLU investigations a decision is made as to whether detailed characterisation will be performed (including sinking of a shaft).An integrated component in the site characterisation work is the development of site descriptive models. These comprise basic models in three dimensions with an accompanying text description. Central in the modelling work is the geological model which provides the geometrical context in terms of a model of deformation zones and the rock mass between the zones. Using the geological and geometrical description models as a basis, descriptive models for other geo-disciplines (hydrogeology, hydro-geochemistry, rock mechanics, thermal properties and transport properties) will be developed. Great care is taken to arrive at a general consistency in the description of the various models and assessment of uncertainty and possible needs of alternative models.Here, a numerical model is developed on a regional-scale (hundreds of square kilometres) to understand the zone of influence for groundwater flow that effects the Simpevarp area. Transport calculations are then performed by particle tracking from a local-scale release area (tens of square kilometres) to identify potential discharge areas for the site. The transport from the two site-scale release areas (a few square kilometres) at the Simpevarp site and the Laxemar site are also considered more specifically and using greater grid resolution.The main

Electronic transport in VO{sub 2}—Experimentally calibrated Boltzmann transport modeling

Energy Technology Data Exchange (ETDEWEB)

Kinaci, Alper; Rosenmann, Daniel; Chan, Maria K. Y., E-mail: debasish.banerjee@toyota.com, E-mail: mchan@anl.gov [Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Kado, Motohisa [Higashifuji Technical Center, Toyota Motor Corporation, Susono, Shizuoka 410-1193 (Japan); Ling, Chen; Zhu, Gaohua; Banerjee, Debasish, E-mail: debasish.banerjee@toyota.com, E-mail: mchan@anl.gov [Materials Research Department, Toyota Motor Engineering and Manufacturing North America, Inc., Ann Arbor, Michigan 48105 (United States)

2015-12-28

Materials that undergo metal-insulator transitions (MITs) are under intense study, because the transition is scientifically fascinating and technologically promising for various applications. Among these materials, VO{sub 2} has served as a prototype due to its favorable transition temperature. While the physical underpinnings of the transition have been heavily investigated experimentally and computationally, quantitative modeling of electronic transport in the two phases has yet to be undertaken. In this work, we establish a density-functional-theory (DFT)-based approach with Hubbard U correction (DFT + U) to model electronic transport properties in VO{sub 2} in the semiconducting and metallic regimes, focusing on band transport using the Boltzmann transport equations. We synthesized high quality VO{sub 2} films and measured the transport quantities across the transition, in order to calibrate the free parameters in the model. We find that the experimental calibration of the Hubbard correction term can efficiently and adequately model the metallic and semiconducting phases, allowing for further computational design of MIT materials for desirable transport properties.

Projected shell model description of N = 114 superdeformed isotone nuclei

International Nuclear Information System (INIS)

Guo, R S; Chen, L M; Chou, C H

2006-01-01

A systematic description of the yrast superdeformed (SD) bands in N 114, Z = 80-84 isotone nuclei using the projected shell model is presented. The calculated γ-ray energies, moment of inertia and M1 transitions are compared with the data for which spin is assigned. Excellent agreement with the available data for all isotones is obtained. The calculated electromagnetic properties provide a microscopic understanding of those measured nuclei. Some predictions in superdeformed nuclei are also discussed

Review of Project SAFE: Comments on biosphere conceptual model description and risk assessment methodology

Energy Technology Data Exchange (ETDEWEB)

Klos, Richard; Wilmot, Roger [Galson Sciences Ltd (United Kingdom)

2002-09-01

The Swedish Nuclear Fuel and Waste Management Company's (SKB's) most recent assessment of the safety of the Forsmark repository for low-level and intermediate-level waste (Project SAFE) is currently undergoing review by the Swedish regulators. As part of its review, the Swedish Radiation Protection Institute (SSI) identified that two components of SAFE require more detailed review: (i) the conceptual model description of the biosphere system, and (ii) SKB's risk assessment methodology. We have reviewed the biosphere system interaction matrix and how this has been used in the identification, justification and description of biosphere models for radiological assessment purposes. The risk assessment methodology has been reviewed considering in particular issues associated with scenario selection, assessment timescale, and the probability and risk associated with the well scenario. There is an extensive range of supporting information on which biosphere modelling in Project SAFE is based. However, the link between this material and the biosphere models themselves is not clearly set out. This leads to some contradictions and mis-matches between description and implementation. One example concerns the representation of the geosphere-biosphere interface. The supporting description of lakes indicates that interaction between groundwaters entering the biosphere through lake bed sediments could lead to accumulations of radionuclides in sediments. These sediments may become agricultural areas at some time in the future. In the numerical modelling of the biosphere carried out in Project SAFE, the direct accumulation of contaminants in bed sediments is not represented. Application of a more rigorous procedure to ensure numerical models are fit for purpose is recommended, paying more attention to issues associated with the geosphere-biosphere interface. A more structured approach to risk assessment would be beneficial, with a better explanation of the difference

A New Browser-based, Ontology-driven Tool for Generating Standardized, Deep Descriptions of Geoscience Models

Science.gov (United States)

Peckham, S. D.; Kelbert, A.; Rudan, S.; Stoica, M.

2016-12-01

Standardized metadata for models is the key to reliable and greatly simplified coupling in model coupling frameworks like CSDMS (Community Surface Dynamics Modeling System). This model metadata also helps model users to understand the important details that underpin computational models and to compare the capabilities of different models. These details include simplifying assumptions on the physics, governing equations and the numerical methods used to solve them, discretization of space (the grid) and time (the time-stepping scheme), state variables (input or output), model configuration parameters. This kind of metadata provides a "deep description" of a computational model that goes well beyond other types of metadata (e.g. author, purpose, scientific domain, programming language, digital rights, provenance, execution) and captures the science that underpins a model. While having this kind of standardized metadata for each model in a repository opens up a wide range of exciting possibilities, it is difficult to collect this information and a carefully conceived "data model" or schema is needed to store it. Automated harvesting and scraping methods can provide some useful information, but they often result in metadata that is inaccurate or incomplete, and this is not sufficient to enable the desired capabilities. In order to address this problem, we have developed a browser-based tool called the MCM Tool (Model Component Metadata) which runs on notebooks, tablets and smart phones. This tool was partially inspired by the TurboTax software, which greatly simplifies the necessary task of preparing tax documents. It allows a model developer or advanced user to provide a standardized, deep description of a computational geoscience model, including hydrologic models. Under the hood, the tool uses a new ontology for models built on the CSDMS Standard Names, expressed as a collection of RDF files (Resource Description Framework). This ontology is based on core concepts

HIGHWAY, a transportation routing model: program description and users' manual

International Nuclear Information System (INIS)

Joy, D.S.; Johnson, P.E.; Gibson, S.M.

1982-12-01

A computerized transportation routing model has been developed at the Oak Ridge National Laboratory to be used for predicting likely routes for shipping radioactive materials. The HIGHWAY data base is a computerized road atlas containing descriptions of the entire interstate highway system, the federal highway system, and most of the principal state roads. In addition to its prediction of the most likely commercial route, options incorporated in the HIGHWAY model can allow for maximum use of interstate highways or routes that will bypass urbanized areas containing populations > 100,000. The user may also interactively modify the data base to predict routes that bypass any particular state, city, town, or specific highway segment

Hardware description languages

Science.gov (United States)

Tucker, Jerry H.

1994-01-01

Hardware description languages are special purpose programming languages. They are primarily used to specify the behavior of digital systems and are rapidly replacing traditional digital system design techniques. This is because they allow the designer to concentrate on how the system should operate rather than on implementation details. Hardware description languages allow a digital system to be described with a wide range of abstraction, and they support top down design techniques. A key feature of any hardware description language environment is its ability to simulate the modeled system. The two most important hardware description languages are Verilog and VHDL. Verilog has been the dominant language for the design of application specific integrated circuits (ASIC's). However, VHDL is rapidly gaining in popularity.

Risk methodology for geologic disposal of radioactive waste: model description and user manual for Pathways model

International Nuclear Information System (INIS)

Helton, J.C.; Kaestner, P.C.

1981-03-01

A model for the environmental movement and human uptake of radionuclides is presented. This model is designated the Pathways-to-Man Model and was developed as part of a project funded by the Nuclear Regulatory Commission to design a methodology to assess the risk associated with the geologic disposal of high-level radioactive waste. The Pathways-to-Man Model is divided into two submodels. One of these, the Environmental Transport Model, represents the long-term distribution and accumulation of radionuclides in the environment. This model is based on a mixed-cell approach and describes radionuclide movement with a system of linear differential equations. The other, the Transport-to-Man Model, represents the movement of radionuclides from the environment to man. This model is based on concentration ratios. General descriptions of these models are provided in this report. Further, documentation is provided for the computer program which implements the Pathways Model

Tests of dielectric model descriptions of chemical charge displacements in water

International Nuclear Information System (INIS)

Tawa, G.J.; Pratt, L.R.

1994-01-01

A dielectric model of electrostatic solvation is applied to describe potentials of mean force in water along reaction paths for (a) pairing of sodium and/or chloride ions; (b) the symmetric S N 2 exchange of chloride in methylchloride; (c) nucleophilic attack of formaldehyde by hydroxide anion. For these cases simulation and XRISM results are available for comparison. The accuracy of model predictions varies from spectacular to poor. It is argued that: (a) dielectric models are physical models, even though simplistic and empirical; (b) their successes suggest that second-order perturbation theory is a physically sound description of free energies of electrostatic solvation; and (c) the most serious deficiency of the dielectric models lies in the definition of cavity volumes. Second-order perturbation theory should therefore be used to refine the dielectric models. These dielectric models make no attempt to assess the role of packing effects but for salvation of classical electrostatic interactions the dielectric models appear to perform as well as the more detailed XRISM theory

Quantum critical phenomena and conformal invariance

International Nuclear Information System (INIS)

Zhe Chang.

1995-05-01

We show that the Abelian bosonization of continuum limit of the 1D Hubbard model corresponds to the 2D explicitly conformal invariant Gaussian model at weak coupling limit. A universality argument is used to extend the equivalence to an entire segment of the critical line of the strongly correlated electron system. An integral equation satisfied by the mapping function between critical lines of the 1D Hubbard model and 2D Gaussian model is obtained and then solved in some limiting cases. By making use of the fact that the free Hubbard system reduces to four fermions and each of them is related to a c = 1/2 conformal field theory, we present exactly the partition function of the Hubbard model on a finite 1D lattice. (author). 16 refs

A Short Introduction to Model Selection, Kolmogorov Complexity and Minimum Description Length (MDL)

NARCIS (Netherlands)

Nannen, Volker

2010-01-01

The concept of overtting in model selection is explained and demon- strated. After providing some background information on information theory and Kolmogorov complexity, we provide a short explanation of Minimum Description Length and error minimization. We conclude with a discussion of the typical

Model potential for the description of metal/organic interface states

Science.gov (United States)

Armbrust, Nico; Schiller, Frederik; Güdde, Jens; Höfer, Ulrich

2017-01-01

We present an analytical one-dimensional model potential for the description of electronic interface states that form at the interface between a metal surface and flat-lying adlayers of π-conjugated organic molecules. The model utilizes graphene as a universal representation of these organic adlayers. It predicts the energy position of the interface state as well as the overlap of its wave function with the bulk metal without free fitting parameters. We show that the energy of the interface state depends systematically on the bond distance between the carbon backbone of the adayers and the metal. The general applicability and robustness of the model is demonstrated by a comparison of the calculated energies with numerous experimental results for a number of flat-lying organic molecules on different closed-packed metal surfaces that cover a large range of bond distances. PMID:28425444

Full-wave modeling of ICRF waves: global and quasi-local descriptions

International Nuclear Information System (INIS)

Dumont, R. J.

2007-01-01

Waves in the Ion Cyclotron Range of Frequencies (ICRF) undergo significant space dispersion as they propagate in magnetic fusion plasmas, making it necessary to incorporate non-local effects in their physical description. Full-wave codes are routinely employed to simulate ICRF heating experiments in tokamaks. The vast majority of these codes rely on a description of the plasma based on a 'quasi-local' derivation of the dielectric tensor, i.e. assuming that the range of space dispersion remains small compared to the system dimensions. However, non-local effects caused by wide particle orbits are expected to play a significant role in current and future experiments featuring wave-driven fast ions, fusion-born alpha particles... Global formalisms have thus been proposed to include these effects in a more comprehensive fashion. Based on a description of the particle dynamics in terms of action-angle variables, a full-wave code, named EVE, is currently under development. Its first version, presented here, incorporates quasi-local expressions valid to second order in Larmor radius, derived from the more general Hamiltonian formalism. The obtained tool has the advantage of being compatible with the current requirements of integrated modeling, and lends itself to direct comparisons with existing codes

The Colonization of Private Relationships by the Economic Discourse: A Critic to Descriptive Models of Company

Directory of Open Access Journals (Sweden)

Sergio Marcos Carvalho de Avila Negri

2015-12-01

Full Text Available Through the reconstructive method of approach and by adopting the communicative rationality habermasian as epistemological framework, this paper discusses the process of colonization of private relations by economic discourse in the corporate field. It examines, in particular, descriptive models of business relationships, as the nexus of contracts theory and dispute resolution forms as the "default rule" and the "hypothetical bargain." With a content analysis of these models, it investigates the hypothesis that there are non-problematized normative claims in the descriptions of business relationships and decision-making in the corporate field, such as specialization and efficiency while rationality parameters. It addresses procedural and substantive objections to the approached models.

Thermal modelling. Preliminary site description Simpevarp subarea - version 1.2

Energy Technology Data Exchange (ETDEWEB)

Sundberg, Jan; Back, Paer-Erik; Bengtsson, Anna; Laendell, Maerta [Geo Innova AB, Linkoeping (Sweden)

2005-08-15

This report presents the thermal site descriptive model for the Simpevarp subarea, version 1.2. The main objective of this report is to present the thermal modelling work where data has been identified, quality controlled, evaluated and summarised in order to make an upscaling to lithological domain level possible. The thermal conductivity at possible canister scale has been modelled for four different lithological domains (RSMA01 (Aevroe granite), RSMB01 (Fine-grained dioritoid), RSMC01 (mixture of Aevroe granite and Quartz monzodiorite), and RSMD01 (Quartz monzodiorite)). A main modelling approach has been used to determine the mean value of the thermal conductivity. Three alternative/complementary approaches have been used to evaluate the spatial variability of the thermal conductivity at domain level. The thermal modelling approaches are based on the lithological model for the Simpevarp subarea, version 1.2 together with rock type models constituted from measured and calculated (from mineral composition) thermal conductivities. For one rock type, the Aevroe granite (501044), density loggings within the specific rock type has also been used in the domain modelling in order to consider the spatial variability within the Aevroe granite. This has been possible due to the presented relationship between density and thermal conductivity, valid for the Aevroe granite. Results indicate that the mean of thermal conductivity is expected to exhibit only a small variation between the different domains, from 2.62 W/(m.K) to 2.80 W/(m.K). The standard deviation varies according to the scale considered and for the canister scale it is expected to range from 0.20 to 0.28 W/(m.K). Consequently, the lower confidence limit (95% confidence) for the canister scale is within the range 2.04-2.35 W/(m.K) for the different domains. The temperature dependence is rather small with a decrease in thermal conductivity of 1.1-3.4% per 100 deg C increase in temperature for the dominating rock

Bedrock hydrogeology Forsmark. Site descriptive modelling, SDM-Site Forsmark

Energy Technology Data Exchange (ETDEWEB)

Follin, Sven (SF GeoLogic AB, Taeby (Sweden))

2008-12-15

The Swedish Nuclear Fuel and Waste Management Company (SKB) has conducted site investigations at two different locations, the Forsmark and Laxemar-Simpevarp areas, with the objective of siting a final repository for spent nuclear fuel according to the KBS-3 concept. Site characterisation should provide all data required for an integrated evaluation of the suitability of the investigated site and an important component in the characterisation work is the development of a hydrogeological model. The hydrogeological model is used by repository engineering to design the underground facility and to develop a repository layout adapted to the site. It also provides input to the safety assessment. Another important use of the hydrogeological model is in the environmental impact assessment. This report presents the understanding of the hydrogeological conditions of the bedrock at Forsmark reached following the completion of the surface-based investigations and provides a summary of the bedrock hydrogeological model and the underlying data supporting its development. It constitutes the main reference on bedrock hydrogeology for the site descriptive model concluding the surface-based investigations at Forsmark, SDM-site, and is intended to describe the hydraulic properties and hydrogeological conditions of the bedrock at the site and to give the information essential for demonstrating understanding

Software Test Description (STD) for the Globally Relocatable Navy Tide/Atmospheric Modeling System (PCTides)

National Research Council Canada - National Science Library

Posey, Pamela

2002-01-01

The purpose of this Software Test Description (STD) is to establish formal test cases to be used by personnel tasked with the installation and verification of the Globally Relocatable Navy Tide/Atmospheric Modeling System (PCTides...

The use of mechanistic descriptions of algal growth and zooplankton grazing in an estuarine eutrophication model

Science.gov (United States)

Baird, M. E.; Walker, S. J.; Wallace, B. B.; Webster, I. T.; Parslow, J. S.

2003-03-01

A simple model of estuarine eutrophication is built on biomechanical (or mechanistic) descriptions of a number of the key ecological processes in estuaries. Mechanistically described processes include the nutrient uptake and light capture of planktonic and benthic autotrophs, and the encounter rates of planktonic predators and prey. Other more complex processes, such as sediment biogeochemistry, detrital processes and phosphate dynamics, are modelled using empirical descriptions from the Port Phillip Bay Environmental Study (PPBES) ecological model. A comparison is made between the mechanistically determined rates of ecological processes and the analogous empirically determined rates in the PPBES ecological model. The rates generally agree, with a few significant exceptions. Model simulations were run at a range of estuarine depths and nutrient loads, with outputs presented as the annually averaged biomass of autotrophs. The simulations followed a simple conceptual model of eutrophication, suggesting a simple biomechanical understanding of estuarine processes can provide a predictive tool for ecological processes in a wide range of estuarine ecosystems.

ASPEN: A fully kinetic, reduced-description particle-in-cell model for simulating parametric instabilities

International Nuclear Information System (INIS)

Vu, H.X.; Bezzerides, B.; DuBois, D.F.

1999-01-01

A fully kinetic, reduced-description particle-in-cell (RPIC) model is presented in which deviations from quasineutrality, electron and ion kinetic effects, and nonlinear interactions between low-frequency and high-frequency parametric instabilities are modeled correctly. The model is based on a reduced description where the electromagnetic field is represented by three separate temporal envelopes in order to model parametric instabilities with low-frequency and high-frequency daughter waves. Because temporal envelope approximations are invoked, the simulation can be performed on the electron time scale instead of the time scale of the light waves. The electrons and ions are represented by discrete finite-size particles, permitting electron and ion kinetic effects to be modeled properly. The Poisson equation is utilized to ensure that space-charge effects are included. The RPIC model is fully three dimensional and has been implemented in two dimensions on the Accelerated Strategic Computing Initiative (ASCI) parallel computer at Los Alamos National Laboratory, and the resulting simulation code has been named ASPEN. The authors believe this code is the first particle-in-cell code capable of simulating the interaction between low-frequency and high-frequency parametric instabilities in multiple dimensions. Test simulations of stimulated Raman scattering, stimulated Brillouin scattering, and Langmuir decay instability are presented

Thermal modelling. Preliminary site description. Forsmark area - version 1.2

Energy Technology Data Exchange (ETDEWEB)

Sundberg, Jan; Back, Paer-Erik; Bengtsson, Anna; Laendell, Maerta [Geo Innova AB, Linkoeping (Sweden)

2005-08-01

This report presents the thermal site descriptive model for the Forsmark area, version 1.2. The main objective of this report is to present the thermal modelling work where data has been identified, quality controlled, evaluated and summarised in order to make an upscaling to lithological domain level possible. The thermal conductivity at canister scale has been modelled for two different lithological domains (RFM029 and RFM012, both dominated by granite to granodiorite (101057)). A main modelling approach has been used to determine the mean value of the thermal conductivity. Two alternative/complementary approaches have been used to evaluate the spatial variability of the thermal conductivity at domain level. The thermal modelling approaches are based on the lithological model for the Forsmark area, version 1.2 together with rock type models constituted from measured and calculated (from mineral composition) thermal conductivities. Results indicate that the mean of thermal conductivity is expected to exhibit a small variation between the different domains, 3.46 W/(mxK) for RFM012 to 3.55 W/(mxK) for RFM029. The spatial distribution of the thermal conductivity does not follow a simple model. Lower and upper 95% confidence limits are based on the modelling results, but have been rounded of to only two significant figures. Consequently, the lower limit is 2.9 W/(mxK), while the upper is 3.8 W/(mxK). This is applicable to both the investigated domains. The temperature dependence is rather small with a decrease in thermal conductivity of 10.0% per 100 deg C increase in temperature for the dominating rock type. There are a number of important uncertainties associated with these results. One of the uncertainties considers the representative scale for the canister. Another important uncertainty is the methodological uncertainties associated with the upscaling of thermal conductivity from cm-scale to canister scale. In addition, the representativeness of rock samples is

A model-independent description of few-body system with strong interaction

International Nuclear Information System (INIS)

Simenog, I.V.

1985-01-01

In this contribution, the authors discuss the formulation of equations that provide model-independent description of systems of three and more nucleons irrespective of the details of the interaction, substantiate the approach, estimate the correction terms with respect to the force range, and give basic qualitative results obtained by means of the model-independent procedure. They consider three nucleons in the doublet state (spin S=I/2) taking into account only S-interaction. The elastic nd-scattering amplitude may be found from the model-independent equations that follow from the Faddeev equations in the short-range-force limit. They note that the solutions of several model-independent equations and basic results obtained with the use of this approach may serve both as a standard solution and starting point in the discussion of various conceptions concerning the details of nuclear interactions

The T-J model and superconductivity | Umo | Global Journal of Pure ...

African Journals Online (AJOL)

The t-J model written in terms of Hubbard operators is studied with a view to contributing to the search for the mechanism of high temperature superconductivity in the cuprates. The method of irreducible Green function is used to obtain the spectrum of quasiparticles excitation and d-wave pairing gap function.

Parameter-free one-center model potential for an effective one-electron description of molecular hydrogen

DEFF Research Database (Denmark)

Lühr, Armin Christian; Vanne, Yulian; Saenz, Alejandro

2008-01-01

For the description of an H2 molecule, an effective one-electron model potential is proposed which is fully determined by the exact ionization potential of the H2 molecule. In order to test the model potential and examine its properties, it is employed to determine excitation energies, transition...

Description of the CONTAIN input model for the Dodewaard nuclear power plant

International Nuclear Information System (INIS)

Velema, E.J.

1992-02-01

This report describes the ECN standard CONTAIN input model for the Dodewaard Nuclear Power Plant (NPP) that has been developed by ECN. This standard input model will serve as a basis for analyses of the phenomena which may occur inside the Dodewaard containment in the event of a postulated severe accident. Boundary conditions for specific containment analyses can easily be implemented in the input model. as a result ECN will be able to respond quickly on requests for analyses from the utilities of the authorities. The report also includes brief descriptions of the Dodewaard NPP and the CONTAIN computer program. (author). 7 refs.; 5 figs.; 3 tabs

[DESCRIPTION AND PRESENTATION OF THE RESULTS OF ELECTROENCEPHALOGRAM PROCESSING USING AN INFORMATION MODEL].

Science.gov (United States)

Myznikov, I L; Nabokov, N L; Rogovanov, D Yu; Khankevich, Yu R

2016-01-01

The paper proposes to apply the informational modeling of correlation matrix developed by I.L. Myznikov in early 1990s in neurophysiological investigations, such as electroencephalogram recording and analysis, coherence description of signals from electrodes on the head surface. The authors demonstrate information models built using the data from studies of inert gas inhalation by healthy human subjects. In the opinion of the authors, information models provide an opportunity to describe physiological processes with a high level of generalization. The procedure of presenting the EEG results holds great promise for the broad application.

RELAP5 Model Description and Validation for the BR2 Loss-of-Flow Experiments

Energy Technology Data Exchange (ETDEWEB)

Licht, J. R. [Argonne National Lab. (ANL), Argonne, IL (United States); Dionne, B. [Argonne National Lab. (ANL), Argonne, IL (United States); Van den Branden, G. [Argonne National Lab. (ANL), Argonne, IL (United States); Sikik, E. [Argonne National Lab. (ANL), Argonne, IL (United States); Koonen, E. [Argonne National Lab. (ANL), Argonne, IL (United States)

2015-07-01

This paper presents a description of the RELAP5 model, the calibration method used to obtain the minor loss coefficients from the available hydraulic data and the LOFA simulation results compared to the 1963 experimental tests for HEU fuel.

Deep hierarchical attention network for video description

Science.gov (United States)

Li, Shuohao; Tang, Min; Zhang, Jun

2018-03-01

Pairing video to natural language description remains a challenge in computer vision and machine translation. Inspired by image description, which uses an encoder-decoder model for reducing visual scene into a single sentence, we propose a deep hierarchical attention network for video description. The proposed model uses convolutional neural network (CNN) and bidirectional LSTM network as encoders while a hierarchical attention network is used as the decoder. Compared to encoder-decoder models used in video description, the bidirectional LSTM network can capture the temporal structure among video frames. Moreover, the hierarchical attention network has an advantage over single-layer attention network on global context modeling. To make a fair comparison with other methods, we evaluate the proposed architecture with different types of CNN structures and decoders. Experimental results on the standard datasets show that our model has a more superior performance than the state-of-the-art techniques.

An investigation into the description of patients' problems by nurses using two different needs-based nursing models.

Science.gov (United States)

Griffiths, P

1998-11-01

This paper describes an investigation into how nurses describe patients' problems and the possible effects of an espoused nursing model on these descriptions. A descriptive study was conducted on two medical wards in a Welsh District General Hospital. Data collected were subjected to content analysis using Gordon's Functional Health Patterns to order the data. The two wards investigated, whilst being very similar in many ways, utilized different nursing models. Findings showed that the nurses studied, when describing patients' problems, most commonly used medical diagnoses or the medical reasons for admission. Patients' problems identified predominately addressed bio-physical needs with scant attention given to psycho-social needs. Despite the use of two different nursing models the language and emphasis of problem description were very similar and there was no evidence of the application of the conceptual underpinnings of the two models. It is suggested that although the use of a ready-made nursing language may have drawbacks, the British nurse should understand and assess the value of the North American Nursing Diagnosis Association's (NANDA) nursing diagnoses. Without such involvement this system may be implemented in the United Kingdom (UK) without the input and influence of practising nurses.

Description of inelastic nucleus-nucleus interactions at medium energy using dual parton model

International Nuclear Information System (INIS)

Polanski, A.; Shmakov, S.Yu.; Uzhinskij, V.V.

1989-01-01

It is shown that the dual parton model taking into account the processes of diffraction dissociation to the low mass states and finite energy corrections to the asymptotic Abramovski-Gribov-Kancheli cutting rules allows satisfactory description of existing experimental data on hadron-nucleus and nucleus-nucleus interactions at medium energy. (orig.)

Application of the Rangeland Hydrology and Erosion Model to Ecological Site Descriptions and Management

Science.gov (United States)

The utility of Ecological Site Descriptions (ESDs) and State-and-Transition Models (STMs) concepts in guiding rangeland management hinges on their ability to accurately describe and predict community dynamics and the associated consequences. For many rangeland ecosystems, plant community dynamics ar...

Fermionic models with superconducting circuits

Energy Technology Data Exchange (ETDEWEB)

Las Heras, Urtzi; Garcia-Alvarez, Laura; Mezzacapo, Antonio; Lamata, Lucas [University of the Basque Country UPV/EHU, Department of Physical Chemistry, Bilbao (Spain); Solano, Enrique [University of the Basque Country UPV/EHU, Department of Physical Chemistry, Bilbao (Spain); IKERBASQUE, Basque Foundation for Science, Bilbao (Spain)

2015-12-01

We propose a method for the efficient quantum simulation of fermionic systems with superconducting circuits. It consists in the suitable use of Jordan-Wigner mapping, Trotter decomposition, and multiqubit gates, be with the use of a quantum bus or direct capacitive couplings. We apply our method to the paradigmatic cases of 1D and 2D Fermi-Hubbard models, involving couplings with nearest and next-nearest neighbours. Furthermore, we propose an optimal architecture for this model and discuss the benchmarking of the simulations in realistic circuit quantum electrodynamics setups. (orig.)

A note on the translation of conceptual data models into description logics: disjointness and covering assumptions

CSIR Research Space (South Africa)

Casini, G

2012-10-01

Full Text Available possibilities for conceptual data modeling. It also raises the question of how existing conceptual models using ER, UML or ORM could be translated into Description Logics (DLs), a family of logics that have proved to be particularly appropriate for formalizing...

Large regional groundwater modeling - a sensitivity study of some selected conceptual descriptions and simplifications

International Nuclear Information System (INIS)

Ericsson, Lars O.; Holmen, Johan

2010-12-01

The primary aim of this report is: - To present a supplementary, in-depth evaluation of certain conceptual simplifications, descriptions and model uncertainties in conjunction with regional groundwater simulation, which in the first instance refer to model depth, topography, groundwater table level and boundary conditions. Implementation was based on geo-scientifically available data compilations from the Smaaland region but different conceptual assumptions have been analysed

Benchmarking GW against exact diagonalization for semiempirical models

DEFF Research Database (Denmark)

Kaasbjerg, Kristen; Thygesen, Kristian Sommer

2010-01-01

We calculate ground-state total energies and single-particle excitation energies of seven pi-conjugated molecules described with the semiempirical Pariser-Parr-Pople model using self-consistent many-body perturbation theory at the GW level and exact diagonalization. For the total energies GW capt...... (Hubbard models) where correlation effects dominate over screening/relaxation effects. Finally we illustrate the important role of the derivative discontinuity of the true exchange-correlation functional by computing the exact Kohn-Sham levels of benzene....

On the applicability of deformed jellium model to the description of metal clusters

DEFF Research Database (Denmark)

Lyalin, Andrey G.; Matveentsev, Anton; Solov'yov, Ilia

2003-01-01

-density approximation deformed jellium model we have calculated the binding energies per atom, ionization potentials, deformation parameters and the optimized values of the Wigner-Seitz radii for neutral and singly charged sodium clusters with the number of atoms $N0$. These characteristics are compared...... shape deformations in the formation cluster properties and the quite reasonable level of applicability of the deformed jellium model.......This work is devoted to the elucidation the applicability of jellium model to the description of alkali cluster properties on the basis of comparison the jellium model results with those derived from experiment and within ab initio theoretical framework. On the basis of the Hartree-Fock and local...

HIGHWAY, a transportation routing model: program description and revised users' manual

International Nuclear Information System (INIS)

Joy, D.S.; Johnson, P.E.

1983-10-01

A computerized transportation routing model has been developed at the Oak Ridge National Laboratory to be used for predicting likely routes for shipping radioactive materials. The HIGHWAY data base is a computerized road atlas containing descriptions of the entire Interstate System, the federal highway system, and most of the principal state roads. In addition to its prediction of the most likely commercial route, options incorporated in the HIGHWAY model can allow for maximum use of Interstate highways or routes that will bypass urbanized areas containing populations greater than 100,000 persons. The user may also interactively modify the data base to predict routes that bypass any particular state, city, town, or specific highway segment

Charge dynamics of the antiferromagnetically ordered Mott insulator

International Nuclear Information System (INIS)

Han, Xing-Jie; Li, Xin; Chen, Jing; Liao, Hai-Jun; Xiang, Tao; Liu, Yu; Liu, Zhi-Yuan; Xie, Zhi-Yuan; Normand, B

2016-01-01

We introduce a slave-fermion formulation in which to study the charge dynamics of the half-filled Hubbard model on the square lattice. In this description, the charge degrees of freedom are represented by fermionic holons and doublons and the Mott-insulating characteristics of the ground state are the consequence of holon–doublon bound-state formation. The bosonic spin degrees of freedom are described by the antiferromagnetic Heisenberg model, yielding long-ranged (Néel) magnetic order at zero temperature. Within this framework and in the self-consistent Born approximation, we perform systematic calculations of the average double occupancy, the electronic density of states, the spectral function and the optical conductivity. Qualitatively, our method reproduces the lower and upper Hubbard bands, the spectral-weight transfer into a coherent quasiparticle band at their lower edges and the renormalisation of the Mott gap, which is associated with holon–doublon binding, due to the interactions of both quasiparticle species with the magnons. The zeros of the Green function at the chemical potential give the Luttinger volume, the poles of the self-energy reflect the underlying quasiparticle dispersion with a spin-renormalised hopping parameter and the optical gap is directly related to the Mott gap. Quantitatively, the square-lattice Hubbard model is one of the best-characterised problems in correlated condensed matter and many numerical calculations, all with different strengths and weaknesses, exist with which to benchmark our approach. From the semi-quantitative accuracy of our results for all but the weakest interaction strengths, we conclude that a self-consistent treatment of the spin-fluctuation effects on the charge degrees of freedom captures all the essential physics of the antiferromagnetic Mott–Hubbard insulator. We remark in addition that an analytical approximation with these properties serves a vital function in developing a full understanding of

Charge dynamics of the antiferromagnetically ordered Mott insulator

Science.gov (United States)

Han, Xing-Jie; Liu, Yu; Liu, Zhi-Yuan; Li, Xin; Chen, Jing; Liao, Hai-Jun; Xie, Zhi-Yuan; Normand, B.; Xiang, Tao

2016-10-01

We introduce a slave-fermion formulation in which to study the charge dynamics of the half-filled Hubbard model on the square lattice. In this description, the charge degrees of freedom are represented by fermionic holons and doublons and the Mott-insulating characteristics of the ground state are the consequence of holon-doublon bound-state formation. The bosonic spin degrees of freedom are described by the antiferromagnetic Heisenberg model, yielding long-ranged (Néel) magnetic order at zero temperature. Within this framework and in the self-consistent Born approximation, we perform systematic calculations of the average double occupancy, the electronic density of states, the spectral function and the optical conductivity. Qualitatively, our method reproduces the lower and upper Hubbard bands, the spectral-weight transfer into a coherent quasiparticle band at their lower edges and the renormalisation of the Mott gap, which is associated with holon-doublon binding, due to the interactions of both quasiparticle species with the magnons. The zeros of the Green function at the chemical potential give the Luttinger volume, the poles of the self-energy reflect the underlying quasiparticle dispersion with a spin-renormalised hopping parameter and the optical gap is directly related to the Mott gap. Quantitatively, the square-lattice Hubbard model is one of the best-characterised problems in correlated condensed matter and many numerical calculations, all with different strengths and weaknesses, exist with which to benchmark our approach. From the semi-quantitative accuracy of our results for all but the weakest interaction strengths, we conclude that a self-consistent treatment of the spin-fluctuation effects on the charge degrees of freedom captures all the essential physics of the antiferromagnetic Mott-Hubbard insulator. We remark in addition that an analytical approximation with these properties serves a vital function in developing a full understanding of the

Impact of uncertainty description on assimilating hydraulic head in the MIKE SHE distributed hydrological model

DEFF Research Database (Denmark)

Zhang, Donghua; Madsen, Henrik; Ridler, Marc E.

2015-01-01

The ensemble Kalman filter (EnKF) is a popular data assimilation (DA) technique that has been extensively used in environmental sciences for combining complementary information from model predictions and observations. One of the major challenges in EnKF applications is the description of model un...... with respect to performance and sensitivity. Results show that inappropriate definition of model uncertainty can greatly degrade the assimilation performance, and an appropriate combination of different model uncertainty sources is advised....

Pseudo-steady-state non-Gaussian Einstein-Podolsky-Rosen steering of massive particles in pumped and damped Bose-Hubbard dimers

Science.gov (United States)

Olsen, M. K.

2017-02-01

We propose and analyze a pumped and damped Bose-Hubbard dimer as a source of continuous-variable Einstein-Podolsky-Rosen (EPR) steering with non-Gaussian statistics. We use and compare the results of the approximate truncated Wigner and the exact positive-P representation to calculate and compare the predictions for intensities, second-order quantum correlations, and third- and fourth-order cumulants. We find agreement for intensities and the products of inferred quadrature variances, which indicate that states demonstrating the EPR paradox are present. We find clear signals of non-Gaussianity in the quantum states of the modes from both the approximate and exact techniques, with quantitative differences in their predictions. Our proposed experimental configuration is extrapolated from current experimental techniques and adds another apparatus to the current toolbox of quantum atom optics.

Diverging strains near threshold: Breakdown of the elastic description of a charge density wave model

International Nuclear Information System (INIS)

Mungan, M.; Coppersmith, S.; Vinokur, V.M.

1999-01-01

We analyze the strains near threshold in 1-d charge density wave models at zero temperature and strong pinning. We show that in these models local strains diverge near the depinning threshold and characterize the scaling behavior of the phenomenon. This helps quantify when the underlying elastic description breaks down and plastic effects have to be included

On the Helix Propensity in Generalized Born Solvent Descriptions of Modeling the Dark Proteome

Science.gov (United States)

2017-01-10

benchmarks of conformational sampling methods and their all-atom force fields plus solvent descriptions to accurately model structural transitions on a...mol·Å2). The utilities and programming libraries of the Multiscale Modeling Tools for Structural Biology (MMTSB) (Feig et al., 2004) were used to...extensively benchmarked with the CHARMM22 force field, this force field was applied with the CMAP backbone dihedral cross-term extension (Mackerell