Fidelity study of superconductivity in extended Hubbard models
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.
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
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.)
Can disorder act as a chemical pressure? An optical study of the Hubbard model
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.
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
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.)
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
Disordered spinor Bose-Hubbard model
International Nuclear Information System (INIS)
LaPcki, Mateusz; Paganelli, Simone; Ahufinger, Veronica; Sanpera, Anna; Zakrzewski, Jakub
2011-01-01
We study the zero-temperature phase diagram of the disordered spin-1 Bose-Hubbard model in a two-dimensional square lattice. To this aim, we use a mean-field Gutzwiller ansatz and a probabilistic mean-field perturbation theory. The spin interaction induces two different regimes, corresponding to a ferromagnetic and antiferromagnetic order. In the ferromagnetic case, the introduction of disorder reproduces analogous features of the disordered scalar Bose-Hubbard model, consisting in the formation of a Bose glass phase between Mott insulator lobes. In the antiferromagnetic regime, the phase diagram differs more from the scalar case. Disorder in the chemical potential can lead to the disappearance of Mott insulator lobes with an odd-integer filling factor and, for sufficiently strong spin coupling, to Bose glass of singlets between even-filling Mott insulator lobes. Disorder in the spinor coupling parameter results in the appearance of a Bose glass phase only between the n and the n+1 lobes for n odd. Disorder in the scalar Hubbard interaction inhibits Mott insulator regions for occupation larger than a critical value.
Comparative DMFT study of the eg-orbital Hubbard model in thin films
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.
Fidelity study of the superconducting phase diagram in the two-dimensional single-band Hubbard model
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.
Extended Hubbard models for ultracold atoms in optical lattices
Energy Technology Data Exchange (ETDEWEB)
Juergensen, Ole
2015-06-05
In this thesis, the phase diagrams and dynamics of various extended Hubbard models for ultracold atoms in optical lattices are studied. Hubbard models are the primary description for many interacting particles in periodic potentials with the paramount example of the electrons in solids. The very same models describe the behavior of ultracold quantum gases trapped in the periodic potentials generated by interfering beams of laser light. These optical lattices provide an unprecedented access to the fundamentals of the many-particle physics that govern the properties of solid-state materials. They can be used to simulate solid-state systems and validate the approximations and simplifications made in theoretical models. This thesis revisits the numerous approximations underlying the standard Hubbard models with special regard to optical lattice experiments. The incorporation of the interaction between particles on adjacent lattice sites leads to extended Hubbard models. Offsite interactions have a strong influence on the phase boundaries and can give rise to novel correlated quantum phases. The extended models are studied with the numerical methods of exact diagonalization and time evolution, a cluster Gutzwiller approximation, as well as with the strong-coupling expansion approach. In total, this thesis demonstrates the high relevance of beyond-Hubbard processes for ultracold atoms in optical lattices. Extended Hubbard models can be employed to tackle unexplained problems of solid-state physics as well as enter previously inaccessible regimes.
Extended Hubbard models for ultracold atoms in optical lattices
International Nuclear Information System (INIS)
Juergensen, Ole
2015-01-01
In this thesis, the phase diagrams and dynamics of various extended Hubbard models for ultracold atoms in optical lattices are studied. Hubbard models are the primary description for many interacting particles in periodic potentials with the paramount example of the electrons in solids. The very same models describe the behavior of ultracold quantum gases trapped in the periodic potentials generated by interfering beams of laser light. These optical lattices provide an unprecedented access to the fundamentals of the many-particle physics that govern the properties of solid-state materials. They can be used to simulate solid-state systems and validate the approximations and simplifications made in theoretical models. This thesis revisits the numerous approximations underlying the standard Hubbard models with special regard to optical lattice experiments. The incorporation of the interaction between particles on adjacent lattice sites leads to extended Hubbard models. Offsite interactions have a strong influence on the phase boundaries and can give rise to novel correlated quantum phases. The extended models are studied with the numerical methods of exact diagonalization and time evolution, a cluster Gutzwiller approximation, as well as with the strong-coupling expansion approach. In total, this thesis demonstrates the high relevance of beyond-Hubbard processes for ultracold atoms in optical lattices. Extended Hubbard models can be employed to tackle unexplained problems of solid-state physics as well as enter previously inaccessible regimes.
Spin-spin correlations in the tt'-Hubbard model
International Nuclear Information System (INIS)
Husslein, T.; Newns, D.M.; Mattutis, H.G.; Pattnaik, P.C.; Morgenstern, I.; Singer, J.M.; Fettes, W.; Baur, C.
1994-01-01
We present calculations of the tt'-Hubbard model using Quantum Monte Carlo techniques. The parameters are chosen so that the van Hove Singularity in the density of states and the Fermi level coincide. We study the behaviour of the system with increasing Hubbard interaction U. Special emphasis is on the spin-spin correlation (SSC). Unusual behaviour for large U is observed there and in the momentum distribution function (n(q)). (orig.)
Dynamical Vertex Approximation for the Hubbard Model
Toschi, Alessandro
A full understanding of correlated electron systems in the physically relevant situations of three and two dimensions represents a challenge for the contemporary condensed matter theory. However, in the last years considerable progress has been achieved by means of increasingly more powerful quantum many-body algorithms, applied to the basic model for correlated electrons, the Hubbard Hamiltonian. Here, I will review the physics emerging from studies performed with the dynamical vertex approximation, which includes diagrammatic corrections to the local description of the dynamical mean field theory (DMFT). In particular, I will first discuss the phase diagram in three dimensions with a special focus on the commensurate and incommensurate magnetic phases, their (quantum) critical properties, and the impact of fluctuations on electronic lifetimes and spectral functions. In two dimensions, the effects of non-local fluctuations beyond DMFT grow enormously, determining the appearance of a low-temperature insulating behavior for all values of the interaction in the unfrustrated model: Here the prototypical features of the Mott-Hubbard metal-insulator transition, as well as the existence of magnetically ordered phases, are completely overwhelmed by antiferromagnetic fluctuations of exponentially large extension, in accordance with the Mermin-Wagner theorem. Eventually, by a fluctuation diagnostics analysis of cluster DMFT self-energies, the same magnetic fluctuations are identified as responsible for the pseudogap regime in the holed-doped frustrated case, with important implications for the theoretical modeling of the cuprate physics.
Super-Hubbard models and applications
International Nuclear Information System (INIS)
Drummond, James M.; Feverati, Giovanni; Frappat, Luc; Ragoucy, Eric
2007-01-01
We construct XX- and Hubbard-like models based on unitary superalgebras gl(N/M) generalising Shastry's and Maassarani's approach of the algebraic case. We introduce the R-matrix of the gl(N/M) XX model and that of the Hubbard model defined by coupling two independent XX models. In both cases, we show that the R-matrices satisfy the Yang-Baxter equation, we derive the corresponding local Hamiltonian in the transfer matrix formalism and we determine the symmetry of the Hamiltonian. Explicit examples are worked out. In the cases of the gl(1/2) and gl(2/2) Hubbard models, a perturbative calculation at two loops a la Klein and Seitz is performed
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)
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
An introduction to the Hubbard model
International Nuclear Information System (INIS)
Ercolessi, E.; Morandi, G.; Pieri, P.
1997-01-01
In these notes we review some of the basic features of the 2D Hubbard model, thought of as the appropriate model for the description of the Cu - O planes in the cuprate superconductors. We discuss breifly the weak-coupling regime of the model and, in the opposite limit, the mapping of the one band Hubbard model onto an AFM Heisenberg model at half filling and onto the t - J model below half filling. We discuss next Emery's three band model and its mapping onto the so-called ''spin-fermion'' model. Its continuum limit is discussed by making use of an adiabatic followed by a gradient expansion. We review briefly how the model maps onto a nonlinear sigma model and some of the features of the latter. (orig.)
Hubbard physics in the symmetric half-filled periodic anderson-hubbard model
Hagymási, I.; Itai, K.; Sólyom, J.
2013-05-01
Two very different methods — exact diagonalization on finite chains and a variational method — are used to study the possibility of a metal-insulator transition in the symmetric half-filled periodic Anderson-Hubbard model. With this aim we calculate the density of doubly occupied d sites ( gn d ) as a function of various parameters. In the absence of on-site Coulomb interaction ( U f ) between f electrons, the two methods yield similar results. The double occupancy of d levels remains always finite just as in the one-dimensional Hubbard model. Exact diagonalization on finite chains gives the same result for finite U f , while the Gutzwiller method leads to a Brinkman-Rice transition at a critical value ( U {/d c }), which depends on U f and V.
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
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.
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.)
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
Mott transition in the Hubbard model
International Nuclear Information System (INIS)
Shastry, B.S.
1992-01-01
In this article, the author discuss W. Kohn's criterion for a metal insulator transition, within the framework of a one-band Hubbard model. This and related ideas are applied to 1-dimensional Hubbard systems, and some interesting miscellaneous results discussed. The Jordan-Wigner transformation converting the two species of fermions to two species of hardcore bosons is performed in detail, and the extra phases arising from odd-even effects are explicitly derived. Bosons are shown to prefer zero flux (i.e., diamagnetism) and the corresponding happy fluxes: for the fermions identified. A curios result following from the interplay between orbital diamagnetism and spin polarization is highlighted. A spin-statistics like theorem, showing that the anticommutation relations between fermions of opposite spin are crucial to obtain the SU(2) invariance is pointed out
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)
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
Single-particle spectral density of the Hubbard model
Mehlig, B.; Eskes, H.; Hayn, R.; Meinders, M.B.J.
1995-01-01
We calculate the single-particle spectral function for the Hubbard model within the framework of a projection technique equivalent to the two-pole approximation. We show that the two-pole approximation can be well understood as an average characterization of the upper and the lower Hubbard bands,
SINGLE-PARTICLE SPECTRAL DENSITY OF THE HUBBARD-MODEL
MEHLIG, B; ESKES, H; HAYN, R; MEINDERS, MBJ
1995-01-01
We calculate the single-particle spectral function for the Hubbard model within the framework of a projection technique equivalent to the two-pole approximation. We show that the two-pole approximation can be well understood as an average characterization of the upper and the lower Hubbard bands,
Analysis of the dynamical cluster approximation for the Hubbard model
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 ...
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 $T$ ...
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
Quantum Simulation of the Hubbard Model Using Ultra-Cold Atoms
2008-11-01
Hubbard model. The SU(3) Hubbard model has been proposed as a model system for studying different phases of matter expected to occur in quantum...chromodynamics (QCD): the color superconducting phase and the formation of baryons . Our initial investigations have focused on understanding three-body...density quark matter described by quantum chromodynamics . We have been investigating the stability of the 3-state Fermi gas with respect to decay due
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 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)
Thermalization after an interaction quench in the Hubbard model.
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.
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)
Magnetic properties of three-dimensional Hubbard-sigma model
International Nuclear Information System (INIS)
Yamamoto, Hisashi; Ichinose, Ikuo; Tatara, Gen; Matsui, Tetsuo.
1989-11-01
It is broadly viewed that the magnetism may play an important role in the high-T c superconductivity in the lamellar CuO 2 materials. In this paper, based on a Hubbard-inspired CP 1 or S 2 nonlinear σ model, we give a quantitative study of some magnetic properties in and around the Neel ordered state of three-dimensional quantum antiferromagnets such as La 2 CuO 4 with and without small hole doping. Our model is a (3+1) dimensional effective field theory describing the low energy spin dynamics of a three-dimensional Hubbard model with a very weak interlayer coupling. The effect of hole dynamics is taken into account in the leading approximation by substituting the CP 1 coupling with an 'effective' one determined by the concentration and the one-loop correction of hole fermions. A stationary-phase equation for the one-loop effective potential of S 2 model is analyzed numerically. The behavior of Neel temperature, magnetization (long range Neel order), spin correlation length, etc as functions of anisotropic parameter, temperature, hole concentrations, etc are investigated in detail. A phase diagram is also supported by the renormlization group analysis. The results show that our anisotropic field theory model with certain values of parameters could give a reasonably well description of the magnetic properties indicated by some experiments on pure and doped La 2 CuO 4 . (author)
International Nuclear Information System (INIS)
Brehm, Sascha
2009-01-01
Two-particle excitations, such as spin and charge excitations, play a key role in high-T c cuprate superconductors (HTSC). Due to the antiferromagnetism of the parent compound the magnetic excitations are supposed to be directly related to the mechanism of superconductivity. In particular, the so-called resonance mode is a promising candidate for the pairing glue, a bosonic excitation mediating the electronic pairing. In addition, its interactions with itinerant electrons may be responsible for some of the observed properties of HTSC. Hence, getting to the bottom of the resonance mode is crucial for a deeper understanding of the cuprate materials. To analyze the corresponding two-particle correlation functions we develop in the present thesis a new, non-perturbative and parameter-free technique for T=0 which is based on the Variational Cluster Approach (VCA, an embedded cluster method for one-particle Green's functions). Guided by the spirit of the VCA we extract an effective electron-hole vertex from an isolated cluster and use a fully renormalized bubble susceptibility χ 0 including the VCA one-particle propagators. Within our new approach, the magnetic excitations of HTSC are shown to be reproduced for the Hubbard model within the relevant strong-coupling regime. Exceptionally, the famous resonance mode occurring in the underdoped regime within the superconductivity-induced gap of spin-flip electron-hole excitations is obtained. Its intensity and hourglass dispersion are in good overall agreement with experiments. Furthermore, characteristic features such as the position in energy of the resonance mode and the difference of the imaginary part of the susceptibility in the superconducting and the normal states are in accord with Inelastic Neutron Scattering (INS) experiments. For the first time, a strongly-correlated parameter-free calculation revealed these salient magnetic properties supporting the S=1 magnetic exciton scenario for the resonance mode. Besides
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)
Antiferromagnetic order in the Hubbard model on the Penrose lattice
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.
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)
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
Progress towards localization in the attractive Hubbard model
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.
Coulomb matrix elements in multi-orbital Hubbard models.
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.
Interaction effect in the Kondo energy of the periodic Anderson-Hubbard model
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.
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
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.
Stripe order from the perspective of the Hubbard model
Energy Technology Data Exchange (ETDEWEB)
Devereaux, Thomas Peter
2018-03-01
A microscopic understanding of the strongly correlated physics of the cuprates must account for the translational and rotational symmetry breaking that is present across all cuprate families, commonly in the form of stripes. Here we investigate emergence of stripes in the Hubbard model, a minimal model believed to be relevant to the cuprate superconductors, using determinant quantum Monte Carlo (DQMC) simulations at finite temperatures and density matrix renormalization group (DMRG) ground state calculations. By varying temperature, doping, and model parameters, we characterize the extent of stripes throughout the phase diagram of the Hubbard model. Our results show that including the often neglected next-nearest-neighbor hopping leads to the absence of spin incommensurability upon electron-doping and nearly half-filled stripes upon hole-doping. The similarities of these findings to experimental results on both electron and hole-doped cuprate families support a unified description across a large portion of the cuprate phase diagram.
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
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
Exotic superconducting states in the extended attractive Hubbard model.
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.
Magnon edge states in the hardcore- Bose-Hubbard model.
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.
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.)
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.)
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.)
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.
Mott metal-insulator transition in the doped Hubbard-Holstein model
Kurdestany, Jamshid Moradi; Satpathy, S.
2017-08-01
Motivated by the current interest in the understanding of the Mott insulators away from half-filling, observed in many perovskite oxides, we study the Mott metal-insulator transition in the doped Hubbard-Holstein model using the Hartree-Fock mean field theory. The Hubbard-Holstein model is the simplest model containing both the Coulomb and the electron-lattice interactions, which are important ingredients in the physics of the perovskite oxides. In contrast to the half-filled Hubbard model, which always results in a single phase (either metallic or insulating), our results show that away from half-filling, a mixed phase of metallic and insulating regions occurs. As the dopant concentration is increased, the metallic part progressively grows in volume, until it exceeds the percolation threshold, leading to percolative conduction. This happens above a critical dopant concentration δc, which, depending on the strength of the electron-lattice interaction, can be a significant fraction of unity. This means that the material could be insulating even for a substantial amount of doping, in contrast to the expectation that doped holes would destroy the insulating behavior of the half-filled Hubbard model. While effects of fluctuation beyond the mean field remain an open question, our results provide a starting point for the understanding of the density-driven metal-insulator transition observed in many complex oxides.
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.
Enhanced pairing susceptibility in a photodoped two-orbital Hubbard model
Werner, Philipp; Strand, Hugo U. R.; Hoshino, Shintaro; Murakami, Yuta; Eckstein, Martin
2018-04-01
Local spin fluctuations provide the glue for orbital-singlet spin-triplet pairing in the doped Mott insulating regime of multiorbital Hubbard models. At large Hubbard repulsion U , the pairing susceptibility is nevertheless tiny because the pairing interaction cannot overcome the suppression of charge fluctuations. Using nonequilibrium dynamical mean field simulations of the two-orbital Hubbard model, we show that out of equilibrium the pairing susceptibility in this large-U regime can be strongly enhanced by creating a photoinduced population of the relevant charge states. This enhancement is supported by the long lifetime of photodoped charge carriers and a built-in cooling mechanism in multiorbital Hubbard systems.
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
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.
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.
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
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)
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
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.
Single-particle properties of the Hubbard model in a novel three-pole approximation
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.
Phase competition in a one-dimensional three-orbital Hubbard-Holstein model
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.
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.
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
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
Extended Hubbard model for mesoscopic transport in donor arrays in silicon
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.
Periodic Ground State Configurations in a One-Dimensional Hubbard Model of Statistical Mechanics
International Nuclear Information System (INIS)
Kipnis, M. M.
2000-01-01
This paper considers an averaging procedure for the description of a particles arrangement in a Hubbard model with antiferromagnetic interactions. The arrangements are described by the devil's staircase. Completeness of the staircase is proved
Ising tricriticality in the extended Hubbard model with bond dimerization
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).
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.
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)
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).
Filling-driven Mott transition in SU(N ) Hubbard models
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.
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.
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)
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.
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
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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
Low-lying Photoexcited States of a One-Dimensional Ionic Extended Hubbard Model
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.
Emergent Chiral Spin State in the Mott Phase of a Bosonic Kane-Mele-Hubbard Model
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).
Spectral properties near the Mott transition in the two-dimensional Hubbard model
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.
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.
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
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.
International Nuclear Information System (INIS)
Plakida, N. M.; Anton, L.; Adam, S. . Department of Theoretical Physics, Horia Hulubei National Institute for Physics and Nuclear Engineering, PO Box MG-6, RO-76900 Bucharest - Magurele; RO); Adam, Gh. . Department of Theoretical Physics, Horia Hulubei National Institute for Physics and Nuclear Engineering, PO Box MG-6, RO-76900 Bucharest - Magurele; RO)
2001-01-01
A microscopical theory of superconductivity in the two-band singlet-hole Hubbard model, in the strong coupling limit in a paramagnetic state, is developed. The model Hamiltonian is obtained by projecting the p-d model to an asymmetric Hubbard model with the lower Hubbard subband occupied by one-hole Cu d-like states and the upper Hubbard subband occupied by two-hole p-d singlet states. The model requires two microscopical parameters only, the p-d hybridization parameter t and the charge-transfer gap Δ. It was previously shown to secure an appropriate description of the normal state properties of the high -T c cuprates. To treat rigorously the strong correlations, the Hubbard operator technique within the projection method for the Green function is used. The Dyson equation is derived. In the molecular field approximation, d-wave superconducting pairing of conventional hole (electron) pairs in one Hubbard subband is found, which is mediated by the exchange interaction given by the interband hopping, J ij = 4 (t ij ) 2 / Δ. The normal and anomalous components of the self-energy matrix are calculated in the self-consistent Born approximation for the electron-spin-fluctuation scattering mediated by kinematic interaction of the second order of the intraband hopping. The derived numerical and analytical solutions predict the occurrence of singlet d x 2 -y 2 -wave pairing both in the d-hole and singlet Hubbard subbands. The gap functions and T c are calculated for different hole concentrations. The exchange interaction is shown to be the most important pairing interaction in the Hubbard model in the strong correlation limit, while the spin-fluctuation coupling results only in a moderate enhancement of T c . The smaller weight of the latter comes from two specific features: its vanishing inside the Brillouin zone (BZ) along the lines, |k x | + |k y |=π pointing towards the hot spots and the existence of a small energy shell within which the pairing is effective. By
High-accuracy energy formulas for the attractive two-site Bose-Hubbard model
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.
Excitonic Order and Superconductivity in the Two-Orbital Hubbard Model: Variational Cluster Approach
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.
Magnetic properties of Hubbard-sigma model with three-dimensionality
International Nuclear Information System (INIS)
Yamamoto, Hisashi; Tatara, Gen; Ichinose, Ikuo; Matsui, Tetsuo.
1990-05-01
It has been broadly accepted that the magnetism may play an important role in the high-T c superconductivity in the lamellar CuO 2 materials. In this paper, based on a Hubbard-inspired CP 1 or S 2 nonlinear σ model, we give a quantitative study of some magnetic properties in and around the Neel ordered state of three-dimensional quantum antiferromagnets such as La 2 CuO 4 with and without small hole doping. Our model is a (3+1) dimensional effective field theory describing the low energy spin dynamics of a three-dimensional Hubbard model with a very weak interlayer coupling. The effect of hole dynamics is taken into account in the leading approximation by substituting the CP 1 coupling and the spin-wave velocity with 'effective' ones determined by the concentration and the one-loop correction of hole fermions. Stationary-phase equations for the one-loop effective potential of S 2 model are analyzed. Based on them, various magnetic properties of the system, such as the behavior of Neel temperature, spin correlation length, staggered magnetization, specific heat and susceptibility as functions of anisotropic parameter, temperature, etc. are investigated in detail. The results show that our anisotropic field theory model with certain values of parameters gives a good description of the magnetic properties in both the ordered and the disordered phases indicated by experiments on La 2 CuO 4 . The part of the above results is supported by the renormalization-group analysis. In the doped case it is observed that the existence of holes destroys the long-range order and their hopping effect is large. (author)
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)
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
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...
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
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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
Phase diagram and topological phases in the triangular lattice Kitaev-Hubbard model
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.
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
Emergent low-energy bound states in the two-orbital Hubbard model
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.
Hierarchical relaxation dynamics in a tilted two-band Bose-Hubbard model
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.
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
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
The role of local repulsion in superconductivity in the Hubbard-Holstein model
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.
Quantum simulation of a Fermi-Hubbard model using a semiconductor quantum dot array.
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.
Quantum simulation of a Fermi-Hubbard model using a semiconductor quantum dot array
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.
Absence of ballistic charge transport in the half-filled 1D Hubbard model
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.
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 ...
Methodes d'amas quantiques a temperature finie appliquees au modele de Hubbard
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
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.
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.
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.)
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.
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
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
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)
On the SU(2)× SU(2) symmetry in the Hubbard model
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.
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)
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)
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.
TRILEX and G W +EDMFT approach to d -wave superconductivity in the Hubbard model
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.
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
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
Superfluid drag in the two-component Bose-Hubbard model
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.
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
freedom of the Gutzwiller correlator. Furthermore, we discussed the implications of this parameter gauge for a more general setup. The big advantage of our diagrammatic approach lies in the fact that it simplifies decisively in the limit of infinite spatial dimensions. We obtain the exact result for Gutzwiller expectation values of single-site and two-site operators without calculating a single, non-trivial diagram. Of course, the diagrams with internal vertices contribute in finite dimensions, and their importance for phase transitions and the Fermi surface has to be studied. In the chapter 3, we therefore investigated a two-band Hubbard model on a square lattice. We introduced the Hamiltonian for two degenerate p{sub x}-p{sub y} (or d{sub xy}-d{sub yz}) orbitals where we considered electron transfers between nearest neighbors and next-nearest neighbors. The orbital degeneracy reduces the number of different hopping parameters but transitions between the two orbitals are still permitted, i.e., the local orbital quantum number is not conserved in the lattice. For two degenerate orbitals, all local Coulomb interactions can be expressed in terms of the Hubbard interaction U and the Hund's-rule coupling J. The Hubbard interaction suppresses charge fluctuations in the lattice, and the Hund's rule coupling tends to maximize the local spin. We incorporated the symmetry constraints in the Gutzwiller variational states. As our first application, we studied the ferromagnetic phase transition as a function of the model parameters for various band fillings. In general, a large density of states and a strong Hund's-rule exchange favor ferromagnetism. In the Gutzwiller wave function, the ferromagnetic order is strongly suppressed so that much larger interaction strength are needed than predicted by the Hartree-Fock solution. Moreover, the regions in parameter space where non-saturated ferromagnetism occurs are much broader in Gutzwiller theory. As shown in earlier
Interaction quantum quenches in the one-dimensional Fermi-Hubbard model
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.
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.
An exact solution to the extended Hubbard model in 2D for finite size system
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.
Pseudogap and Fermi-Surface Topology in the Two-Dimensional Hubbard Model
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.
Stability of superfluid phases in the 2D spin-polarized attractive Hubbard model
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.
Dynamics of a quantum phase transition in the Bose-Hubbard model: Kibble-Zurek mechanism and beyond
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.
Bipolarons in one-dimensional extended Peierls-Hubbard models
Sous, John; Chakraborty, Monodeep; Krems, Roman; Berciu, Mona
2017-04-01
We study two particles in an infinite chain and coupled to phonons by interactions that modulate their hopping as described by the Peierls/Su-Schrieffer-Heeger (SSH) model. In the case of hard-core bare particles, we show that exchange of phonons generates effective nearest-neighbor repulsion between particles and also gives rise to interactions that move the pair as a whole. The two-polaron phase diagram exhibits two sharp transitions, leading to light dimers at strong coupling and the flattening of the dimer dispersion at some critical values of the parameters. This dimer (quasi)self-trapping occurs at coupling strengths where single polarons are mobile. On the other hand, in the case of soft-core particles/ spinfull fermions, we show that phonon-mediated interactions are attractive and result in strongly bound and mobile bipolarons in a wide region of parameter space. This illustrates that, depending on the strength of the phonon-mediated interactions and statistics of bare particles, the coupling to phonons may completely suppress or strongly enhance quantum transport of correlated particles. This work was supported by NSERC of Canada and the Stewart Blusson Quantum Matter Institute.
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
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.).
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
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
Unsupervised machine learning account of magnetic transitions in the Hubbard model
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.
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)
The MFA ground states for the extended Bose-Hubbard model with a three-body constraint
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.
Influence of spin and charge fluctuations on spectra of the two-dimensional Hubbard model
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.
Hole-hole correlations in the U=∞ limit of the Hubbard model and the stability of the Nagaoka state
International Nuclear Information System (INIS)
Long, M.W.; Zotos, X.
1993-01-01
We use exact diagonalization in order to study the infinite-U limit of the two-dimensional Hubbard model. As well as looking at single-particle correlations, such as n kσ =left-angle c kσ † c kσ right-angle, we also study N-particle correlation functions, which compare the relative positions of all the particles in different models. In particular we study 16- and 18-site clusters and compare the charge correlations in the Hubbard model with those of spinless fermions and hard-core bosons. We find that although low densities of holes favor a ''locally ferromagnetic'' fermionic description, the correlations at larger densities resemble those of pure hard-core bosons surprisingly well
Coherent manipulation of spin correlations in the Hubbard model
Wurz, N.; Chan, C. F.; Gall, M.; Drewes, J. H.; Cocchi, E.; Miller, L. A.; Pertot, D.; Brennecke, F.; Köhl, M.
2018-05-01
We coherently manipulate spin correlations in a two-component atomic Fermi gas loaded into an optical lattice using spatially and time-resolved Ramsey spectroscopy combined with high-resolution in situ imaging. This technique allows us not only to imprint spin patterns but also to probe the static magnetic structure factor at an arbitrary wave vector, in particular, the staggered structure factor. From a measurement along the diagonal of the first Brillouin zone of the optical lattice, we determine the magnetic correlation length and the individual spatial spin correlators. At half filling, the staggered magnetic structure factor serves as a sensitive thermometer, which we employ to study the equilibration in the spin and density sector during a slow quench of the lattice depth.
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
Madelung and Hubbard interactions in polaron band model of doped organic semiconductors
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
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.
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
Conductivite dans le modele de Hubbard bi-dimensionnel a faible couplage
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
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
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
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)
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)
Rényi Entropies from Random Quenches in Atomic Hubbard and Spin Models
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.
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.
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.)
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.
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
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.
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
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.
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.
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
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
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.
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.
On the particle-hole symmetry of the fermionic spinless Hubbard model in D=1
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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.
Des proprietes de l'etat normal du modele de Hubbard bidimensionnel
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.
Valence-bond theory of linear Hubbard and Pariser-Parr-Pople models
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.
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.
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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
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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
Fermionic Hubbard model with Rashba or Dresselhaus spin-orbit coupling
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.
Long-wavelength spin-effective actions for the infinite U Hubbard model
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.
Hubbard pair cluster in the external fields. Studies of the magnetic properties
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.
Realization of a scenario with two relaxation rates in the Hubbard Falicov-Kimball model
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.
Damping at positive frequencies in the limit J⊥-->0 in the strongly correlated Hubbard model
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.
A pure Hubbard model with demonstrable pairing adjacent to the Mott-insulating phase
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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
Hole motion in the t-J and Hubbard models: Effect of a next-nearest-neighbor hopping
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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
Quantum phase transitions of light in a dissipative Dicke-Bose-Hubbard model
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.
Entanglement of Exact Excited Eigenstates of the Hubbard Model in Arbitrary Dimension
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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.
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.
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.
Unconventional and intertwined orders of the low-dimensional Hubbard model
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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
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.
Investigation of a four-body coupling in the one-dimensional extended Penson-Kolb-Hubbard model
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.
Le modele de Hubbard bidimensionnel a faible couplage: Thermodynamique et phenomenes critiques
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
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....
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.
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
Spiral magnetism in the single-band Hubbard model: the Hartree-Fock and slave-boson approaches.
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.
Mass-imbalanced ionic Hubbard chain
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.
A Quantum Mermin-Wagner Theorem for a Generalized Hubbard Model
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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
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.)
Collective Kondo effect in the Anderson-Hubbard lattice
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.
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.
Floquet Engineering of Correlated Tunneling in the Bose-Hubbard Model with Ultracold Atoms.
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.
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.
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
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
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
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.
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
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.
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.
Superconducting correlations in the one- and two-band Hubbard models
International Nuclear Information System (INIS)
Jain, K.P.; Ramakumar, R.; Chancey, C.C.
1989-01-01
An approximate expression is derived for the generalized energy gap function Δ kμ for a system of interacting electrons in a narrow s-band. This function has the virtue that it interpolates between the weak interaction limit (BCS) and the intermediate coupling regime. Starting from the Cooper pairing state, the authors investigate the build-up of pairing correlations and study the properties of the generalized gap in these two regimes as a function of the band filling. The coupled equations for the gap and the band filling define the self-consistency conditions. A recent extension of this analysis to the two-band model is also discussed
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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.
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
SINGLE-BAND, TRIPLE-BAND, OR MULTIPLE-BAND HUBBARD MODELS
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
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.
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.
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
Sea-Boson Analysis of the Infinite-U Hubbard Model
Setlur, Girish S.
2004-01-01
By expanding the projection operator in powers of the density fluctuations, we conjecture a hamiltonian purely quadratic in the sea-bosons that reproduces the right spin and charge velocities and exponent for the $ U = \\infty $ case in one dimension known from the work of Schulz. Then we argue that by simply promoting wavenumbers to wave vectors we are able to study the two dimensional case. We find that the quasiparticle residue takes a value $ Z_{F} = 0.79 $ close to half-filling where it i...
Two-particle correlations in the one-dimensional Hubbard model: a ground-state analytical solution
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)
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)
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
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)
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.
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
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.
Spectral properties of an extended Hubbard ladder with long range anti-ferromagnetic order
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.
Finite-temperature dynamics of the Mott insulating Hubbard chain
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.
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
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.
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.
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
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.
Orthorhombic fulleride (CH3NH2)K3C60 close to Mott-Hubbard instability: Ab initio study
Potočnik, Anton; Manini, Nicola; Komelj, Matej; Tosatti, Erio; Arčon, Denis
2012-08-01
We study the electronic structure and magnetic interactions in methylamine-intercalated orthorhombic alkali-doped fullerene (CH3NH2)K3C60 within the density functional theory. As in the simpler ammonia intercalated compound (NH3)K3C60, the orthorhombic crystal-field anisotropy Δ lifts the t1u triple degeneracy at the Γ point and drives the system deep into the Mott-insulating phase. However, the computed Δ and conduction electron bandwidth W cannot alone account for the abnormally low experimental Néel temperature, TN=11 K, of the methylamine compound, compared to the much higher value TN=40 K of the ammonia one. Significant interactions between CH3NH2 and C603- are responsible for the stabilization of particular fullerene-cage distortions and the ensuing low-spin S=1/2 state. These interactions also seem to affect the magnetic properties, as interfullerene exchange interactions depend on the relative orientation of deformations of neighboring C603- molecules. For the ferro-orientational order of CH3NH2-K+ groups we find an apparent reduced dimensionality in magnetic exchange interactions, which may explain the suppressed Néel temperature. The disorder in exchange interactions caused by orientational disorder of CH3NH2-K+ groups could further contribute to this suppression.
International Nuclear Information System (INIS)
Kim, J.; Shvydko, Y.
2011-01-01
Momentum-resolved resonant inelastic x-ray scattering (RIXS) spectroscopy has been carried out successfully at the Fe K-edge for the first time. The RIXS spectra of a FeBO 3 single crystal reveal a wealth of information on ∼ 1-10 eV electronic excitations. The IXS signal resonates when the incident photon energy approaches the pre-edge (1s - -3d) and the main-edge (1s - -4p) of the Fe K-edge absorption spectrum. The RIXS spectra measured at the pre-edge and the main-edge show quantitatively different dependences on the incident photon energy, momentum transfer, photon polarization, and temperature. We present a multielectron analysis of the Mott-Hubbard (MH) and charge transfer (CT) excitations, and calculate their energies. Electronic excitations observed in the pre-edge and main-edge RIXS spectra are interpreted as MH and CT excitations, respectively. We propose the electronic structure around the chemical potential in FeBO 3 based on the experimental data.
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
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.)
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.
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
Chemical and morphological distinctions between vertical and lateral podzolization at Hubbard Brook
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...
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.)
Zaffran, Jeremie; Caspary Toroker, Maytal
2016-08-09
NiOOH has recently been used to catalyze water oxidation by way of electrochemical water splitting. Few experimental data are available to rationalize the successful catalytic capability of NiOOH. Thus, theory has a distinctive role for studying its properties. However, the unique layered structure of NiOOH is associated with the presence of essential dispersion forces within the lattice. Hence, the choice of an appropriate exchange-correlation functional within Density Functional Theory (DFT) is not straightforward. In this work, we will show that standard DFT is sufficient to evaluate the geometry, but DFT+U and hybrid functionals are required to calculate the oxidation states. Notably, the benefit of DFT with van der Waals correction is marginal. Furthermore, only hybrid functionals succeed in opening a bandgap, and such methods are necessary to study NiOOH electronic structure. In this work, we expect to give guidelines to theoreticians dealing with this material and to present a rational approach in the choice of the DFT method of calculation.
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.
Two-site Hubbard molecule with a spinless electron-positron pair
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
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.
L Ron Hubbard's science fiction quest against psychiatry.
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/.
Zhou, Guoli; Li, Pan; Ma, Qingmin; Tian, Zhixue; Liu, Ying
2018-03-14
Grain boundaries (GBs) can be used as traps for solute atoms and defects, and the interaction between segregants and GBs is crucial for understanding the properties of nanocrystalline materials. In this study, we have systematically investigated the Pt segregation and Pt-oxygen vacancies interaction at the ∑3 (111) GB in ceria (CeO 2 ). The Pt atom has a stronger tendency to segregate to the ∑3 (111) GB than to the (111) and (110) free surfaces, but the tendency is weaker than to (112) and (100). Lattice distortion plays a dominant role in Pt segregation. At the Pt-segregated-GB (Pt@GB), oxygen vacancies prefer to form spontaneously near Pt in the GB region. However, at the pristine GB, oxygen vacancies can only form under O-poor conditions. Thus, Pt segregation to the GB promotes the formation of oxygen vacancies, and their strong interactions enhance the interfacial cohesion. We propose that GBs fabricated close to the surfaces of nanocrystalline ceria can trap Pt from inside the grains or other types of surface, resulting in the suppression of the accumulation of Pt on the surface under redox reactions, especially under O-poor conditions.
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)
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.
Ground-state and spectral properties of an asymmetric Hubbard ladder
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.
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...
Fractional statistics and quantum scaling properties of the integrable Penson-Kolb-Hubbard chain
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
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
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 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.
Hubbard U calculations for gap states in dilute magnetic semiconductors.
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.
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
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
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.
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...
Quantum behaviour of open pumped and damped Bose-Hubbard trimers
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.
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.
Stable-unstable transition for a Bose-Hubbard chain coupled to an environment
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.
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
Matrix-valued Boltzmann equation for the nonintegrable Hubbard chain.
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.
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.)
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.
The one-dimensional extended Bose–Hubbard model
Indian Academy of Sciences (India)
Unknown
method to obtain the zero-temperature phase diagram of the one-dimensional, extended ... Progress in this field has been driven by an interplay between ... superconductor-insulator transition in thin films of superconducting materials like bis-.
Pairing from strong repulsion in triangular lattice Hubbard model
Zhang, Shang-Shun; Zhu, Wei; Batista, Cristian D.
2018-04-01
We propose a pairing mechanism between holes in the dilute limit of doped frustrated Mott insulators. Hole pairing arises from a hole-hole-magnon three-body bound state. This pairing mechanism has its roots on single-hole kinetic energy frustration, which favors antiferromagnetic (AFM) correlations around the hole. We demonstrate that the AFM polaron (hole-magnon bound state) produced by a single hole propagating on a field-induced polarized background is strong enough to bind a second hole. The effective interaction between these three-body bound states is repulsive, implying that this pairing mechanism is relevant for superconductivity.
Adequacy of Si:P chains as Fermi-Hubbard simulators
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.
Current reversals and metastable states in the infinite Bose-Hubbard chain with local particle loss
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.
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)
Phase diagram and re-entrant fermionic entanglement in a hybrid Ising-Hubbard ladder
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.
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
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...
Catapodium marinum (L.) Hubbard, Scirpus planifolius Grimm en Trifolium micranthum Viv. op Goeree
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,
Hydrogen ion input to the Hubbard Brook Experimental Forest, New Hampshire, during the last decade
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...
Long-term trends from ecosystem research at the Hubbard Brook Experimental Forest
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.
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.)
International Nuclear Information System (INIS)
Anon.
1982-01-01
Testing the applicability of mathematical models with carefully designed experiments is a powerful tool in the investigations of the effects of ionizing radiation on cells. The modeling and cellular studies complement each other, for modeling provides guidance for designing critical experiments which must provide definitive results, while the experiments themselves provide new input to the model. Based on previous experimental results the model for the accumulation of damage in Chlamydomonas reinhardi has been extended to include various multiple two-event combinations. Split dose survival experiments have shown that models tested to date predict most but not all the observed behavior. Stationary-phase mammalian cells, required for tests of other aspects of the model, have been shown to be at different points in the cell cycle depending on how they were forced to stop proliferating. These cultures also demonstrate different capacities for repair of sublethal radiation damage
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
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.
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.
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
Critical slowing down in driven-dissipative Bose-Hubbard lattices
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.
Band gap depiction of quaternary FeMnTiAl alloy using Hubbard (U) potential
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.
Comparative study of growth and linear body measurements in Anak ...
African Journals Online (AJOL)
The study was designed to compare the performance of two different breeds of broilers (Anak and Hubbard) using body weight and body linear measurements. Data on a total of 200 (100 each) Anak and Hubbard broiler breeds were collected weekly and the experiment lasted for 8 weeks. The parameters investigated ...
Climatic data for Williams Lake, Hubbard County, Minnesota, 1982
Rosenberry, D.O.; Sturrock, A.M.; Scarborough, J.L.; Winter, T.C.
1988-01-01
Research on the hydrology of Williams Lake, north-central Minnesota includes study of evaporation. Those climatic data needed for energy budget and mass transfer studies are presented , including: water surface temperature, dry-bulb and wet-bulb air temperatures, wind speed, precipitation, and solar and atmospheric radiation. Some calculated values necessary for these studies are also presented, such as vapor pressure and Bowen-ratio values. Data are collected at raft and land stations.
Climatic data for Williams Lake, Hubbard County, Minnesota, 1986
Rosenberry, D.O.; Sturrock, A.M.; Winter, T.C.
1988-01-01
Research on the hydrology of Williams Lake, north-central Minnesota includes study of evaporation. Presented here are those climatic data needed for energy-budget and mass-transfer studies, including: water-surface temperature, dry-bulb and wet-bulb air temperatures, wind speed, precipitation, and solar and atmospheric radiation. Some calculated values necessary for these studies, such as vapor pressure and Bowen ratio numbers, also are presented. Data are collected at raft and land stations.
Climatic data for Williams Lake, Hubbard County, Minnesota, 1985
Sturrock, A.M.; Rosenberry, D.O.; Winter, T.C.
1987-01-01
Research on the hydrology of Williams Lake, north-central Minnesota includes study of evaporation. Presented here are those climatic data needed for energy-budget and mass-transfer studies, including: water-surface temperature, dry-bulb and wet-bulb air temperatures, wind speed, precipitation, and solar and atmospheric radiation. Data are collected at raft and land stations.
Climatic data for Williams Lake, Hubbard County, Minnesota, 1984
Sturrock, A.M.; Rosenberry, D.O.; Scarborough, J.L.; Winter, T.C.
1986-01-01
Research on the hydrology of Williams Lake, north-central Minnesota includes study of evaporation. Presented here are those climatic data needed for energy-budget and mass-transfer studies, including: water-surface temperature, dry-bulb and wet-bulb air temperatures, wind speed, precipitation, and solar and atmospheric radiation. Data are collected at raft and land stations.
Climatic data for Williams Lake, Hubbard County, Minnesota, 1983
Sturrock, A.M.; Rosenberry, D.O.; Engelbrecht, L.G.; Gothard, W.A.; Winter, T.C.
1984-01-01
Research on the hydrology of Williams Lake, north-central Minnesota includes study of evaporation. Presented here are those climatic data needed for energy-budget and mass-transfer studies,including: water-surface temperature, dry-bulb and wet-bulb air temperatures, wind speed, precipitation, and solar radiation. Data are collected at raft and land stations.
Spatial noise correlations of a chain of ultracold fermions: A numerical study
International Nuclear Information System (INIS)
Luescher, Andreas; Laeuchli, Andreas M.; Noack, Reinhard M.
2007-01-01
We present a numerical study of noise correlations, i.e., density-density correlations in momentum space, in the extended fermionic Hubbard model in one dimension. In experiments with ultracold atoms, these noise correlations can be extracted from time-of-flight images of the expanding cloud. Using the density-matrix renormalization group method to investigate the Hubbard model at various fillings and interactions, we confirm that the noise correlations contain full information on the most important fluctuations present in the system. We point out the importance of the sum rules fulfilled by the noise correlations and show that they yield nonsingular structures beyond the predictions of bosonization approaches. Noise correlations can thus serve as a universal probe of order and can be used to characterize the many-body states of cold atoms in optical lattices
Superconductivity, Mott-Hubbard states, and molecular orbital order in intercalated fullerides
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...
Energy Technology Data Exchange (ETDEWEB)
Okumura, M; Onishi, H; Yamada, S; Machida, M, E-mail: okumura@riken.j
2010-11-01
We study non-equilibrium properties of one-dimensional Hubbard model by the density-matrix renormalization-group method. First, we demonstrate stability of 'doublon', which characterized by double occupation on a site due to the integrability of the model. Next, we present a kind of anomalous transport caused by the doublons created under strong non-equilibrium conditions in an optical lattice system regarded as an ideal testbed to investigate fundamental properties of the Hubbard model. Finally, we give a result on development of the pair correlation function in a strong non-equilibrium condition. This can be understood as a development of coherence among many excited doublons.
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.
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...
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
Energy Technology Data Exchange (ETDEWEB)
Lehrman, I.S. (Grumman Corp. Research Center, Princeton, NJ (USA)); Colestock, P.L. (Princeton Univ., NJ (USA). Plasma Physics Lab.)
1990-04-01
Theoretical models have been developed, and are currently being refined, to explain the edge plasma-antenna interaction that occurs during ICRF heating. The periodic structure of a Faraday shielded antenna is found to result in strong ponderomotive force in the vicinity of the antenna. A fluid model, which incorporates the ponderomotive force, shows an increase in transport to the Faraday shield. A kinetic model shows that the strong antenna near fields act to increase the energy of deuterons which strike the shield, thereby increasing the sputtering of shield material. Estimates of edge impurity harmonic heating show no significant heating for either in or out-of-phase antenna operation. Additionally, a particle model for electrons near the shield shows that heating results from the parallel electric field associated with the fast wave. A quasilinear model for edge electron heating is presented and compared to the particle calculations. The models' predictions are shown to be consistent with measurements of enhanced transport. (orig.).
Studies on DANESS Code Modeling
International Nuclear Information System (INIS)
Jeong, Chang Joon
2009-09-01
The DANESS code modeling study has been performed. DANESS code is widely used in a dynamic fuel cycle analysis. Korea Atomic Energy Research Institute (KAERI) has used the DANESS code for the Korean national nuclear fuel cycle scenario analysis. In this report, the important models such as Energy-demand scenario model, New Reactor Capacity Decision Model, Reactor and Fuel Cycle Facility History Model, and Fuel Cycle Model are investigated. And, some models in the interface module are refined and inserted for Korean nuclear fuel cycle model. Some application studies have also been performed for GNEP cases and for US fast reactor scenarios with various conversion ratios
Directory of Open Access Journals (Sweden)
A. A. Gangat
2013-08-01
Full Text Available Multipartite entanglement of large numbers of physically distinct linear resonators is of both fundamental and applied interest, but there have been no feasible proposals to date for achieving it. At the same time, the Bose-Hubbard model with attractive interactions (ABH is theoretically known to have a phase transition from the superfluid phase to a highly entangled nonlocal superposition, but observation of this phase transition has remained out of experimental reach. In this theoretical work, we jointly address these two problems by (1 proposing an experimentally accessible quantum simulation of the ABH phase transition in an array of tunably coupled superconducting circuit microwave resonators and (2 incorporating the simulation into a highly scalable protocol that takes as input any microwave-resonator state with negligible occupation of number states |0⟩ and |1⟩ and nonlocally superposes it across the whole array of resonators. The large-scale multipartite entanglement produced by the protocol is of the W type, which is well known for its robustness. The protocol utilizes the ABH phase transition to generate the multipartite entanglement of all of the resonators in parallel, and is therefore deterministic and permits an increase in resonator number without any increase in protocol complexity; the number of resonators is limited instead by system characteristics such as resonator-frequency disorder and inter-resonator coupling strength. Only one local and two global controls are required for the protocol. We numerically demonstrate the protocol with realistic system parameters and estimate that current experimental capabilities can realize the protocol with high fidelity for greater than 40 resonators. Because superconducting-circuit microwave resonators are capable of interfacing with other devices and platforms such as mechanical resonators and (potentially optical fields, this proposal provides a route toward large-scale W
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.
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)
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)
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
THE EFFECT OF TWO - ELEMNETED PROBIOTIC PREPARATE ON BASIC FATTENING PARAMETERS OF HYBRID HUBBARD JV
Directory of Open Access Journals (Sweden)
J. WEIS
2007-05-01
Full Text Available Growth stimulators on basic of probiotics are preparations biological character with correctly defined strains live micro organisms. Most important signification their used consisted in positive stimulation natural micro flora of digestive tract therefore fortified mechanisms of autoimmunity system of organism, what very narrowly relate with achieved utility animal parameters. Healthy and vital individuals marking better nutrient utilisation, equally growth intensity consistent higher slaughter yield. Propoul is two - elemental probiotic preparate designated for poultry, which include special selected strain of genus Lactobacillus. Results their affect is improve of immunity, metabolism and also favourable effect on utility.In 42- days experiment we tested effect of probiotic preparate Propoul on basic fattening parameters of hybrid Hubbard JV. We divided broiler chickens into three groups - control (C without probiotic, experimental 1(E1 with decreased probiotic amount during fattening period and experimental 2 (E2 with constant concentration of testing preparate. Propoul in fluid form we was applicating in drinking water. Effect of probiotic positive manifested in all observed parameters. With exception organic growth and growth index, where we founded favourable effect his application especially in first two weeks in all other both experimentals by expressive rate dominated in achieved values in compared with control. Mostly, from aspect average live weight, where we recorded from 2. week to end of fattening period statistically high significant (P<0.01 and statistically very high significant difference (P<0.001 in benefit of E1 and E2 groups.
Competing phases in a model of Pr-based cobaltites
Sotnikov, A.; Kuneš, J.
2017-12-01
Motivated by the physics of Pr-based cobaltites, we study the effect of the external magnetic field in the hole-doped two-band Hubbard model close to instabilities toward the excitonic condensation and ferromagnetic ordering. Using the dynamical mean-field theory we observe a field-driven suppression of the excitonic condensate. The onset of a magnetically ordered phase at the fixed chemical potential is accompanied by a sizable change of the electron density. This leads us to predict that Pr3 + abundance increases on the high-field side of the transition.
Model quality and safety studies
DEFF Research Database (Denmark)
Petersen, K.E.
1997-01-01
The paper describes the EC initiative on model quality assessment and emphasizes some of the problems encountered in the selection of data from field tests used in the evaluation process. Further, it discusses the impact of model uncertainties in safety studies of industrial plants. The model...... that most of these have never been through a procedure of evaluation, but nonetheless are used to assist in making decisions that may directly affect the safety of the public and the environment. As a major funder of European research on major industrial hazards, DGXII is conscious of the importance......-tain model is appropriate for use in solving a given problem. Further, the findings from the REDIPHEM project related to dense gas dispersion will be highlighted. Finally, the paper will discuss the need for model quality assessment in safety studies....
Slave-particle quantization and sum rules in the t-J model
International Nuclear Information System (INIS)
Le Guillou, J.C.; Ragoucy, E.
1994-12-01
In the framework of constrained systems, the classical Hamiltonian formulation of slave-particle models and their correct quantization are given. The electron-momentum distribution function in the t-J and Hubbard models is then studied in the framework of slave-particle approaches and within the decoupling scheme. It is shown that criticisms which have been addressed in this context coming from a violation of the sum rule for the physical electron are not valid. Due to the correct quantization rules for the slave-particles, the sum rule for the physical electron is indeed obeyed, both exactly and within the decoupling scheme. (author). 15 refs
Mathematical study of mixing models
International Nuclear Information System (INIS)
Lagoutiere, F.; Despres, B.
1999-01-01
This report presents the construction and the study of a class of models that describe the behavior of compressible and non-reactive Eulerian fluid mixtures. Mixture models can have two different applications. Either they are used to describe physical mixtures, in the case of a true zone of extensive mixing (but then this modelization is incomplete and must be considered only as a point of departure for the elaboration of models of mixtures actually relevant). Either they are used to solve the problem of the numerical mixture. This problem appears during the discretization of an interface which separates fluids having laws of different state: the zone of numerical mixing is the set of meshes which cover the interface. The attention is focused on numerical mixtures, for which the hypothesis of non-miscibility (physics) will bring two equations (the sixth and the eighth of the system). It is important to emphasize that even in the case of the only numerical mixture, the presence in one and same place (same mesh) of several fluids have to be taken into account. This will be formalized by the possibility for mass fractions to take all values between 0 and 1. This is not at odds with the equations that derive from the hypothesis of non-miscibility. One way of looking at things is to consider that there are two scales of observation: the physical scale at which one observes the separation of fluids, and the numerical scale, given by the fineness of the mesh, to which a mixture appears. In this work, mixtures are considered from the mathematical angle (both in the elaboration phase and during their study). In particular, Chapter 5 shows a result of model degeneration for a non-extended mixing zone (case of an interface): this justifies the use of models in the case of numerical mixing. All these models are based on the classical model of non-viscous compressible fluids recalled in Chapter 2. In Chapter 3, the central point of the elaboration of the class of models is
Localization of electrons by electron-electron interaction in an Anderson model
International Nuclear Information System (INIS)
Ritala, R.K.; Kurkijaervi, J.
1981-01-01
We study the effect of attractive Hubbard interaction on disordered electron system. We map the interacting system back to noninteracting one and determine self-consistently the disorder change due to interaction in the system. (author)
Urban Studies: A Learning Model.
Cooper, Terry L.; Sundeen, Richard
1979-01-01
The urban studies learning model described in this article was found to increase students' self-esteem, imbue a more flexible and open perspective, contribute to the capacity for self-direction, produce increases on the feeling reactivity, spontaneity, and acceptance of aggression scales, and expand interpersonal competence. (Author/WI)
Campus network security model study
Zhang, Yong-ku; Song, Li-ren
2011-12-01
Campus network security is growing importance, Design a very effective defense hacker attacks, viruses, data theft, and internal defense system, is the focus of the study in this paper. This paper compared the firewall; IDS based on the integrated, then design of a campus network security model, and detail the specific implementation principle.
A Rigorous Investigation on the Ground State of the Penson-Kolb Model
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
Collective excitations in the Penson-Kolb model: A generalized random-phase-approximation study
International Nuclear Information System (INIS)
Roy, G.K.; Bhattacharyya, B.
1997-01-01
The evolution of the superconducting ground state of the half-filled Penson-Kolb model is examined as a function of the coupling constant using a mean-field approach and the generalized random phase approximation (RPA) in two and three dimensions. On-site singlet pairs hop to compete against single-particle motion in this model, giving the coupling constant a strong momentum dependence. There is a pronounced bandwidth enhancement effect that converges smoothly to a finite value in the strong-coupling (Bose) regime. The low-lying collective excitations evaluated in generalized RPA show a linear dispersion and a gradual crossover from the weak-coupling (BCS) limit to the Bose regime; the mode velocity increases monotonically in sharp contrast to the attractive Hubbard model. Analytical results are derived in the asymptotic limits. copyright 1997 The American Physical Society
Stark, J.R.; Busch, J.P.; Deters, M.H.
1991-01-01
Unconfined and the upper confined aquifers in glacial drift are the primary sources of water in a 1,600 square-mile area including parts of Beltrami, Cass, Clearwater, and Hubbard Counties, Minnesota. The unconfineddrift aquifer consists of coarse sand and gravel in the center of the study area. The total area underlain by the unconfined-drift aquifer is approximately 550 square miles. The unconfined aquifer ranges in thickness from 0 to 130 feet, and is greater than 20 feet thick over an area of 280 square miles. On the basis of scant data, the transmissivity of the unconfined aquifer ranges from less than 70 feet squared per day in the south and west to greater than 8,900 feet squared per day in an area west of Bemidji. Well yields from 10 to 300 gallons per minute are possible in some areas. The unconfined and upper confined-drift aquifers are separated by a fine-grained confining unit of till or lake deposits.
Arvicanthis ansorgei, a Novel Model for the Study of Sleep and Waking in Diurnal Rodents
Hubbard, Jeffrey; Ruppert, Elisabeth; Calvel, Laurent; Robin-Choteau, Ludivine; Gropp, Claire-Marie; Allemann, Caroline; Reibel, Sophie; Sage-Ciocca, Dominique; Bourgin, Patrice
2015-01-01
Study Objectives: Sleep neurobiology studies use nocturnal species, mainly rats and mice. However, because their daily sleep/wake organization is inverted as compared to humans, a diurnal model for sleep studies is needed. To fill this gap, we phenotyped sleep and waking in Arvicanthis ansorgei, a diurnal rodent widely used for the study of circadian rhythms. Design: Video-electroencephalogram (EEG), electromyogram (EMG), and electrooculogram (EOG) recordings. Setting: Rodent sleep laboratory. Participants: Fourteen male Arvicanthis ansorgei, aged 3 mo. Interventions: 12 h light (L):12 h dark (D) baseline condition, 24-h constant darkness, 6-h sleep deprivation. Measurements and Results: Wake and rapid eye movement (REM) sleep showed similar electrophysiological characteristics as nocturnal rodents. On average, animals spent 12.9 h ± 0.4 awake per 24-h cycle, of which 6.88 h ± 0.3 was during the light period. NREM sleep accounted for 9.63 h ± 0.4, which of 5.13 h ± 0.2 during dark period, and REM sleep for 89.9 min ± 6.7, which of 52.8 min ± 4.4 during dark period. The time-course of sleep and waking across the 12 h light:12 h dark was overall inverted to that observed in rats or mice, though with larger amounts of crepuscular activity at light and dark transitions. A dominant crepuscular regulation of sleep and waking persisted under constant darkness, showing the lack of a strong circadian drive in the absence of clock reinforcement by external cues, such as a running wheel. Conservation of the homeostatic regulation was confirmed with the observation of higher delta power following sustained waking periods and a 6-h sleep deprivation, with subsequent decrease during recovery sleep. Conclusions: Arvicanthis ansorgei is a valid diurnal rodent model for studying the regulatory mechanisms of sleep and so represents a valuable tool for further understanding the nocturnality/diurnality switch. Citation: Hubbard J, Ruppert E, Calvel L, Robin-Choteau L, Gropp CM
Kuala Kemaman hydraulic model study
International Nuclear Information System (INIS)
Abdul Kadir Ishak
2005-01-01
There The problems facing the area of Kuala Kemaman are siltation and erosion at shoreline. The objectives of study are to assess the best alignment of the groyne alignment, to ascertain the most stable shoreline regime and to investigate structural measures to overcome the erosion. The scope of study are data collection, wave analysis, hydrodynamic simulation and sediment transport simulation. Numerical models MIKE 21 are used - MIKE 21 NSW, for wind-wave model, which describes the growth, decay and transformation of wind-generated waves and swell in nearshore areas. The study takes into account effects of refraction and shoaling due to varying depth, energy dissipation due to bottom friction and wave breaking, MIKE 21 HD - modelling system for 2D free-surface flow which to stimulate the hydraulics phenomena in estuaries, coastal areas and seas. Predicted tidal elevation and waves (radiation stresses) are considered into study while wind is not considered. MIKE 21 ST - the system that calculates the rates of non-cohesive (sand) sediment transport for both pure content and combined waves and current situation
Studies of Catalytic Model Systems
DEFF Research Database (Denmark)
Holse, Christian
The overall topic of this thesis is within the field of catalysis, were model systems of different complexity have been studied utilizing a multipurpose Ultra High Vacuum chamber (UHV). The thesis falls in two different parts. First a simple model system in the form of a ruthenium single crystal...... of the Cu/ZnO nanoparticles is highly relevant to industrial methanol synthesis for which the direct interaction of Cu and ZnO nanocrystals synergistically boost the catalytic activity. The dynamical behavior of the nanoparticles under reducing and oxidizing environments were studied by means of ex situ X......-ray Photoelectron Electron Spectroscopy (XPS) and in situ Transmission Electron Microscopy (TEM). The surface composition of the nanoparticles changes reversibly as the nanoparticles exposed to cycles of high-pressure oxidation and reduction (200 mbar). Furthermore, the presence of metallic Zn is observed by XPS...
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-...
NURE uranium deposit model studies
International Nuclear Information System (INIS)
Crew, M.E.
1981-01-01
The National Uranium Resource Evaluation (NURE) Program has sponsored uranium deposit model studies by Bendix Field Engineering Corporation (Bendix), the US Geological Survey (USGS), and numerous subcontractors. This paper deals only with models from the following six reports prepared by Samuel S. Adams and Associates: GJBX-1(81) - Geology and Recognition Criteria for Roll-Type Uranium Deposits in Continental Sandstones; GJBX-2(81) - Geology and Recognition Criteria for Uraniferous Humate Deposits, Grants Uranium Region, New Mexico; GJBX-3(81) - Geology and Recognition Criteria for Uranium Deposits of the Quartz-Pebble Conglomerate Type; GJBX-4(81) - Geology and Recognition Criteria for Sandstone Uranium Deposits in Mixed Fluvial-Shallow Marine Sedimentary Sequences, South Texas; GJBX-5(81) - Geology and Recognition Criteria for Veinlike Uranium Deposits of the Lower to Middle Proterozoic Unconformity and Strata-Related Types; GJBX-6(81) - Geology and Recognition Criteria for Sandstone Uranium Deposits of the Salt Wash Type, Colorado Plateau Province. A unique feature of these models is the development of recognition criteria in a systematic fashion, with a method for quantifying the various items. The recognition-criteria networks are used in this paper to illustrate the various types of deposits
Feasible and realiable ab initio atomistic modeling for nuclear waste management
Energy Technology Data Exchange (ETDEWEB)
Beridze, George
2016-07-01
The studies in this PhD dissertation focus on finding a computationally feasible ab initio methodology which would make the reliable first principle atomistic modeling of nuclear materials possible. Here we tested the performance of the different DFT functionals and the DFT-based methods that explicitly account for the electronic correlations, such as the DFT+U approach, for prediction of structural and thermochemical properties of lanthanide- and actinide-bearing materials. In the previous studies, the value of the Hubbard U parameter, required by the DFT+U method, was often guessed or empirically derived. We applied and extensively tested the recently developed ab initio methods such as the constrained local density approximation (cLDA) and the constrained random phase approximation (cRPA), to compute the Hubbard U parameter values from first principles, thus making the DFT+U method a real it ab initio parameter free approach. Our successful benchmarking studies of the parameter-free DFT+U method, for prediction of the structures and the reaction enthalpies of actinide- and lanthanide-bearing molecular compounds and solids indicate, that the linear response method (cLDA) provides a very good, and consistent with the cRPA prediction, estimate of the Hubbard U parameter. In particular, we found that the Hubbard U parameter value, which describes the strength of the on-site Coulomb repulsion between f-electrons, depends strongly on the oxidation state of the f-element, its local bonding environment and crystalline structure of the materials, which has never been considered in such detail before. We have shown, that the applied computational approach substantially, if not dramatically, reduces the error of the predicted reaction enthalpies making the accuracy of the prediction comparable with the uncertainty of the computational unfeasible, higher order methods of quantum chemistry, and experiments. The derived methodology resulted in various, already published
Feasible and realiable ab initio atomistic modeling for nuclear waste management
International Nuclear Information System (INIS)
Beridze, George
2016-01-01
The studies in this PhD dissertation focus on finding a computationally feasible ab initio methodology which would make the reliable first principle atomistic modeling of nuclear materials possible. Here we tested the performance of the different DFT functionals and the DFT-based methods that explicitly account for the electronic correlations, such as the DFT+U approach, for prediction of structural and thermochemical properties of lanthanide- and actinide-bearing materials. In the previous studies, the value of the Hubbard U parameter, required by the DFT+U method, was often guessed or empirically derived. We applied and extensively tested the recently developed ab initio methods such as the constrained local density approximation (cLDA) and the constrained random phase approximation (cRPA), to compute the Hubbard U parameter values from first principles, thus making the DFT+U method a real it ab initio parameter free approach. Our successful benchmarking studies of the parameter-free DFT+U method, for prediction of the structures and the reaction enthalpies of actinide- and lanthanide-bearing molecular compounds and solids indicate, that the linear response method (cLDA) provides a very good, and consistent with the cRPA prediction, estimate of the Hubbard U parameter. In particular, we found that the Hubbard U parameter value, which describes the strength of the on-site Coulomb repulsion between f-electrons, depends strongly on the oxidation state of the f-element, its local bonding environment and crystalline structure of the materials, which has never been considered in such detail before. We have shown, that the applied computational approach substantially, if not dramatically, reduces the error of the predicted reaction enthalpies making the accuracy of the prediction comparable with the uncertainty of the computational unfeasible, higher order methods of quantum chemistry, and experiments. The derived methodology resulted in various, already published
International Nuclear Information System (INIS)
Lee, Si Y.; Hyun, Sinjae
2013-01-01
A new disposal unit, designated as Saltstone Disposal Unit 6 (SDU6), is being designed for support of site accelerated closure goals and salt waste projections identified in the new Liquid Waste System Plan. The unit is a cylindrical disposal cell of 375 ft in diameter and 43 ft in height, and it has a minimum 30 million gallons of capacity. SRNL was requested to evaluate the impact of an increased grout placement height on the flow patterns radially spread on the floor and to determine whether grout quality is impacted by the height. The primary goals of the work are to develop the baseline Computational Fluid Dynamics (CFD) model and to perform the evaluations for the flow patterns of grout material in SDU6 as a function of elevation of grout discharge port and grout rheology. Two transient grout models have been developed by taking a three-dimensional multiphase CFD approach to estimate the domain size of the grout materials radially spread on the facility floor and to perform the sensitivity analysis with respect to the baseline design and operating conditions such as elevation height of the discharge port and fresh grout properties. For the CFD modeling calculations, air-grout Volume of Fluid (VOF) method combined with Bingham plastic and time-dependent grout models were used for examining the impact of fluid spread performance for the initial baseline configurations and to evaluate the impact of grout pouring height on grout quality. The grout quality was estimated in terms of the air volume fraction for the grout layer formed on the SDU6 floor, resulting in the change of grout density. The study results should be considered as preliminary scoping analyses since benchmarking analysis is not included in this task scope. Transient analyses with the Bingham plastic model were performed with the FLUENTTM code on the high performance parallel computing platform in SRNL. The analysis coupled with a transient grout aging model was performed by using ANSYS-CFX code
Benthic boundary layer modelling studies
International Nuclear Information System (INIS)
Richards, K.J.
1984-01-01
A numerical model has been developed to study the factors which control the height of the benthic boundary layer in the deep ocean and the dispersion of a tracer within and directly above the layer. This report covers tracer clouds of horizontal scales of 10 to 100 km. The dispersion of a tracer has been studied in two ways. Firstly, a number of particles have been introduced into the flow. The trajectories of these particles provide information on dispersion rates. For flow conditions similar to those observed in the abyssal N.E. Atlantic the diffusivity of a tracer was found to be 5 x 10 6 cm 2 s -1 for a tracer within the boundary layer and 8 x 10 6 cm 2 s -1 for a tracer above the boundary layer. The results are in accord with estimates made from current meter measurements. The second method of studying dispersion was to calculate the evolution of individual tracer clouds. Clouds within and above the benthic boundary layer often show quite different behaviour from each other although the general structure of the clouds in the two regions were found to have no significant differences. (author)
Modeling of full-Heusler alloys within tight-binding approximation: Case study of Fe2MnAl
Azhar, A.; Majidi, M. A.; Nanto, D.
2017-07-01
Heusler alloys have been known for about a century, and predictions of magnetic moment values using Slater-Pauling rule have been successful for many such materials. However, such a simple counting rule has been found not to always work for all Heusler alloys. For instance, Fe2CuAl has been found to have magnetic moment of 3.30 µB per formula unit although the Slater-Pauling rule suggests the value of 2 µB. On the other hand, a recent experiment shows that a non-stoichiometric Heusler compound Fe2Mn0.5Cu0.5Al possesses magnetic moment of 4 µB, closer to the Slater-Pauling prediction for the stoichiometric compound. Such discrepancies signify that the theory to predict the magnetic moment of Heusler alloys in general is still far from being complete. Motivated by this issue, we propose to do a theoretical study on a full-Heusler alloy Fe2MnAl to understand the formation of magnetic moment microscopically. We model the system by constructing a density-functional-theory-based tight-binding Hamiltonian and incorporating Hubbard repulsive as well as spin-spin interactions for the electrons occupying the d-orbitals. Then, we solve the model using Green's function approach, and treat the interaction terms within the mean-field approximation. At this stage, we aim to formulate the computational algorithm for the overall calculation process. Our final goal is to compute the total magnetic moment per unit cell of this system and compare it with the experimental data.
Energy Technology Data Exchange (ETDEWEB)
Krawiec, M.; Kwapinski, T.; Jalochowski, M. [Institute of Physics and Nanotechnology Center, M. Curie-Sklodowska University, pl. M. Curie-Sklodowskiej 1, 20-031 Lublin (Poland)
2005-02-01
We study electronic and topographic properties of the Si(335) surface, containing Au wires parallel to the steps. We use scanning tunneling microscopy (STM) supplemented by reflection of high energy electron diffraction (RHEED) technique. The STM data show the space and voltage dependent oscillations of the distance between STM tip and the surface which can be explained within one band tight binding Hubbard model. We calculate the STM current using nonequilibrium Keldysh Green function formalism. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
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...
Crystal study and econometric model
1975-01-01
An econometric model was developed that can be used to predict demand and supply figures for crystals over a time horizon roughly concurrent with that of NASA's Space Shuttle Program - that is, 1975 through 1990. The model includes an equation to predict the impact on investment in the crystal-growing industry. Actually, two models are presented. The first is a theoretical model which follows rather strictly the standard theoretical economic concepts involved in supply and demand analysis, and a modified version of the model was developed which, though not quite as theoretically sound, was testable utilizing existing data sources.
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
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.
Experimental and theoretical studies of manganite and magnetite compounds
International Nuclear Information System (INIS)
Srinitiwarawong, Chatchai
2002-01-01
In the recent years interest in the transition oxide compounds has renewed among researchers in the field of condensed matter physics. This thesis presents the studies of the two families of the transition oxides, the manganite and magnetite compounds. Manganite has regained the interest since the discovery of the large magnetoresistance around its Curie temperature in 1990s. Magnetite on the other hand is the oldest magnetic material known to man however some of its physical properties are still controversial. The experimental works address some basic properties of these compounds when fabricated in the form of thin films. These include the resistivity measurements and magnetic measurements as well as the Hall effect. The various models of transport mechanism have been compared. The magnetic field and the temperature dependence of magnetoresistance have also been studied. Simple devices such as an artificial grain boundary and bilayers thin film have been investigated. The second part of this thesis concentrates on the theoretical aspects of the fundamental physics behind these two compounds. The problem of electrons tunnelling between the magnetite electrodes has been addressed taking into account the surface effect with distortion. The last chapter presents a theoretical study of the spinless-Hubbard model which is the simplest approximation of the conduction electrons in magnetite and manganite. The results are obtained from the Hartree-Fock and the Hubbard-I approximations as well as the exact diagonalisation method. (author)
Fallout model for system studies
International Nuclear Information System (INIS)
Harvey, T.F.; Serduke, F.J.D.
1979-01-01
A versatile fallout model was developed to assess complex civil defense and military effect issues. Large technical and scenario uncertainties require a fast, adaptable, time-dependent model to obtain technically defensible fallout results in complex demographic scenarios. The KDFOC2 capability, coupled with other data bases, provides the essential tools to consider tradeoffs between various plans and features in different nuclear scenarios and estimate the technical uncertainties in the predictions. All available data were used to validate the model. In many ways, the capability is unmatched in its ability to predict fallout hazards to a society
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
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.
BIOMOVS: an international model validation study
International Nuclear Information System (INIS)
Haegg, C.; Johansson, G.
1988-01-01
BIOMOVS (BIOspheric MOdel Validation Study) is an international study where models used for describing the distribution of radioactive and nonradioactive trace substances in terrestrial and aquatic environments are compared and tested. The main objectives of the study are to compare and test the accuracy of predictions between such models, explain differences in these predictions, recommend priorities for future research concerning the improvement of the accuracy of model predictions and act as a forum for the exchange of ideas, experience and information. (author)
BIOMOVS: An international model validation study
International Nuclear Information System (INIS)
Haegg, C.; Johansson, G.
1987-01-01
BIOMOVS (BIOspheric MOdel Validation Study) is an international study where models used for describing the distribution of radioactive and nonradioactive trace substances in terrestrial and aquatic environments are compared and tested. The main objectives of the study are to compare and test the accuracy of predictions between such models, explain differences in these predictions, recommend priorities for future research concerning the improvement of the accuracy of model predictions and act as a forum for the exchange of ideas, experience and information. (orig.)
Imitation Modeling and Institutional Studies
Directory of Open Access Journals (Sweden)
Maksim Y. Barbashin
2017-09-01
Full Text Available This article discusses the use of imitation modeling in the conduct of institutional research. The institutional approach is based on the observation of social behavior. To understand a social process means to determine the key rules that individuals use, undertaking social actions associated with this process or phenomenon. This does not mean that institutions determine behavioral reactions, although there are a number of social situations where the majority of individuals follow the dominant rules. If the main laws of development of the institutional patterns are known, one can describe most of the social processes accurately. The author believes that the main difficulty with the analysis of institutional processes is their recursive nature: from the standards of behavior one may find the proposed actions of social agents who follow, obey or violate institutions, but the possibility of reconstructive analysis is not obvious. The author demonstrates how the institutional approach is applied to the analysis of social behavior. The article describes the basic principles and methodology of imitation modeling. Imitation modeling reveals the importance of institutions in structuring social transactions. The article concludes that in the long term institutional processes are not determined by initial conditions.
The Optimal Inhomogeneity for Superconductivity: Finite Size Studies
Energy Technology Data Exchange (ETDEWEB)
Tsai, W-F.
2010-04-06
We report the results of exact diagonalization studies of Hubbard models on a 4 x 4 square lattice with periodic boundary conditions and various degrees and patterns of inhomogeneity, which are represented by inequivalent hopping integrals t and t{prime}. We focus primarily on two patterns, the checkerboard and the striped cases, for a large range of values of the on-site repulsion U and doped hole concentration, x. We present evidence that superconductivity is strongest for U of order the bandwidth, and intermediate inhomogeneity, 0 < t{prime} < t. The maximum value of the 'pair-binding energy' we have found with purely repulsive interactions is {Delta}{sub pb} = 0.32t for the checkerboard Hubbard model with U = 8t and t{prime} = 0.5t. Moreover, for near optimal values, our results are insensitive to changes in boundary conditions, suggesting that the correlation length is sufficiently short that finite size effects are already unimportant.
Studying shocks in model astrophysical flows
International Nuclear Information System (INIS)
Chakrabarti, S.K.
1989-01-01
We briefly discuss some properties of the shocks in the existing models for quasi two-dimensional astrophysical flows. All of these models which allow the study of shock analytically have some unphysical characteristics due to inherent assumptions made. We propose a hybrid model for a thin flow which has fewer unpleasant features and is suitable for the study of shocks. (author). 5 refs
Operations planning simulation: Model study
1974-01-01
The use of simulation modeling for the identification of system sensitivities to internal and external forces and variables is discussed. The technique provides a means of exploring alternate system procedures and processes, so that these alternatives may be considered on a mutually comparative basis permitting the selection of a mode or modes of operation which have potential advantages to the system user and the operator. These advantages are measurements is system efficiency are: (1) the ability to meet specific schedules for operations, mission or mission readiness requirements or performance standards and (2) to accomplish the objectives within cost effective limits.
International Nuclear Information System (INIS)
Apusheva, B.K.; Nurumbetova, R.M.; Tuleubaev, B.A.
1998-01-01
The detoxification is one of the most acute problems of the population rehabilitation program of Semipalatinsk region suffered from the nuclear tests in 1949 - 1989. It is known that a Humanitarian Detoxification Service is success-fully functioning in Russia and facilitates the creation of improving centers for the removal of toxic chemical deposits, radiation decay products, and drugs out of the human organism. A method, which permits the successful removal of chemical deposits from the organism, consists of a number of procedures including the intake of a balanced amount of vitamins and minerals, physical exercises and sauna. It is based on the developments of an American scientist L. Ron Hubbard and analytical results of different biologists, physicians and pharmacologists. The effectiveness of the method was confirmed with the numerous clinical tests and examination of over 20,000 patients. The positive results were also obtained during the application of method to the people suffered from the Chernobyl accident. It is proposed to establish such detoxification centre in Kurchatov in order to perform similar investigations among the population of Semipalatinsk region affected by the nuclear testing. It will be created under the auspices of the Kazakh Detoxification Centre and the Pavlodar Centre of the Dianetika International Public Movement. The stable and successive functioning of the Centre is entirely dependent on the financing from the different funds and contract works. This paper proposes the ways of practical solution of man detoxification problem and the introduction of the method into the existing system of population rehabilitation
International Nuclear Information System (INIS)
Kishine, Jun-Ichiro; Yonemitsu, Kenji
1998-01-01
Physical nature of dimensional crossovers in weakly coupled Hubbard chains and ladders has been discussed within the framework of the perturbative renormalization-group (PRG) approach. The difference between these two cases originates from different universality classes which the corresponding isolated systems belong to. In the present work, we discuss the nature of the dimensional crossovers in the weakly coupled chains and ladders, with emphasis on the difference between the two cases within the framework of the PRG approach. The difference of the universality class of the isolated chain and ladder profoundly affects the relevance or irrelevance of the inter-chain/ladder one-particle hopping. The strong coupling phase of the isolated ladder makes the one-particle process irrelevant so that the d-wave superconducting transition can be induced via the two-particle crossover in the weakly coupled ladders. The weak coupling phase of the isolated chain makes the one-particle process relevant so that the two-particle crossover can hardly be realized in the coupled chains. (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)
Role of spin-orbit coupling in the Kugel-Khomskii model on the honeycomb lattice
Koga, Akihisa; Nakauchi, Shiryu; Nasu, Joji
2018-03-01
We study the effective spin-orbital model for honeycomb-layered transition metal compounds, applying the second-order perturbation theory to the three-orbital Hubbard model with the anisotropic hoppings. This model is reduced to the Kitaev model in the strong spin-orbit coupling limit. Combining the cluster mean-field approximations with the exact diagonalization, we treat the Kugel-Khomskii type superexchange interaction and spin-orbit coupling on an equal footing to discuss ground-state properties. We find that a zigzag ordered state is realized in the model within nearest-neighbor interactions. We clarify how the ordered state competes with the nonmagnetic state, which is adiabatically connected to the quantum spin liquid state realized in a strong spin-orbit coupling limit. Thermodynamic properties are also addressed. The present paper should provide another route to account for the Kitaev-based magnetic properties in candidate materials.
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
Hagymási, I.; Itai, K.; Sólyom, J.
2012-06-01
We investigate an extended version of the periodic Anderson model (the so-called periodic Anderson-Hubbard model) with the aim to understand the role of interaction between conduction electrons in the formation of the heavy-fermion and mixed-valence states. Two methods are used: (i) variational calculation with the Gutzwiller wave function optimizing numerically the ground-state energy and (ii) exact diagonalization of the Hamiltonian for short chains. The f-level occupancy and the renormalization factor of the quasiparticles are calculated as a function of the energy of the f orbital for a wide range of the interaction parameters. The results obtained by the two methods are in reasonably good agreement for the periodic Anderson model. The agreement is maintained even when the interaction between band electrons, Ud, is taken into account, except for the half-filled case. This discrepancy can be explained by the difference between the physics of the one- and higher-dimensional models. We find that this interaction shifts and widens the energy range of the bare f level, where heavy-fermion behavior can be observed. For large-enough Ud this range may lie even above the bare conduction band. The Gutzwiller method indicates a robust transition from Kondo insulator to Mott insulator in the half-filled model, while Ud enhances the quasiparticle mass when the filling is close to half filling.
QCD and Standard Model Studies
Energy Technology Data Exchange (ETDEWEB)
Gagliardi, Carl A [Texas A & M Univ., College Station, TX (United States)
2017-02-28
Our group has focused on using jets in STAR to investigate the longitudinal and transverse spin structure of the proton. We performed measurements of the longitudinal double-spin asymmetry for inclusive jet production that provide the strongest evidence to date that the gluons in the proton with x>0.05 are polarized. We also made the first observation of the Collins effect in pp collisions, thereby providing an important test of the universality of the Collins fragmentation function and opening a new tool to probe quark transversity in the proton. Our studies of forward rapidity electromagnetic jet-like events raise serious question whether the large transverse spin asymmetries that have been seen for forward inclusive hadron production arise from conventional 2 → 2 parton scattering. This is the final technical report for DOE Grant DE-FG02-93ER40765. It covers activities during the period January 1, 2015 through November 30, 2016.
Situk River Hydrology Following Closure of Russell Fiord by Hubbard Glacier
2011-03-01
approximately 137.2 ft. A HEC - RAS one-dimensional flow model estimated the levels and flows of the Si- tuk River system, including the Old Situk, Upper...23 Development of HEC - RAS geometry for Situk River ................................................................. 26 Boundary conditions...28 Figure 20. Situk River geometry model in HEC - RAS
Magnetic behavior of a spin-1 Blume-Emery-Griffiths model
International Nuclear Information System (INIS)
Mancini, F P
2010-01-01
I study the one-dimensional spin-1 Blume-Emery-Griffiths model with bilinear and biquadratic exchange interactions and single-ion crystal field under an applied magnetic field. This model can be exactly mapped into a tight-binding Hubbard model - extended to include intersite interactions - provided one renormalizes the chemical and the on-site potentials, which become temperature dependent. After this transformation, I provide the exact solution of the Blume-Emery-Griffiths model in one dimension by means of the Green's functions and equations of motion formalism. I investigate the magnetic variations of physical quantities - such as magnetization, quadrupolar moment, susceptibility - for different values of the interaction parameters and of the applied field, focusing on the role played by the biquadratic interaction in the breakdown of the magnetization plateaus.
A SYSTEMATIC STUDY OF SOFTWARE QUALITY MODELS
Dr.Vilas. M. Thakare; Ashwin B. Tomar
2011-01-01
This paper aims to provide a basis for software quality model research, through a systematic study ofpapers. It identifies nearly seventy software quality research papers from journals and classifies paper asper research topic, estimation approach, study context and data set. The paper results combined withother knowledge provides support for recommendations in future software quality model research, toincrease the area of search for relevant studies, carefully select the papers within a set ...
Models to Study Colonisation and Colonisation Resistance
Boreau, H.; Hartmann, L.; Karjalainen, T.; Rowland, I.; Wilkinson, M. H. F.
2011-01-01
This review describes various in vivo animal models (humans; conventional animals administered antimicrobial agents and animals species used; gnotobiotic and germ-free animals), in vitro models (luminal and mucosal), and in silico and mathematicalmodels which have been developed to study colonisation and colonisation resistance and effects of gut flora on hosts. Where applicable, the advantages and disadvantages of each model are discussed.Keywords: colonisation, colonisation resistance, anim...
A Study of Simple Diffraction Models
DEFF Research Database (Denmark)
Agerkvist, Finn
In this paper two simple methods for cabinet edge diffraction are examined. Calculations with both models are compared with more sophisticated theoretical models and with measured data. The parameters involved are studied and their importance for normal loudspeaker box designs is examined....
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
Nuclear clustering - a cluster core model study
International Nuclear Information System (INIS)
Paul Selvi, G.; Nandhini, N.; Balasubramaniam, M.
2015-01-01
Nuclear clustering, similar to other clustering phenomenon in nature is a much warranted study, since it would help us in understanding the nature of binding of the nucleons inside the nucleus, closed shell behaviour when the system is highly deformed, dynamics and structure at extremes. Several models account for the clustering phenomenon of nuclei. We present in this work, a cluster core model study of nuclear clustering in light mass nuclei
A mixed model framework for teratology studies.
Braeken, Johan; Tuerlinckx, Francis
2009-10-01
A mixed model framework is presented to model the characteristic multivariate binary anomaly data as provided in some teratology studies. The key features of the model are the incorporation of covariate effects, a flexible random effects distribution by means of a finite mixture, and the application of copula functions to better account for the relation structure of the anomalies. The framework is motivated by data of the Boston Anticonvulsant Teratogenesis study and offers an integrated approach to investigate substantive questions, concerning general and anomaly-specific exposure effects of covariates, interrelations between anomalies, and objective diagnostic measurement.
Mining Product Data Models: A Case Study
Directory of Open Access Journals (Sweden)
Cristina-Claudia DOLEAN
2014-01-01
Full Text Available This paper presents two case studies used to prove the validity of some data-flow mining algorithms. We proposed the data-flow mining algorithms because most part of mining algorithms focuses on the control-flow perspective. First case study uses event logs generated by an ERP system (Navision after we set several trackers on the data elements needed in the process analyzed; while the second case study uses the event logs generated by YAWL system. We offered a general solution of data-flow model extraction from different data sources. In order to apply the data-flow mining algorithms the event logs must comply a certain format (using InputOutput extension. But to respect this format, a set of conversion tools is needed. We depicted the conversion tools used and how we got the data-flow models. Moreover, the data-flow model is compared to the control-flow model.
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
A model study of bridge hydraulics
2010-08-01
Most flood studies in the United States use the Army Corps of Engineers HEC-RAS (Hydrologic Engineering : Centers River Analysis System) computer program. This study was carried out to compare results of HEC-RAS : bridge modeling with laboratory e...
Exact diagonalization library for quantum electron models
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.
Comparative Study of Bancruptcy Prediction Models
Directory of Open Access Journals (Sweden)
Isye Arieshanti
2013-09-01
Full Text Available Early indication of bancruptcy is important for a company. If companies aware of potency of their bancruptcy, they can take a preventive action to anticipate the bancruptcy. In order to detect the potency of a bancruptcy, a company can utilize a a model of bancruptcy prediction. The prediction model can be built using a machine learning methods. However, the choice of machine learning methods should be performed carefully. Because the suitability of a model depends on the problem specifically. Therefore, in this paper we perform a comparative study of several machine leaning methods for bancruptcy prediction. According to the comparative study, the performance of several models that based on machine learning methods (k-NN, fuzzy k-NN, SVM, Bagging Nearest Neighbour SVM, Multilayer Perceptron(MLP, Hybrid of MLP + Multiple Linear Regression, it can be showed that fuzzy k-NN method achieve the best performance with accuracy 77.5%
Neonatal Seizure Models to Study Epileptogenesis
Directory of Open Access Journals (Sweden)
Yuka Kasahara
2018-04-01
Full Text Available Current therapeutic strategies for epilepsy include anti-epileptic drugs and surgical treatments that are mainly focused on the suppression of existing seizures rather than the occurrence of the first spontaneous seizure. These symptomatic treatments help a certain proportion of patients, but these strategies are not intended to clarify the cellular and molecular mechanisms underlying the primary process of epilepsy development, i.e., epileptogenesis. Epileptogenic changes include reorganization of neural and glial circuits, resulting in the formation of an epileptogenic focus. To achieve the goal of developing “anti-epileptogenic” drugs, we need to clarify the step-by-step mechanisms underlying epileptogenesis for patients whose seizures are not controllable with existing “anti-epileptic” drugs. Epileptogenesis has been studied using animal models of neonatal seizures because such models are useful for studying the latent period before the occurrence of spontaneous seizures and the lowering of the seizure threshold. Further, neonatal seizure models are generally easy to handle and can be applied for in vitro studies because cells in the neonatal brain are suitable for culture. Here, we review two animal models of neonatal seizures for studying epileptogenesis and discuss their features, specifically focusing on hypoxia-ischemia (HI-induced seizures and febrile seizures (FSs. Studying these models will contribute to identifying the potential therapeutic targets and biomarkers of epileptogenesis.
Differential Equations Models to Study Quorum Sensing.
Pérez-Velázquez, Judith; Hense, Burkhard A
2018-01-01
Mathematical models to study quorum sensing (QS) have become an important tool to explore all aspects of this type of bacterial communication. A wide spectrum of mathematical tools and methods such as dynamical systems, stochastics, and spatial models can be employed. In this chapter, we focus on giving an overview of models consisting of differential equations (DE), which can be used to describe changing quantities, for example, the dynamics of one or more signaling molecule in time and space, often in conjunction with bacterial growth dynamics. The chapter is divided into two sections: ordinary differential equations (ODE) and partial differential equations (PDE) models of QS. Rates of change are represented mathematically by derivatives, i.e., in terms of DE. ODE models allow describing changes in one independent variable, for example, time. PDE models can be used to follow changes in more than one independent variable, for example, time and space. Both types of models often consist of systems (i.e., more than one equation) of equations, such as equations for bacterial growth and autoinducer concentration dynamics. Almost from the onset, mathematical modeling of QS using differential equations has been an interdisciplinary endeavor and many of the works we revised here will be placed into their biological context.
Colin A. Penn; Beverley C. Wemple; John L. Campbell
2012-01-01
Many factors influence snow depth, water content and duration in forest ecosystems. The effects of forest cover and canopy gap geometry on snow accumulation has been well documented in coniferous forests of western North America and other regions; however, few studies have evaluated these effects on snowpack dynamics in mixed deciduous forests of the northeastern USA....
Mixed models in cerebral ischemia study
Directory of Open Access Journals (Sweden)
Matheus Henrique Dal Molin Ribeiro
2016-06-01
Full Text Available The data modeling from longitudinal studies stands out in the current scientific scenario, especially in the areas of health and biological sciences, which induces a correlation between measurements for the same observed unit. Thus, the modeling of the intra-individual dependency is required through the choice of a covariance structure that is able to receive and accommodate the sample variability. However, the lack of methodology for correlated data analysis may result in an increased occurrence of type I or type II errors and underestimate/overestimate the standard errors of the model estimates. In the present study, a Gaussian mixed model was adopted for the variable response latency of an experiment investigating the memory deficits in animals subjected to cerebral ischemia when treated with fish oil (FO. The model parameters estimation was based on maximum likelihood methods. Based on the restricted likelihood ratio test and information criteria, the autoregressive covariance matrix was adopted for errors. The diagnostic analyses for the model were satisfactory, since basic assumptions and results obtained corroborate with biological evidence; that is, the effectiveness of the FO treatment to alleviate the cognitive effects caused by cerebral ischemia was found.
A Case Study Application Of Time Study Model In Paint ...
African Journals Online (AJOL)
This paper presents a case study in the development and application of a time study model in a paint manufacturing company. The organization specializes in the production of different grades of paint and paint containers. The paint production activities include; weighing of raw materials, drying of raw materials, dissolving ...
Overhead distribution line models for harmonics studies
Energy Technology Data Exchange (ETDEWEB)
Nagpal, M.; Xu, W.; Dommel, H.W.
1994-01-01
Carson's formulae and Maxwell's potential coefficients are used for calculating the per unit length series impedances and shunt capacitances of the overhead lines. The per unit length values are then used for building the models, nominal pi-circuit, and equivalent pi-circuit at the harmonic frequencies. This paper studies the accuracy of these models for presenting the overhead distribution lines in steady-state harmonic solutions at frequencies up to 5 kHz. The models are verified with a field test on a 25 kV distribution line and the sensitivity of the models to ground resistivity, skin effect, and multiple grounding is reported.
Parametric study of a thorium model
International Nuclear Information System (INIS)
Lourenco, M.C.; Lipztein, J.L.; Szwarcwald, C.L.
1997-01-01
Full text. Models for radionuclides distribution in the human body and dosimetry involve assumptions on the biokinetic behaviour of the material among compartments representing organs and tissues in the body. The lack of knowledge about the metabolic behaviour of a radionuclide represents a factor of uncertainty in estimates of committed dose equivalent. An important problem in biokinetic modeling is the correct assignment of transfer coefficients and biological half-lives to body compartments. The purpose of this study is to analyze the variability in the activities of the body compartments in relation to the variations in the transfer coefficients and compartments biological half-lives in a certain model. A thorium specific recycling model for continuous exposure was used. Multiple regression analysis methods were applied to analyze the results
Process modeling study of the CIF incinerator
International Nuclear Information System (INIS)
Hang, T.
1995-01-01
The Savannah River Site (SRS) plans to begin operating the Consolidated Incineration Facility (CIF) in 1996. The CIF will treat liquid and solid low-level radioactive, mixed and RCRA hazardous wastes generated at SRS. In addition to experimental test programs, process modeling was applied to provide guidance in areas of safety, environmental regulation compliances, process improvement and optimization. A steady-state flowsheet model was used to calculate material/energy balances and to track key chemical constituents throughout the process units. Dynamic models were developed to predict the CIF transient characteristics in normal and abnormal operation scenarios. Predictions include the rotary kiln heat transfer, dynamic responses of the CIF to fluctuations in the solid waste feed or upsets in the system equipments, performance of the control system, air inleakage in the kiln, etc. This paper reviews the modeling study performed to assist in the deflagration risk assessment
Leggett's noncontextual model studied with neutrons
International Nuclear Information System (INIS)
Durstberger-Rennhofer, K.; Sponar, S.; Badurek, G.; Hasegawa, Y.; Schmitzer, C.; Bartosik, H.; Klepp, J.
2011-01-01
Full text: It is a long-lasting debate whether nature can be described by deterministic hidden variable theories (HVT) underlying quantum mechanics (QM). Bell inequalities for local HVT as well as the Kochen- Specker theorem for non-contextual models stress the conflict between these alternative theories and QM. Leggett showed that even nonlocal hidden variable models are incompatible with quantum predictions. Neutron interferometry and polarimetry are very proper tools to analyse the behaviour of single neutron systems, where entanglement is created between different degrees of freedom (e.g., spin/ path, spin/energy) and thus quantum contextuality can be studied. We report the first experimental test of a contextual model of quantum mechanics a la Leggett, which deals with definiteness of measurement results before the measurements. The results show a discrepancy between our model and quantum mechanics of more than 7 standard deviations and confirm quantum indefiniteness under the contextual condition. (author)
Parametric study of a thorium model
International Nuclear Information System (INIS)
Lourenco, M.C.; Lipsztein, J.L.; Szwarcwald, C.L.
2002-01-01
Models for radionuclides distribution in the human body and dosimetry involve assumptions on the biokinetic behavior of the material among compartments representing organs and tissues in the body. One of the most important problem in biokinetic modeling is the assignment of transfer coefficients and biological half-lives to body compartments. In Brazil there are many areas of high natural radioactivity, where the population is chronically exposed to radionuclides of the thorium series. The uncertainties of the thorium biokinetic model are a major cause of uncertainty in the estimates of the committed dose equivalent of the population living in high background areas. The purpose of this study is to discuss the variability in the thorium activities accumulated in the body compartments in relation to the variations in the transfer coefficients and compartments biological half-lives of a thorium-recycling model for continuous exposure. Multiple regression analysis methods were applied to analyze the results. (author)
International Nuclear Information System (INIS)
Owusu, Haile K; Yuzbashyan, Emil A
2011-01-01
We study general quantum integrable Hamiltonians linear in a coupling constant and represented by finite N x N real symmetric matrices. The restriction on the coupling dependence leads to a natural notion of nontrivial integrals of motion and classification of integrable families into types according to the number of such integrals. A type M family in our definition is formed by N-M nontrivial mutually commuting operators linear in the coupling. Working from this definition alone, we parameterize type M operators, i.e. resolve the commutation relations, and obtain an exact solution for their eigenvalues and eigenvectors. We show that our parameterization covers all type 1, 2 and 3 integrable models and discuss the extent to which it is complete for other types. We also present robust numerical observation on the number of energy-level crossings in type M integrable systems and analyze the taxonomy of types in the 1D Hubbard model. (paper)
Parametric study for horizontal steam generator modelling
Energy Technology Data Exchange (ETDEWEB)
Ovtcharova, I. [Energoproekt, Sofia (Bulgaria)
1995-12-31
In the presentation some of the calculated results of horizontal steam generator PGV - 440 modelling with RELAP5/Mod3 are described. Two nodalization schemes have been used with different components in the steam dome. A study of parameters variation on the steam generator work and calculated results is made in cases with separator and branch.
Parametric study for horizontal steam generator modelling
Energy Technology Data Exchange (ETDEWEB)
Ovtcharova, I [Energoproekt, Sofia (Bulgaria)
1996-12-31
In the presentation some of the calculated results of horizontal steam generator PGV - 440 modelling with RELAP5/Mod3 are described. Two nodalization schemes have been used with different components in the steam dome. A study of parameters variation on the steam generator work and calculated results is made in cases with separator and branch.
Experimental and modelling studies of infiltration
International Nuclear Information System (INIS)
Giudici, M.
2004-01-01
This presentation describes a study of infiltration in the unsaturated soil with the objective of estimating the recharge to a phreatic aquifer. The study area is at the border of the city of Milan (Northern Italy), which draws water for both domestic and industrial purposes from ground water resources located beneath the urban area. The rate of water pumping from the aquifer system has been varying during the XX century, depending upon the number of inhabitants and the development of industrial activities. This caused variations with time of the depth of the water table below the ground surface and in turn some emergencies: the two most prominent episodes correspond to the middle '70s, when the water table in the city centre was about 30 m below the undisturbed natural conditions, and to the last decade, when the water table has raised at a rate of approximately 1 m/year and caused infiltrations in deep constructions (garages and building foundations, the underground railways, etc.). We have developed four ground water flow models at different scales, which share some characteristics: they are based on quasi-3D approximation (horizontal flow in the aquifers and vertical flow in the aquitards), conservative finite-differences schemes for regular grid with square cells in the horizontal plane and are implemented with proprietary computer codes. Among the problems that were studied for the development of these models, I recall some numerical problems, related to the behaviour of the phreatic aquifer under conditions of strong exploitation. Model calibration and validation for ModMil has been performed with a two-stage process, i.e., using some of the available data for model calibration and the remaining data for model validation. The application of geophysical exploration techniques, in particular seismic and geo-electrical prospecting, has been very useful to complete the data and information on the hydro-geological structure obtained from stratigraphic logs
Pitting corrosion of copper. Further model studies
International Nuclear Information System (INIS)
Taxen, C.
2002-08-01
The work presented in this report is a continuation and expansion of a previous study. The aim of the work is to provide background information about pitting corrosion of copper for a safety analysis of copper canisters for final deposition of radioactive waste. A mathematical model for the propagation of corrosion pits is used to estimate the conditions required for stationary propagation of a localised anodic corrosion process. The model uses equilibrium data for copper and its corrosion products and parameters for the aqueous mass transport of dissolved species. In the present work we have, in the model, used a more extensive set of aqueous and solid compounds and equilibrium data from a different source. The potential dependence of pitting in waters with different compositions is studied in greater detail. More waters have been studied and single parameter variations in the composition of the water have been studied over wider ranges of concentration. The conclusions drawn in the previous study are not contradicted by the present results. However, the combined effect of potential and water composition on the possibility of pitting corrosion is more complex than was realised. In the previous study we found what seemed to be a continuous aggravation of a pitting situation by increasing potentials. The present results indicate that pitting corrosion can take place only over a certain potential range and that there is an upper potential limit for pitting as well as a lower. A sensitivity analysis indicates that the model gives meaningful predictions of the minimum pitting potential also when relatively large errors in the input parameters are allowed for
Analytical study of anisotropic compact star models
Energy Technology Data Exchange (ETDEWEB)
Ivanov, B.V. [Bulgarian Academy of Science, Institute for Nuclear Research and Nuclear Energy, Sofia (Bulgaria)
2017-11-15
A simple classification is given of the anisotropic relativistic star models, resembling the one of charged isotropic solutions. On the ground of this database, and taking into account the conditions for physically realistic star models, a method is proposed for generating all such solutions. It is based on the energy density and the radial pressure as seeding functions. Numerous relations between the realistic conditions are found and the need for a graphic proof is reduced just to one pair of inequalities. This general formalism is illustrated with an example of a class of solutions with linear equation of state and simple energy density. It is found that the solutions depend on three free constants and concrete examples are given. Some other popular models are studied with the same method. (orig.)
Integrated core-edge-divertor modeling studies
International Nuclear Information System (INIS)
Stacey, W.M.
2001-01-01
An integrated calculation model for simulating the interaction of physics phenomena taking place in the plasma core, in the plasma edge and in the SOL and divertor of tokamaks has been developed and applied to study such interactions. The model synthesises a combination of numerical calculations (1) the power and particle balances for the core plasma, using empirical confinement scaling laws and taking into account radiation losses (2), the particle, momentum and power balances in the SOL and divertor, taking into account the effects of radiation and recycling neutrals, (3) the transport of feeling and recycling neutrals, explicitly representing divertor and pumping geometry, and (4) edge pedestal gradient scale lengths and widths, evaluation of theoretical predictions (5) confinement degradation due to thermal instabilities in the edge pedestals, (6) detachment and divertor MARFE onset, (7) core MARFE onsets leading to a H-L transition, and (8) radiative collapse leading to a disruption and evaluation of empirical fits (9) power thresholds for the L-H and H-L transitions and (10) the width of the edge pedestals. The various components of the calculation model are coupled and must be iterated to a self-consistent convergence. The model was developed over several years for the purpose of interpreting various edge phenomena observed in DIII-D experiments and thereby, to some extent, has been benchmarked against experiment. Because the model treats the interactions of various phenomena in the core, edge and divertor, yet is computationally efficient, it lends itself to the investigation of the effects of different choices of various edge plasma operating conditions on overall divertor and core plasma performance. Studies of the effect of feeling location and rate, divertor geometry, plasma shape, pumping and over 'edge parameters' on core plasma properties (line average density, confinement, density limit, etc.) have been performed for DIII-D model problems. A
Mathematical modelling a case studies approach
Illner, Reinhard; McCollum, Samantha; Roode, Thea van
2004-01-01
Mathematical modelling is a subject without boundaries. It is the means by which mathematics becomes useful to virtually any subject. Moreover, modelling has been and continues to be a driving force for the development of mathematics itself. This book explains the process of modelling real situations to obtain mathematical problems that can be analyzed, thus solving the original problem. The presentation is in the form of case studies, which are developed much as they would be in true applications. In many cases, an initial model is created, then modified along the way. Some cases are familiar, such as the evaluation of an annuity. Others are unique, such as the fascinating situation in which an engineer, armed only with a slide rule, had 24 hours to compute whether a valve would hold when a temporary rock plug was removed from a water tunnel. Each chapter ends with a set of exercises and some suggestions for class projects. Some projects are extensive, as with the explorations of the predator-prey model; oth...
Visualization study of operators' plant knowledge model
International Nuclear Information System (INIS)
Kanno, Tarou; Furuta, Kazuo; Yoshikawa, Shinji
1999-03-01
Nuclear plants are typically very complicated systems and are required extremely high level safety on the operations. Since it is never possible to include all the possible anomaly scenarios in education/training curriculum, plant knowledge formation is desired for operators to enable thein to act against unexpected anomalies based on knowledge base decision making. The authors have been conducted a study on operators' plant knowledge model for the purpose of supporting operators' effort in forming this kind of plant knowledge. In this report, an integrated plant knowledge model consisting of configuration space, causality space, goal space and status space is proposed. The authors examined appropriateness of this model and developed a prototype system to support knowledge formation by visualizing the operators' knowledge model and decision making process in knowledge-based actions with this model on a software system. Finally the feasibility of this prototype as a supportive method in operator education/training to enhance operators' ability in knowledge-based performance has been evaluated. (author)
Plasma simulation studies using multilevel physics models
International Nuclear Information System (INIS)
Park, W.; Belova, E.V.; Fu, G.Y.; Tang, X.Z.; Strauss, H.R.; Sugiyama, L.E.
1999-01-01
The question of how to proceed toward ever more realistic plasma simulation studies using ever increasing computing power is addressed. The answer presented here is the M3D (Multilevel 3D) project, which has developed a code package with a hierarchy of physics levels that resolve increasingly complete subsets of phase-spaces and are thus increasingly more realistic. The rationale for the multilevel physics models is given. Each physics level is described and examples of its application are given. The existing physics levels are fluid models (3D configuration space), namely magnetohydrodynamic (MHD) and two-fluids; and hybrid models, namely gyrokinetic-energetic-particle/MHD (5D energetic particle phase-space), gyrokinetic-particle-ion/fluid-electron (5D ion phase-space), and full-kinetic-particle-ion/fluid-electron level (6D ion phase-space). Resolving electron phase-space (5D or 6D) remains a future project. Phase-space-fluid models are not used in favor of δf particle models. A practical and accurate nonlinear fluid closure for noncollisional plasmas seems not likely in the near future. copyright 1999 American Institute of Physics
Plasma simulation studies using multilevel physics models
International Nuclear Information System (INIS)
Park, W.; Belova, E.V.; Fu, G.Y.
2000-01-01
The question of how to proceed toward ever more realistic plasma simulation studies using ever increasing computing power is addressed. The answer presented here is the M3D (Multilevel 3D) project, which has developed a code package with a hierarchy of physics levels that resolve increasingly complete subsets of phase-spaces and are thus increasingly more realistic. The rationale for the multilevel physics models is given. Each physics level is described and examples of its application are given. The existing physics levels are fluid models (3D configuration space), namely magnetohydrodynamic (MHD) and two-fluids; and hybrid models, namely gyrokinetic-energetic-particle/MHD (5D energetic particle phase-space), gyrokinetic-particle-ion/fluid-electron (5D ion phase-space), and full-kinetic-particle-ion/fluid-electron level (6D ion phase-space). Resolving electron phase-space (5D or 6D) remains a future project. Phase-space-fluid models are not used in favor of delta f particle models. A practical and accurate nonlinear fluid closure for noncollisional plasmas seems not likely in the near future
Model study radioecology Biblis. Vol. 2
International Nuclear Information System (INIS)
1976-01-01
The second part of the study deals with questions concerning the release of radioactive substances into the environment via the air pathway and their diffusion. On the basis of an introductory lecture on basic principles the interrelations within the whole complex to be considered are discussed. For the release itself, the fundamental issues concerning type and quantity of radioactive substances and their time behaviour are established. With regard to diffusion, calculation models and their parameters are reviewed. Much the same as the first colloquium, this one too aims at compiling existing models and data, determining the known facts and the questions still open and formulating tasks for the further activities. Thirteen questions emerged. They are concerned, above all, with the existing conditions for release and diffusion at the site. These questions will be dealt with in the forms of partial studies by individual participants or by task groups. Results will be reported on at further colloquia. (orig.) [de
Timothy J. Fahey; Pamela H. Templer; Bruce T. Anderson; John J. Battles; John L. Campbell; Charles T. Driscoll; Anthony R. Fusco; Mark B. Green; Karim-Aly S. Kassam; Nicholas L. Rodenhouse; Lindsey Rustad; Paul G. Schaberg; Matthew A. Vadeboncoeur
2015-01-01
Ecological research is increasingly concentrated at particular locations or sites. This trend reflects a variety of advantages of intensive, site-based research, but also raises important questions about the nature of such spatially delimited research: how well does site based research represent broader areas, and does it constrain scientific discovery? We provide an...
Experimental study and modelling of transient boiling
International Nuclear Information System (INIS)
Baudin, Nicolas
2015-01-01
A failure in the control system of the power of a nuclear reactor can lead to a Reactivity Initiated Accident in a nuclear power plant. Then, a power peak occurs in some fuel rods, high enough to lead to the coolant film boiling. It leads to an important increase of the temperature of the rod. The possible risk of the clad failure is a matter of interest for the Institut de Radioprotection et de Securite Nucleaire. The transient boiling heat transfer is not yet understood and modelled. An experimental set-up has been built at the Institut de Mecanique des Fluides de Toulouse (IMFT). Subcooled HFE-7000 flows vertically upward in a semi annulus test section. The inner half cylinder simulates the clad and is made of a stainless steel foil, heated by Joule effect. Its temperature is measured by an infrared camera, coupled with a high speed camera for the visualization of the flow topology. The whole boiling curve is studied in steady state and transient regimes: convection, onset of boiling, nucleate boiling, critical heat flux, film boiling and rewetting. The steady state heat transfers are well modelled by literature correlations. Models are suggested for the transient heat flux: the convection and nucleate boiling evolutions are self-similar during a power step. This observation allows to model more complex evolutions, as temperature ramps. The transient Hsu model well represents the onset of nucleate boiling. When the intensity of the power step increases, the film boiling begins at the same temperature but with an increasing heat flux. For power ramps, the critical heat flux decreases while the corresponding temperature increases with the heating rate. When the wall is heated, the film boiling heat transfer is higher than in steady state but it is not understood. A two-fluid model well simulates the cooling film boiling and the rewetting. (author)
Simulation model for studying low frequency microinstabilities
International Nuclear Information System (INIS)
Lee, W.W.; Okuda, H.
1976-03-01
A 2 1 / 2 dimensional, electrostatic particle code in a slab geometry has been developed to study low frequency oscillations such as drift wave and trapped particle instabilities in a nonuniform bounded plasma. A drift approximation for the electron transverse motion is made which eliminates the high frequency oscillations at the electron gyrofrequency and its multiples. It is, therefore, possible to study the nonlinear effects such as the anomalous transport of plasmas within a reasonable computing time using a real mass ratio. Several examples are given to check the validity and usefulness of the model
BIOMASS REBURNING - MODELING/ENGINEERING STUDIES
International Nuclear Information System (INIS)
Vladimir Zamansky; David Moyeda; Mark Sheldon
2000-01-01
This project is designed to develop engineering and modeling tools for a family of NO(sub x) control technologies utilizing biomass as a reburning fuel. During the tenth reporting period (January 1-March 31, 2000), EER and NETL R and D group continued to work on Tasks 2, 3, 4, and 5. Information regarding these tasks will be included in the next Quarterly Report. This report includes (Appendix 1) a conceptual design study for the introduction of biomass reburning in a working coal-fired utility boiler. This study was conducted under the coordinated SBIR program funded by the U. S. Department of Agriculture
Technical data report : marine acoustics modelling study
Energy Technology Data Exchange (ETDEWEB)
Chorney, N.; Warner, G.; Austin, M. [Jasco Applied Sciences, Victoria, BC (Canada)
2010-07-01
This study was conducted to predict the ensonification produced by vessel traffic transiting to and from the Enbridge Northern Gateway Project's marine terminal located near Kitimat, British Columbia (BC). An underwater acoustic propagation model was used to model frequency bands from 20 Hz to 5 kHz at a standard depth of 20 metres. The model included bathymetric grids of the modelling area; underwater sound speed as a function of depth; and geo-acoustic profiles based on the stratified composition of the seafloor. The obtained 1/3 octave band levels were then used to determine broadband received sound levels for 4 scenarios along various transit routes: the Langara and Triple Island in Dixon Entrance; the Browning Entrance in Hecate Strait, and Cape St. James in the Queen Charlotte Basin. The scenarios consisted of a tanker transiting at 16 knots, and an accompanying tug boat. Underwater sound level maps for each scenario were presented. 14 refs., 5 tabs., 16 figs.
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.
International Nuclear Information System (INIS)
Weck, Philippe F.; Kim, Eunja
2016-01-01
The structure–property relationships of bulk CeO_2 and Ce_2O_3 have been investigated using AM05 and PBEsol exchange–correlation functionals within the frameworks of Hubbard-corrected density functional theory (DFT+U) and density functional perturbation theory (DFPT+U). Compared with conventional PBE+U, RPBE+U, PW91+U and LDA+U functionals, AM05+U and PBEsol+U describe experimental crystalline parameters and properties of CeO_2 and Ce_2O_3 with superior accuracy, especially when +U is chosen close to its value derived by the linear-response approach. Lastly, the present findings call for a reexamination of some of the problematic oxide materials featuring strong f- and d-electron correlation using AM05+U and PBEsol+U.
Variational study of the pair hopping model
International Nuclear Information System (INIS)
Fazekas, P.
1990-01-01
We study the ground state of a Hamiltonian introduced by Kolb and Penson for modelling situations in which small electron pairs are formed. The Hamiltonian consists of a tight binding band term, and a term describing the nearest neighbour hopping of electron pairs. We give a Gutzwiller-type variational treatment, first with a single-parameter Ansatz treated in the single site Gutzwiller approximation, and then with more complicated trial wave functions, and an improved Gutzwiller approximation. The calculation yields a transition from a partially paired normal state, in which the spin susceptibility has a diminished value, into a fully paired state. (author). 16 refs, 2 figs
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.
Ground state and elementary excitations of a model valence-fluctuation system
International Nuclear Information System (INIS)
Brandow, B.H.
1979-01-01
The nature of the valence fluctuation problem is described, and motivations are given for an Anderson-lattice model Hamiltonian. A simple trial wave function is posed for the ground state, and the variational problem is solved. This demonstrates clearly that there is no Kondo-like divergence; the present concentrated Kondo problem is thus more simple mathematically than the sngle-impurity problem. Elementary excitations are studies by the Green's function techniques of Zubarev and Hubbard. Quenching of local moments and a large specific heat are found at low temperatures. The quasi-particle spectrum exhibits a gap, but epsilon/sub F/ does not lie in this gap. The insulation-like feature of SmB 6 , SmS, and TmSe at very low temperatures is explained in terms of a strongly reduced mobility for states near the gap, and reasons are given why this feature is not observed in other valence-fluctuation compounds. 73 references
A Simple Model to Study Tau Pathology
Directory of Open Access Journals (Sweden)
Alexander L. Houck
2016-01-01
Full Text Available Tau proteins play a role in the stabilization of microtubules, but in pathological conditions, tauopathies, tau is modified by phosphorylation and can aggregate into aberrant aggregates. These aggregates could be toxic to cells, and different cell models have been used to test for compounds that might prevent these tau modifications. Here, we have used a cell model involving the overexpression of human tau in human embryonic kidney 293 cells. In human embryonic kidney 293 cells expressing tau in a stable manner, we have been able to replicate the phosphorylation of intracellular tau. This intracellular tau increases its own level of phosphorylation and aggregates, likely due to the regulatory effect of some growth factors on specific tau kinases such as GSK3. In these conditions, a change in secreted tau was observed. Reversal of phosphorylation and aggregation of tau was found by the use of lithium, a GSK3 inhibitor. Thus, we propose this as a simple cell model to study tau pathology in nonneuronal cells due to their viability and ease to work with.
Risk modelling study for carotid endarterectomy.
Kuhan, G; Gardiner, E D; Abidia, A F; Chetter, I C; Renwick, P M; Johnson, B F; Wilkinson, A R; McCollum, P T
2001-12-01
The aims of this study were to identify factors that influence the risk of stroke or death following carotid endarterectomy (CEA) and to develop a model to aid in comparative audit of vascular surgeons and units. A series of 839 CEAs performed by four vascular surgeons between 1992 and 1999 was analysed. Multiple logistic regression analysis was used to model the effect of 15 possible risk factors on the 30-day risk of stroke or death. Outcome was compared for four surgeons and two units after adjustment for the significant risk factors. The overall 30-day stroke or death rate was 3.9 per cent (29 of 741). Heart disease, diabetes and stroke were significant risk factors. The 30-day predicted stroke or death rates increased with increasing risk scores. The observed 30-day stroke or death rate was 3.9 per cent for both vascular units and varied from 3.0 to 4.2 per cent for the four vascular surgeons. Differences in the outcomes between the surgeons and vascular units did not reach statistical significance after risk adjustment. Diabetes, heart disease and stroke are significant risk factors for stroke or death following CEA. The risk score model identified patients at higher risk and aided in comparative audit.
A study on an optimal movement model
Energy Technology Data Exchange (ETDEWEB)
Feng Jianfeng [COGS, Sussex University, Brighton BN1 9QH, UK (United Kingdom); Zhang, Kewei [SMS, Sussex University, Brighton BN1 9QH (United Kingdom); Luo Yousong [Department of Mathematics and Statistics, RMIT University, GOP Box 2476V, Melbourne, Vic 3001 (Australia)
2003-07-11
We present an analytical and rigorous study on a TOPS (task optimization in the presence of signal-dependent noise) model with a hold-on or an end-point control. Optimal control signals are rigorously obtained, which enables us to investigate various issues about the model including its trajectories, velocities, control signals, variances and the dependence of these quantities on various model parameters. With the hold-on control, we find that the optimal control can be implemented with an almost 'nil' hold-on period. The optimal control signal is a linear combination of two sub-control signals. One of the sub-control signals is positive and the other is negative. With the end-point control, the end-point variance is dramatically reduced, in comparison with the hold-on control. However, the velocity is not symmetric (bell shape). Finally, we point out that the velocity with a hold-on control takes the bell shape only within a limited parameter region.
Model study radioecology Biblis. Vol. 1
International Nuclear Information System (INIS)
1976-01-01
The first part of the study deals with questions concerning radiation on account of the release of radioactive substances into the environment via the aquatic pathway. The discussion is preceded by a lecture on the basis for the calculations, and on a lecture on the results of primary radiological model calculations. The colloquium aims at establishing existing knowledge, at coordinating deviating opinions, and at elaborating questions still open and the possibility to deal with these. On the whole, ten questions have emerged. They are mainly concerned with site conditions. These questions will be dealt with in the form of partial studies by individual participants or by task groups. The results will be discussed at further colloquia. (orig.) [de
Animal models for HCV and HBV studies
Directory of Open Access Journals (Sweden)
Isabelle Chemin
2007-02-01
develop fulminant hepatitis, acute hepatitis, or chronic liver disease after adoptive transfer, and others spontaneously develop hepatocellular carcinoma (HCC. Among HCV transgenic mice, most develop no disease, but acute hepatitis has been observed in one model, and HCC in another. Although mice are not susceptible to HBV and HCV, their ability to replicate these viruses and to develop liver diseases characteristic of human infections provides opportunities to study pathogenesis and develop novel therapeutics In the search for the mechanism of hepatocarcinogenesis in hepatitis viral infection, two viral proteins, the core protein of hepatitis C virus (HCV and the HBx protein of hepatitis B virus (HBV, have been shown to possess oncogenic potential through transgenic mouse studies, indicating the direct involvement of the hepatitis viruses in hepatocarcinogenesis.
This may explain the very high frequency of HCC in patients with HCV or HBV infection.
Chimpanzees remain the only recognized animal model for the study of hepatitis C virus (HCV. Studies performed in chimpanzees played a critical role in the discovery of HCV and are continuing to play an essential role in defining the natural history of this important human pathogen. In the absence of a reproducible cell culture system, the infectivity titer of HCV challenge pools can be determined only in chimpanzees.
Recent studies in chimpanzees have provided new insight into the nature of host immune responses-particularly the intrahepatic responses-following primary and secondary experimental HCV infections. The immunogenicity and efficacy of vaccine candidates against HCV can be tested only in chimpanzees. Finally, it would not have been possible to demonstrate
A study on the intrusion model by physical modeling
Energy Technology Data Exchange (ETDEWEB)
Kim, Jung Yul; Kim, Yoo Sung; Hyun, Hye Ja [Korea Inst. of Geology Mining and Materials, Taejon (Korea, Republic of)
1995-12-01
In physical modeling, the actual phenomena of seismic wave propagation are directly measured like field survey and furthermore the structure and physical properties of subsurface can be known. So the measured datasets from physical modeling can be very desirable as input data to test the efficiency of various inversion algorithms. An underground structure formed by intrusion, which can be often seen in seismic section for oil exploration, is investigated by physical modeling. The model is characterized by various types of layer boundaries with steep dip angle. Therefore, this physical modeling data are very available not only to interpret seismic sections for oil exploration as a case history, but also to develop data processing techniques and estimate the capability of software such as migration, full waveform inversion. (author). 5 refs., 18 figs.
An animal model to study regenerative endodontics.
Torabinejad, Mahmoud; Corr, Robert; Buhrley, Matthew; Wright, Kenneth; Shabahang, Shahrokh
2011-02-01
A growing body of evidence is demonstrating the possibility for regeneration of tissues within the pulp space and continued root development in teeth with necrotic pulps and open apices. There are areas of research related to regenerative endodontics that need to be investigated in an animal model. The purpose of this study was to investigate ferret cuspid teeth as a model to investigate factors involved in regenerative endodontics. Six young male ferrets between the ages of 36-133 days were used in this investigation. Each animal was anesthetized and perfused with 10% buffered formalin. Block sections including the mandibular and maxillary cuspid teeth and their surrounding periapical tissues were obtained, radiographed, decalcified, sectioned, and stained with hematoxylin-eosin to determine various stages of apical closure in these teeth. The permanent mandibular and maxillary cuspid teeth with open apices erupted approximately 50 days after birth. Initial signs of closure of the apical foramen in these teeth were observed between 90-110 days. Complete apical closure was observed in the cuspid teeth when the animals were 133 days old. Based on the experiment, ferret cuspid teeth can be used to investigate various factors involved in regenerative endodontics that cannot be tested in human subjects. The most appropriate time to conduct the experiments would be when the ferrets are between the ages of 50 and 90 days. Copyright Â© 2011. Published by Elsevier Inc.
A Study Of The Internal Energy And Magnetic Spin Susceptibility Of ...
African Journals Online (AJOL)
An exact approach is re-visited in performing a comparative analysis of the attractive and repulsive 2-D Hubbard model (AHM and RHM respectively) which is used in describing a simplified 2x1 (Cu-O-Cu) lattice (known to play significant role in HTc-superconductivity in cuprates) with the use of the MATLAB. The response ...
An Exploratory Study: Assessment of Modeled Dioxin ...
EPA has released an external review draft entitled, An Exploratory Study: Assessment of Modeled Dioxin Exposure in Ceramic Art Studios(External Review Draft). The public comment period and the external peer-review workshop are separate processes that provide opportunities for all interested parties to comment on the document. In addition to consideration by EPA, all public comments submitted in accordance with this notice will also be forwarded to EPA’s contractor for the external peer-review panel prior to the workshop. EPA has realeased this draft document solely for the purpose of pre-dissemination peer review under applicable information quality guidelines. This document has not been formally disseminated by EPA. It does not represent and should not be construed to represent any Agency policy or determination. The purpose of this report is to describe an exploratory investigation of potential dioxin exposures to artists/hobbyists who use ball clay to make pottery and related products.
Ovine model for studying pulmonary immune responses
International Nuclear Information System (INIS)
Joel, D.D.; Chanana, A.D.
1984-01-01
Anatomical features of the sheep lung make it an excellent model for studying pulmonary immunity. Four specific lung segments were identified which drain exclusively to three separate lymph nodes. One of these segments, the dorsal basal segment of the right lung, is drained by the caudal mediastinal lymph node (CMLN). Cannulation of the efferent lymph duct of the CMLN along with highly localized intrabronchial instillation of antigen provides a functional unit with which to study factors involved in development of pulmonary immune responses. Following intrabronchial immunization there was an increased output of lymphoblasts and specific antibody-forming cells in efferent CMLN lymph. Continuous divergence of efferent lymph eliminated the serum antibody response but did not totally eliminate the appearance of specific antibody in fluid obtained by bronchoalveolar lavage. In these studies localized immunization of the right cranial lobe served as a control. Efferent lymphoblasts produced in response to intrabronchial antigen were labeled with 125 I-iododeoxyuridine and their migrational patterns and tissue distribution compared to lymphoblasts obtained from the thoracic duct. The results indicated that pulmonary immunoblasts tend to relocate in lung tissue and reappear with a higher specific activity in pulmonary lymph than in thoracic duct lymph. The reverse was observed with labeled intestinal lymphoblasts. 35 references, 2 figures, 3 tables
Ovine model for studying pulmonary immune responses
Energy Technology Data Exchange (ETDEWEB)
Joel, D.D.; Chanana, A.D.
1984-11-25
Anatomical features of the sheep lung make it an excellent model for studying pulmonary immunity. Four specific lung segments were identified which drain exclusively to three separate lymph nodes. One of these segments, the dorsal basal segment of the right lung, is drained by the caudal mediastinal lymph node (CMLN). Cannulation of the efferent lymph duct of the CMLN along with highly localized intrabronchial instillation of antigen provides a functional unit with which to study factors involved in development of pulmonary immune responses. Following intrabronchial immunization there was an increased output of lymphoblasts and specific antibody-forming cells in efferent CMLN lymph. Continuous divergence of efferent lymph eliminated the serum antibody response but did not totally eliminate the appearance of specific antibody in fluid obtained by bronchoalveolar lavage. In these studies localized immunization of the right cranial lobe served as a control. Efferent lymphoblasts produced in response to intrabronchial antigen were labeled with /sup 125/I-iododeoxyuridine and their migrational patterns and tissue distribution compared to lymphoblasts obtained from the thoracic duct. The results indicated that pulmonary immunoblasts tend to relocate in lung tissue and reappear with a higher specific activity in pulmonary lymph than in thoracic duct lymph. The reverse was observed with labeled intestinal lymphoblasts. 35 references, 2 figures, 3 tables.
Modelling energy utilisation in broiler breeder hens.
Rabello, C B V; Sakomura, N K; Longo, F A; Couto, H P; Pacheco, C R; Fernandes, J B K
2006-10-01
1. The objective of this study was to determine a metabolisable energy (ME) requirement model for broiler breeder hens. The influence of temperature on ME requirements for maintenance was determined in experiments conducted in three environmental rooms with temperatures kept constant at 13, 21 and 30 degrees C using a comparative slaughter technique. The energy requirements for weight gain were determined based upon body energy content and efficiency of energy utilisation for weight gain. The energy requirements for egg production were determined on the basis of egg energy content and efficiency of energy deposition in the eggs. 2. The following model was developed using these results: ME = kgW0.75(806.53-26.45T + 0.50T2) + 31.90G + 10.04EM, where kgW0.75 is body weight (kg) raised to the power 0.75, T is temperature ( degrees C), G is weight gain (g) and EM is egg mass (g). 3. A feeding trial was conducted using 400 Hubbard Hi-Yield broiler breeder hens and 40 Peterson males from 31 to 46 weeks of age in order to compare use of the model with a recommended feeding programme for this strain of bird. The application of the model in breeder hens provided good productive and reproductive performance and better results in feed and energy conversion than in hens fed according to strain recommendation. In conclusion, the model evaluated predicted an ME intake which matched breeder hens' requirements.
Study on Uncertainty and Contextual Modelling
Czech Academy of Sciences Publication Activity Database
Klimešová, Dana; Ocelíková, E.
2007-01-01
Roč. 1, č. 1 (2007), s. 12-15 ISSN 1998-0140 Institutional research plan: CEZ:AV0Z10750506 Keywords : Knowledge * contextual modelling * temporal modelling * uncertainty * knowledge management Subject RIV: BD - Theory of Information
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
Superfluid and insulating phases in an interacting-boson model: mean-field theory and the RPA
International Nuclear Information System (INIS)
Sheshadri, K.; Pandit, R.; Krishnamurthy, H.R.; Ramakrishnan, T.V.
1993-01-01
The bosonic Hubbard model is studied via a simple mean-field theory. At zero temperature, in addition to yielding a phase diagram that is qualitatively correct, namely a superfluid phase for non-integer fillings and a Mott transition from a superfluid to an insulating phase for integer fillings, this theory gives results that are in good agreement with Monte Carlo simulations. In particular, the superfluid fraction obtained as a function of the interaction strength U for both integer and non-integer fillings is close to the simulation results. In all phases the excitation spectra are obtained by using the random phase approximation (RPA): the spectrum has a gap in the insulating phase and is gapless (and linear at small wave vectors) in the superfluid phase. Analytic results are presented in the limits of large U and small superfluid density. Finite-temperature phase diagrams and the Mott-insulator-normal-phase crossover are also described. (orig.)
Biomass thermochemical gasification: Experimental studies and modeling
Kumar, Ajay
The overall goals of this research were to study the biomass thermochemical gasification using experimental and modeling techniques, and to evaluate the cost of industrial gas production and combined heat and power generation. This dissertation includes an extensive review of progresses in biomass thermochemical gasification. Product gases from biomass gasification can be converted to biopower, biofuels and chemicals. However, for its viable commercial applications, the study summarizes the technical challenges in the gasification and downstream processing of product gas. Corn stover and dried distillers grains with solubles (DDGS), a non-fermentable byproduct of ethanol production, were used as the biomass feedstocks. One of the objectives was to determine selected physical and chemical properties of corn stover related to thermochemical conversion. The parameters of the reaction kinetics for weight loss were obtained. The next objective was to investigate the effects of temperature, steam to biomass ratio and equivalence ratio on gas composition and efficiencies. DDGS gasification was performed on a lab-scale fluidized-bed gasifier with steam and air as fluidizing and oxidizing agents. Increasing the temperature resulted in increases in hydrogen and methane contents and efficiencies. A model was developed to simulate the performance of a lab-scale gasifier using Aspen Plus(TM) software. Mass balance, energy balance and minimization of Gibbs free energy were applied for the gasification to determine the product gas composition. The final objective was to optimize the process by maximizing the net energy efficiency, and to estimate the cost of industrial gas, and combined heat and power (CHP) at a biomass feedrate of 2000 kg/h. The selling price of gas was estimated to be 11.49/GJ for corn stover, and 13.08/GJ for DDGS. For CHP generation, the electrical and net efficiencies were 37 and 86%, respectively for corn stover, and 34 and 78%, respectively for DDGS. For
Mathematical modelling with case studies using Maple and Matlab
Barnes, B
2014-01-01
Introduction to Mathematical ModelingMathematical models An overview of the book Some modeling approaches Modeling for decision makingCompartmental Models Introduction Exponential decay and radioactivity Case study: detecting art forgeries Case study: Pacific rats colonize New Zealand Lake pollution models Case study: Lake Burley Griffin Drug assimilation into the blood Case study: dull, dizzy, or dead? Cascades of compartments First-order linear DEs Equilibrium points and stability Case study: money, money, money makes the world go aroundModels of Single PopulationsExponential growth Density-
Comparative study of void fraction models
International Nuclear Information System (INIS)
Borges, R.C.; Freitas, R.L.
1985-01-01
Some models for the calculation of void fraction in water in sub-cooled boiling and saturated vertical upward flow with forced convection have been selected and compared with experimental results in the pressure range of 1 to 150 bar. In order to know the void fraction axial distribution it is necessary to determine the net generation of vapour and the fluid temperature distribution in the slightly sub-cooled boiling region. It was verified that the net generation of vapour was well represented by the Saha-Zuber model. The selected models for the void fraction calculation present adequate results but with a tendency to super-estimate the experimental results, in particular the homogeneous models. The drift flux model is recommended, followed by the Armand and Smith models. (F.E.) [pt
Study of dissolution process and its modelling
Directory of Open Access Journals (Sweden)
Juan Carlos Beltran-Prieto
2017-01-01
Full Text Available The use of mathematical concepts and language aiming to describe and represent the interactions and dynamics of a system is known as a mathematical model. Mathematical modelling finds a huge number of successful applications in a vast amount of science, social and engineering fields, including biology, chemistry, physics, computer sciences, artificial intelligence, bioengineering, finance, economy and others. In this research, we aim to propose a mathematical model that predicts the dissolution of a solid material immersed in a fluid. The developed model can be used to evaluate the rate of mass transfer and the mass transfer coefficient. Further research is expected to be carried out to use the model as a base to develop useful models for the pharmaceutical industry to gain information about the dissolution of medicaments in the body stream and this could play a key role in formulation of medicaments.
Bariatric Outcomes and Obesity Modeling: Study Meeting
2010-09-17
Washington Headquarters Services, Directorate for Information Operations and Reports (0704-0188), 1215 Jefferson Davis Highway, Suite 1204, Arlington, VA...developed a cost-effectiveness model and a payer-based budget and fiscal impact tool to compare bariatric surgical procedures to non- operative ...SURVIVAL MODELED FROM NHIS -NDI • Statistical analysis adapts the methods from Schauer 2010. • Logistic regression model is used to predict the 5-year
Model boiler studies on deposition and corrosion
International Nuclear Information System (INIS)
Balakrishnan, P.V.; McVey, E.G.
1977-09-01
Deposit formation was studied in a model boiler, with sea-water injections to simulate the in-leakage which could occur from sea-water cooled condensers. When All Volatile Treatment (AVT) was used for chemistry control the deposits consisted of the sea-water salts and corrosion products. With sodium phosphate added to the boiler water, the deposits also contained the phosphates derived from the sea-water salts. The deposits were formed in layers of differing compositions. There was no significant corrosion of the Fe-Ni-Cr alloy boiler tube under deposits, either on the open area of the tube or in crevices. However, carbon steel that formed a crevice around the tube was corroded severely when the boiler water did not contain phosphate. The observed corrosion of carbon steel was caused by the presence of acidic, highly concentrated chloride solution produced from the sea-water within the crevice. Results of theoretical calculations of the composition of the concentrated solution are presented. (author)
Bayesian graphical models for genomewide association studies.
Verzilli, Claudio J; Stallard, Nigel; Whittaker, John C
2006-07-01
As the extent of human genetic variation becomes more fully characterized, the research community is faced with the challenging task of using this information to dissect the heritable components of complex traits. Genomewide association studies offer great promise in this respect, but their analysis poses formidable difficulties. In this article, we describe a computationally efficient approach to mining genotype-phenotype associations that scales to the size of the data sets currently being collected in such studies. We use discrete graphical models as a data-mining tool, searching for single- or multilocus patterns of association around a causative site. The approach is fully Bayesian, allowing us to incorporate prior knowledge on the spatial dependencies around each marker due to linkage disequilibrium, which reduces considerably the number of possible graphical structures. A Markov chain-Monte Carlo scheme is developed that yields samples from the posterior distribution of graphs conditional on the data from which probabilistic statements about the strength of any genotype-phenotype association can be made. Using data simulated under scenarios that vary in marker density, genotype relative risk of a causative allele, and mode of inheritance, we show that the proposed approach has better localization properties and leads to lower false-positive rates than do single-locus analyses. Finally, we present an application of our method to a quasi-synthetic data set in which data from the CYP2D6 region are embedded within simulated data on 100K single-nucleotide polymorphisms. Analysis is quick (<5 min), and we are able to localize the causative site to a very short interval.
Theoretical studies of Anderson impurity models
International Nuclear Information System (INIS)
Glossop, M.T.
2000-01-01
A Local Moment Approach (LMA) is developed for single-particle excitations of a symmetric single impurity Anderson model (SIAM) with a soft-gap hybridization vanishing at the Fermi level, Δ I ∝ vertical bar W vertical bar r with r > 0, and for the generic asymmetric case of the 'normal' (r = 0) SIAM. In all cases we work within a two-self-energy description with local moments introduced explicitly from the outset, and in which single-particle excitations are coupled dynamically to low-energy transverse spin fluctuations. For the soft-gap symmetric SIAM, the resultant theory is applicable on all energy scales, and captures both the spin-fluctuation regime of strong coupling (large-U), as well as the weak coupling regime where it is perturbatively exact for those r-domains in which perturbation theory in U is non-singular. While the primary emphasis is on single-particle dynamics, the quantum phase transition between strong coupling (SC) and local moment (LM) phases can also be addressed directly; for the spin-fluctuation regime in particular a number of asymptotically exact results are thereby obtained, notably for the behaviour of the critical U c (r) separating SC/LM states and the Kondo scale w m (r) characteristic of the SC phase. Results for both single-particle spectra and SG/LM phase boundaries are found to agree well with recent numerical renormalization group (NRG) studies; and a number of further testable predictions are made. Single-particle spectra are examined systematically for both SC and LM states; in particular, for all 0 ≤ r 0 SC phase which, in agreement with conclusions drawn from recent NRG work, may be viewed as a non-trivial but natural generalization of Fermi liquid physics. We also reinvestigate the problem via the NRG in light of the predictions arising from the LMA: all are borne out and excellent agreement is found. For the asymmetric single impurity Anderson model (ASIAM) we establish general conditions which must be satisfied
Theoretical study on optical model potential
International Nuclear Information System (INIS)
Lim Hung Gi.
1984-08-01
The optical model potential of non-local effect on the rounded edge of the potential is derived. On the basis of this potential the functional form of the optical model potential, the energy dependence and relationship of its parameters, and the dependency of the values of the parameters on energy change are shown in this paper. (author)
Clinton River Sediment Transport Modeling Study
The U.S. ACE develops sediment transport models for tributaries to the Great Lakes that discharge to AOCs. The models developed help State and local agencies to evaluate better ways for soil conservation and non-point source pollution prevention.
Case studies in archaeological predictive modelling
Verhagen, Jacobus Wilhelmus Hermanus Philippus
2007-01-01
In this thesis, a collection of papers is put together dealing with various quantitative aspects of predictive modelling and archaeological prospection. Among the issues covered are the effects of survey bias on the archaeological data used for predictive modelling, and the complexities of testing
Glistening-region model for multipath studies
Groves, Gordon W.; Chow, Winston C.
1998-07-01
The goal is to achieve a model of radar sea reflection with improved fidelity that is amenable to practical implementation. The geometry of reflection from a wavy surface is formulated. The sea surface is divided into two components: the smooth `chop' consisting of the longer wavelengths, and the `roughness' of the short wavelengths. Ordinary geometric reflection from the chop surface is broadened by the roughness. This same representation serves both for forward scatter and backscatter (sea clutter). The `Road-to-Happiness' approximation, in which the mean sea surface is assumed cylindrical, simplifies the reflection geometry for low-elevation targets. The effect of surface roughness is assumed to make the sea reflection coefficient depending on the `Deviation Angle' between the specular and the scattering directions. The `specular' direction is that into which energy would be reflected by a perfectly smooth facet. Assuming that the ocean waves are linear and random allows use of Gaussian statistics, greatly simplifying the formulation by allowing representation of the sea chop by three parameters. An approximation of `low waves' and retention of the sea-chop slope components only through second order provides further simplification. The simplifying assumptions make it possible to take the predicted 2D ocean wave spectrum into account in the calculation of sea-surface radar reflectivity, to provide algorithms for support of an operational system for dealing with target tracking in the presence of multipath. The product will be of use in simulated studies to evaluate different trade-offs in alternative tracking schemes, and will form the basis of a tactical system for ship defense against low flyers.
Study on Standard Fatigue Vehicle Load Model
Huang, H. Y.; Zhang, J. P.; Li, Y. H.
2018-02-01
Based on the measured data of truck from three artery expressways in Guangdong Province, the statistical analysis of truck weight was conducted according to axle number. The standard fatigue vehicle model applied to industrial areas in the middle and late was obtained, which adopted equivalence damage principle, Miner linear accumulation law, water discharge method and damage ratio theory. Compared with the fatigue vehicle model Specified by the current bridge design code, the proposed model has better applicability. It is of certain reference value for the fatigue design of bridge in China.
Amorphous track models: a numerical comparison study
DEFF Research Database (Denmark)
Greilich, Steffen; Grzanka, Leszek; Hahn, Ute
in carbon ion treatment at the particle facility HIT in Heidelberg. Apparent differences between the LEM and the Katz model are the way how interactions of individual particle tracks and how extended targets are handled. Complex scenarios, however, can mask the actual effect of these differences. Here, we......Amorphous track models such as Katz' Ion-Gamma-Kill (IGK) approach [1, 2] or the Local Effect Model (LEM) [3, 4] had reasonable success in predicting the response of solid state dosimeters and radiobiological systems. LEM is currently applied in radiotherapy for biological dose optimization...
Pulse radiolysis studies of model membranes
International Nuclear Information System (INIS)
Heijman, M.G.J.
1984-01-01
In this thesis the influence of the structure of membranes on the processes in cell membranes were examined. Different models of the membranes were evaluated. Pulse radiolysis was used as the technique to examine the membranes. (R.B.)
Lower Monumental Spillway Hydraulic Model Study
National Research Council Canada - National Science Library
Wilhelms, Steven
2003-01-01
A 1:40 Froudian Scale model was used to investigate the hydraulic performance of the Lower Monumental Dam spillway, stilling basin, and tailrace for dissolved gas reduction and stilling basin apron scour...
А mathematical model study of suspended monorail
Viktor GUTAREVYCH
2012-01-01
The mathematical model of suspended monorail track with allowance for elastic strain which occurs during movement of the monorail carriage was developed. Standard forms for single span and double span of suspended monorail sections were established.
А mathematical model study of suspended monorail
Directory of Open Access Journals (Sweden)
Viktor GUTAREVYCH
2012-01-01
Full Text Available The mathematical model of suspended monorail track with allowance for elastic strain which occurs during movement of the monorail carriage was developed. Standard forms for single span and double span of suspended monorail sections were established.
STRESS RESPONSE STUDIES USING ANIMAL MODELS
This presentation will provide the evidence that ozone exposure in animal models induce neuroendocrine stress response and this stress response modulates lung injury and inflammation through adrenergic and glucocorticoid receptors.
Neuronal Models for Studying Tau Pathology
Directory of Open Access Journals (Sweden)
Thorsten Koechling
2010-01-01
Full Text Available Alzheimer's disease (AD is the most frequent neurodegenerative disorder leading to dementia in the aged human population. It is characterized by the presence of two main pathological hallmarks in the brain: senile plaques containing -amyloid peptide and neurofibrillary tangles (NFTs, consisting of fibrillar polymers of abnormally phosphorylated tau protein. Both of these histological characteristics of the disease have been simulated in genetically modified animals, which today include numerous mouse, fish, worm, and fly models of AD. The objective of this review is to present some of the main animal models that exist for reproducing symptoms of the disorder and their advantages and shortcomings as suitable models of the pathological processes. Moreover, we will discuss the results and conclusions which have been drawn from the use of these models so far and their contribution to the development of therapeutic applications for AD.
Hayami, Satoru; Kusunose, Hiroaki; Motome, Yukitoshi
2018-05-01
We investigate a two-orbital Hubbard model on a honeycomb structure, with a special focus on the antisymmetric spin-orbit coupling (ASOC) induced by symmetry breaking in the electronic degrees of freedom. By investigating the ground-state phase diagram by the mean-field approximation in addition to the analysis in the strong correlation limit, we obtain a variety of symmetry-broken phases that induce different types of effective ASOCs by breaking of spatial inversion symmetry. We find several unusual properties emergent from the ASOCs, such as a linear magnetoelectric effect in a spin-orbital ordered phase at 1/4 filling and a spin splitting in the band structure in charge ordered phases at 1/4 and 1/2 fillings. We also show that a staggered potential on the honeycomb structure leads to another type of ASOC, which gives rise to a valley splitting in the band structure at 1/2 filling. We discuss the experimental relevance of our results to candidate materials including transition metal dichalcogenides and trichalcogenides.
Dirr, H W; Schabort, J C; Weitz, C
1986-02-01
Cucurbitacin delta 23-reductase from Cucurbita maxima var. Green Hubbard fruit displays an apparent Mr of 32,000, a Stokes radius of 263 nm and a diffusion coefficient of 8.93 X 10(-7) cm2 X s-1. The enzyme appears to possess a homogeneous dimeric quaternary structure with a subunit Mr of 15,000. Two tryptophan and fourteen tyrosine residues per dimer were found. Emission spectral properties of the enzyme and fluorescence quenching by iodide indicate the tryptophan residues to be buried within the protein molecule. In the pH range 5-7, where no conformational changes were detected, protonation of a sterically related ionizable group with a pK of approx. 6.0 markedly influenced the fluorescence of the tryptophan residues. Protein fluorescence quenching was employed to determine the dissociation constants for binding of NADPH (Kd 17 microM), NADP+ (Kd 30 microM) and elaterinide (Kd 227 microM). Fluorescence energy transfer between the tryptophan residues and enzyme-bound NADPH was observed.
A micromagnetic study of domain structure modeling
International Nuclear Information System (INIS)
Matsuo, Tetsuji; Mimuro, Naoki; Shimasaki, Masaaki
2008-01-01
To develop a mesoscopic model for magnetic-domain behavior, a domain structure model (DSM) was examined and compared with a micromagnetic simulation. The domain structure of this model is given by several domains with uniform magnetization vectors and domain walls. The directions of magnetization vectors and the locations of domain walls are determined so as to minimize the magnetic total energy of the magnetic material. The DSM was modified to improve its representation capability for domain behavior. The domain wall energy is multiplied by a vanishing factor to represent the disappearance of magnetic domain. The sequential quadratic programming procedure is divided into two steps to improve an energy minimization process. A comparison with micromagnetic simulation shows that the modified DSM improves the representation accuracy of the magnetization process
Geomagnetic field models for satellite angular motion studies
Ovchinnikov, M. Yu.; Penkov, V. I.; Roldugin, D. S.; Pichuzhkina, A. V.
2018-03-01
Four geomagnetic field models are discussed: IGRF, inclined, direct and simplified dipoles. Geomagnetic induction vector expressions are provided in different reference frames. Induction vector behavior is compared for different models. Models applicability for the analysis of satellite motion is studied from theoretical and engineering perspectives. Relevant satellite dynamics analysis cases using analytical and numerical techniques are provided. These cases demonstrate the benefit of a certain model for a specific dynamics study. Recommendations for models usage are summarized in the end.
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.)
Nurfaizal, Yusmedi
2015-01-01
Penelitian ini berjudul “MODEL SERVQUAL DENGAN PENDEKATAN STRUCTURAL EQUATION MODELING (Studi Pada Mahasiswa Sistem Informasi)”. Tujuan penelitian ini adalah untuk mengetahui model Servqual dengan pendekatan Structural Equation Modeling pada mahasiswa sistem informasi. Peneliti memutuskan untuk mengambil sampel sebanyak 100 responden. Untuk menguji model digunakan analisis SEM. Hasil penelitian menunjukkan bahwa tangibility, reliability responsiveness, assurance dan emphaty mempunyai pengaruh...
Study on geo-information modelling
Czech Academy of Sciences Publication Activity Database
Klimešová, Dana
2006-01-01
Roč. 5, č. 5 (2006), s. 1108-1113 ISSN 1109-2777 Institutional research plan: CEZ:AV0Z10750506 Keywords : control GIS * geo-information modelling * uncertainty * spatial temporal approach Web Services Subject RIV: BC - Control Systems Theory
Studies on chemoviscosity modeling for thermosetting resins
Bai, J. M.; Hou, T. H.; Tiwari, S. N.
1987-01-01
A new analytical model for simulating chemoviscosity of thermosetting resins has been formulated. The model is developed by modifying the well-established Williams-Landel-Ferry (WLF) theory in polymer rheology for thermoplastic materials. By introducing a relationship between the glass transition temperature Tg(t) and the degree of cure alpha(t) of the resin system under cure, the WLF theory can be modified to account for the factor of reaction time. Temperature dependent functions of the modified WLF theory constants C sub 1 (t) and C sub 2 (t) were determined from the isothermal cure data. Theoretical predictions of the model for the resin under dynamic heating cure cycles were shown to compare favorably with the experimental data. This work represents progress toward establishing a chemoviscosity model which is capable of not only describing viscosity profiles accurately under various cure cycles, but also correlating viscosity data to the changes of physical properties associated with the structural transformation of the thermosetting resin systems during cure.
A Study of Simple Diffraction Models
DEFF Research Database (Denmark)
Agerkvist, Finn
1997-01-01
Three different models for calculating edge diffraction are examined. The methods of Vanderkooy, Terai and Biot & Tolstoy are compared with measurements. Although a good agreement is obtained, the measurements also show that none of the methods work completely satisfactorily. The desired properties...
Preliminary report on electromagnetic model studies
Frischknecht, F.C.; Mangan, G.B.
1960-01-01
More than 70 resopnse curves for various models have been obtained using the slingram and turam electromagnetic methods. Results show that for the slingram method, horizontal co-planar coils are usually more sensitive than vertical, co-axial or vertical, co-planar coils. The shape of the anomaly usually is simpler for the vertical coils.
Animal models to study plaque vulnerability
Schapira, K.; Heeneman, S.; Daemen, M. J. A. P.
2007-01-01
The need to identify and characterize vulnerable atherosclerotic lesions in humans has lead to the development of various animal models of plaque vulnerability. In this review, current concepts of the vulnerable plaque as it leads to an acute coronary event are described, such as plaque rupture,
Advanced language modeling approaches, case study: Expert search
Hiemstra, Djoerd
2008-01-01
This tutorial gives a clear and detailed overview of advanced language modeling approaches and tools, including the use of document priors, translation models, relevance models, parsimonious models and expectation maximization training. Expert search will be used as a case study to explain the
Study on developing energy-macro model
Energy Technology Data Exchange (ETDEWEB)
Kim, Young Duk [Korea Energy Economics Institute, Euiwang (Kenya)
1999-12-01
It analyzed the effect of international oil price on domestic economy and its path, time difference and degree of effect. First of all, it analyzed whether the long-term relationship between international oil price and price exists focusing on integral relationship, and estimated dynamic price fluctuation by using error correction model. Moreover, using structural VAR model, it analyzed what kind of shocking reactions are showed when the increase of international oil price affects on domestic macro economic variables. Commonly it is estimated that price is increasing in a long term not in a short term as the international oil price is increasing. When the international oil price increases, it is estimated that its effect in a short term is insignificant because of direct price control by the government and then its spreading effect on economy shows a long-term effect by deepening the price control. (author). 16 refs., 3 figs., 10 tabs.
Study on modeling of operator's learning mechanism
International Nuclear Information System (INIS)
Yoshimura, Seichi; Hasegawa, Naoko
1998-01-01
One effective method to analyze the causes of human errors is to model the behavior of human and to simulate it. The Central Research Institute of Electric Power Industry (CRIEPI) has developed an operator team behavior simulation system called SYBORG (Simulation System for the Behavior of an Operating Group) to analyze the human errors and to establish the countermeasures for them. As an operator behavior model which composes SYBORG has no learning mechanism and the knowledge of a plant is fixed, it cannot take suitable actions when unknown situations occur nor learn anything from the experience. However, considering actual operators, learning is an essential human factor to enhance their abilities to diagnose plant anomalies. In this paper, Q learning with 1/f fluctuation was proposed as a learning mechanism of an operator and simulation using the mechanism was conducted. The results showed the effectiveness of the learning mechanism. (author)
Contaminant transport modeling studies of Russian sites
International Nuclear Information System (INIS)
Tsang, Chin-Fu
1993-01-01
Lawrence Berkeley Laboratory (LBL) established mechanisms that promoted cooperation between U.S. and Russian scientists in scientific research as well as environmental technology transfer. Using Russian experience and U.S technology, LBL developed approaches for field investigations, site evaluation, waste disposal, and remediation at Russian contaminated sites. LBL assessed a comprehensive database as well as an actual, large-scale contaminated site to evaluate existing knowledge of and test mathematical models used for the assessment of U.S. contaminated sites
Superconductivity in Correlated Fermions System | Babalola ...
African Journals Online (AJOL)
We have studied the Hubbard model which is a model that is used to describe the physics of strongly correlated Fermions systems. Using the Hubbard model, we worked on some systems in one dimension (1-D) at half fillings. We employed the numerical exact diagonalization technique and found out that there was a ...
Auditing predictive models : a case study in crop growth
Metselaar, K.
1999-01-01
Methods were developed to assess and quantify the predictive quality of simulation models, with the intent to contribute to evaluation of model studies by non-scientists. In a case study, two models of different complexity, LINTUL and SUCROS87, were used to predict yield of forage maize
Computerised modelling for developmental biology : an exploration with case studies
Bertens, Laura M.F.
2012-01-01
Many studies in developmental biology rely on the construction and analysis of models. This research presents a broad view of modelling approaches for developmental biology, with a focus on computational methods. An overview of modelling techniques is given, followed by several case studies. Using
A Comparative Study Of Stock Price Forecasting Using Nonlinear Models
Directory of Open Access Journals (Sweden)
Diteboho Xaba
2017-03-01
Full Text Available This study compared the in-sample forecasting accuracy of three forecasting nonlinear models namely: the Smooth Transition Regression (STR model, the Threshold Autoregressive (TAR model and the Markov-switching Autoregressive (MS-AR model. Nonlinearity tests were used to confirm the validity of the assumptions of the study. The study used model selection criteria, SBC to select the optimal lag order and for the selection of appropriate models. The Mean Square Error (MSE, Mean Absolute Error (MAE and Root Mean Square Error (RMSE served as the error measures in evaluating the forecasting ability of the models. The MS-AR models proved to perform well with lower error measures as compared to LSTR and TAR models in most cases.
Nugrahani, F.; Jazaldi, F.; Noerhadi, N. A. I.
2017-08-01
The field of orthodontics is always evolving,and this includes the use of innovative technology. One type of orthodontic technology is the development of three-dimensional (3D) digital study models that replace conventional study models made by stone. This study aims to compare the mesio-distal teeth width, intercanine width, and intermolar width measurements between a 3D digital study model and a conventional study model. Twelve sets of upper arch dental impressions were taken from subjects with non-crowding teeth. The impressions were taken twice, once with alginate and once with polivinylsiloxane. The alginate impressions used in the conventional study model and the polivinylsiloxane impressions were scanned to obtain the 3D digital study model. Scanning was performed using a laser triangulation scanner device assembled by the School of Electrical Engineering and Informatics at the Institut Teknologi Bandung and David Laser Scan software. For the conventional model, themesio-distal width, intercanine width, and intermolar width were measured using digital calipers; in the 3D digital study model they were measured using software. There were no significant differences between the mesio-distal width, intercanine width, and intermolar width measurments between the conventional and 3D digital study models (p>0.05). Thus, measurements using 3D digital study models are as accurate as those obtained from conventional study models
Digital Forensic Investigation Models, an Evolution study
Directory of Open Access Journals (Sweden)
Khuram Mushtaque
2015-10-01
Full Text Available In business today, one of the most important segments that enable any business to get competitive advantage over others is appropriate, effective adaptation of Information Technology into business and then managing and governing it on their will. To govern IT organizations need to identify value of acquiring services of forensic firms to compete cyber criminals. Digital forensic firms follow different mechanisms to perform investigation. Time by time forensic firms are facilitated with different models for investigation containing phases for different purposes of the entire process. Along with forensic firms, enterprises also need to build a secure and supportive platform to make successful investigation process possible. We have underlined different elements of organizations in Pakistan; need to be addressed to provide support to forensic firms.
Studies and modeling of cold neutron sources
International Nuclear Information System (INIS)
Campioni, G.
2004-11-01
With the purpose of updating knowledge in the fields of cold neutron sources, the work of this thesis has been run according to the 3 following axes. First, the gathering of specific information forming the materials of this work. This set of knowledge covers the following fields: cold neutron, cross-sections for the different cold moderators, flux slowing down, different measurements of the cold flux and finally, issues in the thermal analysis of the problem. Secondly, the study and development of suitable computation tools. After an analysis of the problem, several tools have been planed, implemented and tested in the 3-dimensional radiation transport code Tripoli-4. In particular, a module of uncoupling, integrated in the official version of Tripoli-4, can perform Monte-Carlo parametric studies with a spare factor of Cpu time fetching 50 times. A module of coupling, simulating neutron guides, has also been developed and implemented in the Monte-Carlo code McStas. Thirdly, achieving a complete study for the validation of the installed calculation chain. These studies focus on 3 cold sources currently functioning: SP1 from Orphee reactor and 2 other sources (SFH and SFV) from the HFR at the Laue Langevin Institute. These studies give examples of problems and methods for the design of future cold sources
A model system for DNA repair studies
International Nuclear Information System (INIS)
Lange, C.S.; Perlmutter, E.
1984-01-01
The search for the ''lethal lesion:'' which would yield a molecular explanation of biological survival curves led to attempts to correlate unrepaired DNA lesions with loss of reproductive integrity. Such studies have shown the crucial importance of DNA repair systems. The unrepaired DSB has been sought for such correlation, but in such study the DNA was too large, polydisperse, and/or structurally complex to permit precise measurement of break induction and repair. Therefore, an analog of higher order systems but with a genome of readily measurable size, is needed. Bacteriophage T4 is such an analog. Both its biological (PFU) and molecular (DNA) survival curves are exponentials. Its aerobic /sub PFU/D/sub 37///sub DNA/D/sub 37/ ratio, (410 +- 4.5Gy/540 +- 25 Gy) indicates that 76 +- 4% of lethality at low multiplicity infection (moi 1) the survival is greater than can be explained if the assumption of no parental DSB repair were valid. Both T4 and its host have DSB repair systems which can be studied by the infectious center method. Results of such studies are discussed
Alternative Middle School Models: An Exploratory Study
Duffield, Stacy Kay
2018-01-01
A Midwestern state allocated grant funding to encourage more accessible alternative programming at the middle level. Seventeen schools were approved for this grant and used the funds to supplement the operation of a new or existing program. This study provides policymakers and educators with an overview of the various types of alternative middle…
Flow model study of 'Monju' reactor vessel
International Nuclear Information System (INIS)
Miyaguchi, Kimihide
1980-01-01
In the case of designing the structures in nuclear reactors, various problems to be considered regarding thermo-hydrodynamics exist, such as the distribution of flow quantity and the pressure loss in reactors and the thermal shock to inlet and outlet nozzles. In order to grasp the flow characteristics of coolant in reactors, the 1/2 scale model of the reactor structure of ''Monju'' was attached to the water flow testing facility in the Oarai Engineering Center, and the simulation experiment has been carried out. The flow characteristics in reactors clarified by experiment and analysis so far are the distribution of flow quantity between high and low pressure regions in reactors, the distribution of flow quantity among flow zones in respective regions of high and low pressure, the pressure loss in respective parts in reactors, the flow pattern and the mixing effect of coolant in upper and lower plenums, the effect of the twisting angle of inlet nozzles on the flow characteristics in lower plenums, the effect of internal cylinders on the flow characteristics in upper plenums and so on. On the basis of these test results, the improvement of the design of structures in reactors was made, and the confirmation test on the improved structures was carried out. The testing method, the calculation method, the test results and the reflection to the design of actual machines are described. (Kako, I.)
Theory, modeling, and integrated studies in the Arase (ERG) project
Seki, Kanako; Miyoshi, Yoshizumi; Ebihara, Yusuke; Katoh, Yuto; Amano, Takanobu; Saito, Shinji; Shoji, Masafumi; Nakamizo, Aoi; Keika, Kunihiro; Hori, Tomoaki; Nakano, Shin'ya; Watanabe, Shigeto; Kamiya, Kei; Takahashi, Naoko; Omura, Yoshiharu; Nose, Masahito; Fok, Mei-Ching; Tanaka, Takashi; Ieda, Akimasa; Yoshikawa, Akimasa
2018-02-01
Understanding of underlying mechanisms of drastic variations of the near-Earth space (geospace) is one of the current focuses of the magnetospheric physics. The science target of the geospace research project Exploration of energization and Radiation in Geospace (ERG) is to understand the geospace variations with a focus on the relativistic electron acceleration and loss processes. In order to achieve the goal, the ERG project consists of the three parts: the Arase (ERG) satellite, ground-based observations, and theory/modeling/integrated studies. The role of theory/modeling/integrated studies part is to promote relevant theoretical and simulation studies as well as integrated data analysis to combine different kinds of observations and modeling. Here we provide technical reports on simulation and empirical models related to the ERG project together with their roles in the integrated studies of dynamic geospace variations. The simulation and empirical models covered include the radial diffusion model of the radiation belt electrons, GEMSIS-RB and RBW models, CIMI model with global MHD simulation REPPU, GEMSIS-RC model, plasmasphere thermosphere model, self-consistent wave-particle interaction simulations (electron hybrid code and ion hybrid code), the ionospheric electric potential (GEMSIS-POT) model, and SuperDARN electric field models with data assimilation. ERG (Arase) science center tools to support integrated studies with various kinds of data are also briefly introduced.[Figure not available: see fulltext.
Mathematical Modelling Research in Turkey: A Content Analysis Study
Çelik, H. Coskun
2017-01-01
The aim of the present study was to examine the mathematical modelling studies done between 2004 and 2015 in Turkey and to reveal their tendencies. Forty-nine studies were selected using purposeful sampling based on the term, "mathematical modelling" with Higher Education Academic Search Engine. They were analyzed with content analysis.…
Fostering Transfer of Study Strategies: A Spiral Model.
Davis, Denise M.; Clery, Carolsue
1994-01-01
Describes the design and implementation of a Spiral Model for the introduction and repeated practice of study strategies, based on Taba's model for social studies. In a college reading and studies strategies course, key strategies were introduced early and used through several sets of humanities and social and physical sciences readings. (Contains…
Bayesian Graphical Models for Genomewide Association Studies
Verzilli, Claudio J.; Stallard, Nigel; Whittaker, John C.
2006-01-01
As the extent of human genetic variation becomes more fully characterized, the research community is faced with the challenging task of using this information to dissect the heritable components of complex traits. Genomewide association studies offer great promise in this respect, but their analysis poses formidable difficulties. In this article, we describe a computationally efficient approach to mining genotype-phenotype associations that scales to the size of the data sets currently being ...
[Statistical modeling studies of turbulent reacting flows
International Nuclear Information System (INIS)
Dwyer, H.A.
1987-01-01
This paper discusses the study of turbulent wall shear flows, and we feel that this problem is both more difficult and a better challenge for the new methods we are developing. Turbulent wall flows have a wide variety of length and time scales which interact with the transport processes to produce very large fluxes of mass, heat, and momentum. At the present time we have completed the first calculation of a wall diffusion flame, and we have begun a velocity PDF calculation for the flat plate boundary layer. A summary of the various activities is contained in this report
Physical Model Method for Seismic Study of Concrete Dams
Directory of Open Access Journals (Sweden)
Bogdan Roşca
2008-01-01
Full Text Available The study of the dynamic behaviour of concrete dams by means of the physical model method is very useful to understand the failure mechanism of these structures to action of the strong earthquakes. Physical model method consists in two main processes. Firstly, a study model must be designed by a physical modeling process using the dynamic modeling theory. The result is a equations system of dimensioning the physical model. After the construction and instrumentation of the scale physical model a structural analysis based on experimental means is performed. The experimental results are gathered and are available to be analysed. Depending on the aim of the research may be designed an elastic or a failure physical model. The requirements for the elastic model construction are easier to accomplish in contrast with those required for a failure model, but the obtained results provide narrow information. In order to study the behaviour of concrete dams to strong seismic action is required the employment of failure physical models able to simulate accurately the possible opening of joint, sliding between concrete blocks and the cracking of concrete. The design relations for both elastic and failure physical models are based on dimensional analysis and consist of similitude relations among the physical quantities involved in the phenomenon. The using of physical models of great or medium dimensions as well as its instrumentation creates great advantages, but this operation involves a large amount of financial, logistic and time resources.
System Dynamic Modelling for a Balanced Scorecard: A Case Study
DEFF Research Database (Denmark)
Nielsen, Steen; Nielsen, Erland Hejn
Purpose - The purpose of this research is to make an analytical model of the BSC foundation by using a dynamic simulation approach for a 'hypothetical case' model, based on only part of an actual case study of BSC. Design/methodology/approach - The model includes five perspectives and a number...
Salt intrusion study in Cochin estuary - Using empirical models
Digital Repository Service at National Institute of Oceanography (India)
Jacob, B.; Revichandran, C.; NaveenKumar, K.R.
been applied to the Cochin estuary in the present study to identify the most suitable model for predicting the salt intrusion length. Comparison of the obtained results indicate that the model of Van der Burgh (1972) is the most suitable empirical model...
Adolescents Family Models : A Cross-Cultural Study
Mayer, Boris
2009-01-01
This study explores and compares the family models of adolescents across ten cultures using a typological and multilevel approach. Thereby, it aims to empirically contribute to Kagitcibasi s (2007) theory of family change. This theory postulates the existence of three ideal-typical family models across cultures: a family model of independence prevailing in Western societies, a family model of (total) interdependence prevailing in non-industrialized agrarian cultures, and as a synthesis of the...
Conducting field studies for testing pesticide leaching models
Smith, Charles N.; Parrish, Rudolph S.; Brown, David S.
1990-01-01
A variety of predictive models are being applied to evaluate the transport and transformation of pesticides in the environment. These include well known models such as the Pesticide Root Zone Model (PRZM), the Risk of Unsaturated-Saturated Transport and Transformation Interactions for Chemical Concentrations Model (RUSTIC) and the Groundwater Loading Effects of Agricultural Management Systems Model (GLEAMS). The potentially large impacts of using these models as tools for developing pesticide management strategies and regulatory decisions necessitates development of sound model validation protocols. This paper offers guidance on many of the theoretical and practical problems encountered in the design and implementation of field-scale model validation studies. Recommendations are provided for site selection and characterization, test compound selection, data needs, measurement techniques, statistical design considerations and sampling techniques. A strategy is provided for quantitatively testing models using field measurements.
Pulse radiolysis studies in model lipid systems
International Nuclear Information System (INIS)
Patterson, L.K.; Hasegawa, K.
1978-01-01
The kinetic and spectral behavior of radicals formed by hydroxyl radical attack on linoleate anions has been studied by pulse radiolysis. Reactivity of OH toward this surfactant is an order of magnitude greater in monomeric form (kOH + linoleate = 8.0 x 10 9 M -1 sec -1 ) than in mecellar form (kOH + lin(micelle) = 1.0 x 10 9 M -1 sec -1 ). Abstraction of a hydrogen atom from the doubly allylic position gives rise to an intense absorption in the UV region (lambda max = 282-286 nm, epsilon approximately 3 x 10 4 M -1 cm -1 ) which may be used as a probe of radical activity at that site. This abstraction may occur, to a small extent, directly via OH attack. However, greater than 90% of initial attack occurs at other sites. Subsequent secondary abstraction of doubly allylic H atoms appears to occur predominantly by: (1) intramolecular processes in monomers, (2) intermolecular processes in micelles. Disappearance of radicals by secondary processes is slower in the micellar pseudo phase than in monomeric solution. (orig.) 891 HK 892 KR [de
Mobile radio alternative systems study traffic model
Tucker, W. T.; Anderson, R. E.
1983-06-01
The markets for mobile radio services in non-urban areas of the United States are examined for the years 1985-2000. Three market categories are identified. New Services are defined as those for which there are different expressed ideas but which are not now met by any application of available technology. The complete fulfillment of the needs requires nationwide radio access to vehicles without knowledge of vehicle location, wideband data transmission from remote sites, one- and two way exchange of short data and control messages between vehicles and dispatch or control centers, and automatic vehicle location (surveillance). The commercial and public services market of interest to the study is drawn from existing users of mobile radio in non-urban areas who are dissatisfied with the geographical range or coverage of their systems. The mobile radio telephone market comprises potential users who require access to the public switched telephone network in areas that are not likely to be served by the traditional growth patterns of terrestrial mobile telephone services. Conservative, likely, and optimistic estimates of the markets are presented in terms of numbers of vehicles that will be served and the radio traffic they will generate.
Process modeling for the Integrated Nonthermal Treatment System (INTS) study
Energy Technology Data Exchange (ETDEWEB)
Brown, B.W.
1997-04-01
This report describes the process modeling done in support of the Integrated Nonthermal Treatment System (INTS) study. This study was performed to supplement the Integrated Thermal Treatment System (ITTS) study and comprises five conceptual treatment systems that treat DOE contract-handled mixed low-level wastes (MLLW) at temperatures of less than 350{degrees}F. ASPEN PLUS, a chemical process simulator, was used to model the systems. Nonthermal treatment systems were developed as part of the INTS study and include sufficient processing steps to treat the entire inventory of MLLW. The final result of the modeling is a process flowsheet with a detailed mass and energy balance. In contrast to the ITTS study, which modeled only the main treatment system, the INTS study modeled each of the various processing steps with ASPEN PLUS, release 9.1-1. Trace constituents, such as radionuclides and minor pollutant species, were not included in the calculations.
Pre-relaxation in weakly interacting models
Bertini, Bruno; Fagotti, Maurizio
2015-07-01
We consider time evolution in models close to integrable points with hidden symmetries that generate infinitely many local conservation laws that do not commute with one another. The system is expected to (locally) relax to a thermal ensemble if integrability is broken, or to a so-called generalised Gibbs ensemble if unbroken. In some circumstances expectation values exhibit quasi-stationary behaviour long before their typical relaxation time. For integrability-breaking perturbations, these are also called pre-thermalisation plateaux, and emerge e.g. in the strong coupling limit of the Bose-Hubbard model. As a result of the hidden symmetries, quasi-stationarity appears also in integrable models, for example in the Ising limit of the XXZ model. We investigate a weak coupling limit, identify a time window in which the effects of the perturbations become significant and solve the time evolution through a mean-field mapping. As an explicit example we study the XYZ spin-\\frac{1}{2} chain with additional perturbations that break integrability. One of the most intriguing results of the analysis is the appearance of persistent oscillatory behaviour. To unravel its origin, we study in detail a toy model: the transverse-field Ising chain with an additional nonlocal interaction proportional to the square of the transverse spin per unit length (2013 Phys. Rev. Lett. 111 197203). Despite being nonlocal, this belongs to a class of models that emerge as intermediate steps of the mean-field mapping and shares many dynamical properties with the weakly interacting models under consideration.
An Integrated Approach to Mathematical Modeling: A Classroom Study.
Doerr, Helen M.
Modeling, simulation, and discrete mathematics have all been identified by professional mathematics education organizations as important areas for secondary school study. This classroom study focused on the components and tools for modeling and how students use these tools to construct their understanding of contextual problems in the content area…
Evaluating EML Modeling Tools for Insurance Purposes: A Case Study
Directory of Open Access Journals (Sweden)
Mikael Gustavsson
2010-01-01
Full Text Available As with any situation that involves economical risk refineries may share their risk with insurers. The decision process generally includes modelling to determine to which extent the process area can be damaged. On the extreme end of modelling the so-called Estimated Maximum Loss (EML scenarios are found. These scenarios predict the maximum loss a particular installation can sustain. Unfortunately no standard model for this exists. Thus the insurers reach different results due to applying different models and different assumptions. Therefore, a study has been conducted on a case in a Swedish refinery where several scenarios previously had been modelled by two different insurance brokers using two different softwares, ExTool and SLAM. This study reviews the concept of EML and analyses the used models to see which parameters are most uncertain. Also a third model, EFFECTS, was employed in an attempt to reach a conclusion with higher reliability.
A case study of consensus modelling for tracking oil spills
International Nuclear Information System (INIS)
King, Brian; Brushett, Ben; Lemckert, Charles
2010-01-01
Metocean forecast datasets are essential for the timely response to marine incidents and pollutant spill mitigation at sea. To effectively model the likely drift pattern and the area of impact for a marine spill, both wind and ocean current forecast datasets are required. There are two ocean current forecast models and two wind forecast models currently used operationally in the Australia and Asia Pacific region. The availability of several different forecast models provides a unique opportunity to compare the outcome of a particular modelling exercise with the outcome of another using a different model and determining whether there is consensus in the results. Two recent modelling exercises, the oil spill resulting from the damaged Pacific Adventurer (in Queensland) and the oil spill from the Montara well blowout (in Western Australia) are presented as case studies to examine consensus modelling.
Complete wind farm electromagnetic transient modelling for grid integration studies
International Nuclear Information System (INIS)
Zubia, I.; Ostolaza, X.; Susperregui, A.; Tapia, G.
2009-01-01
This paper presents a modelling methodology to analyse the impact of wind farms in surrounding networks. Based on the transient modelling of the asynchronous generator, the multi-machine model of a wind farm composed of N generators is developed. The model incorporates step-up power transformers, distribution lines and surrounding loads up to their connection to the power network. This model allows the simulation of symmetric and asymmetric short-circuits located in the distribution network and the analysis of transient stability of wind farms. It can be also used to study the islanding operation of wind farms
Critical, statistical, and thermodynamical properties of lattice models
Energy Technology Data Exchange (ETDEWEB)
Varma, Vipin Kerala
2013-10-15
In this thesis we investigate zero temperature and low temperature properties - critical, statistical and thermodynamical - of lattice models in the contexts of bosonic cold atom systems, magnetic materials, and non-interacting particles on various lattice geometries. We study quantum phase transitions in the Bose-Hubbard model with higher body interactions, as relevant for optical lattice experiments of strongly interacting bosons, in one and two dimensions; the universality of the Mott insulator to superfluid transition is found to remain unchanged for even large three body interaction strengths. A systematic renormalization procedure is formulated to fully re-sum these higher (three and four) body interactions into the two body terms. In the strongly repulsive limit, we analyse the zero and low temperature physics of interacting hard-core bosons on the kagome lattice at various fillings. Evidence for a disordered phase in the Ising limit of the model is presented; in the strong coupling limit, the transition between the valence bond solid and the superfluid is argued to be first order at the tip of the solid lobe.
Critical, statistical, and thermodynamical properties of lattice models
International Nuclear Information System (INIS)
Varma, Vipin Kerala
2013-10-01
In this thesis we investigate zero temperature and low temperature properties - critical, statistical and thermodynamical - of lattice models in the contexts of bosonic cold atom systems, magnetic materials, and non-interacting particles on various lattice geometries. We study quantum phase transitions in the Bose-Hubbard model with higher body interactions, as relevant for optical lattice experiments of strongly interacting bosons, in one and two dimensions; the universality of the Mott insulator to superfluid transition is found to remain unchanged for even large three body interaction strengths. A systematic renormalization procedure is formulated to fully re-sum these higher (three and four) body interactions into the two body terms. In the strongly repulsive limit, we analyse the zero and low temperature physics of interacting hard-core bosons on the kagome lattice at various fillings. Evidence for a disordered phase in the Ising limit of the model is presented; in the strong coupling limit, the transition between the valence bond solid and the superfluid is argued to be first order at the tip of the solid lobe.
Marcelino, Edgar
2017-05-01
This paper considers a model consisting of a kinetic term, Rashba spin-orbit coupling and short-range Coulomb interaction at zero temperature. The Coulomb interaction is decoupled by a mean-field approximation in the spin channel using field theory methods. The results feature a first-order phase transition for any finite value of the chemical potential and quantum criticality for vanishing chemical potential. The Hall conductivity is also computed using the Kubo formula in a mean-field effective Hamiltonian. In the limit of infinite mass the kinetic term vanishes and all the phase transitions are of second order; in this case the spontaneous symmetry-breaking mechanism adds a ferromagnetic metallic phase to the system and features a zero-temperature quantization of the Hall conductivity in the insulating one.
Isolated heart models: cardiovascular system studies and technological advances.
Olejnickova, Veronika; Novakova, Marie; Provaznik, Ivo
2015-07-01
Isolated heart model is a relevant tool for cardiovascular system studies. It represents a highly reproducible model for studying broad spectrum of biochemical, physiological, morphological, and pharmaceutical parameters, including analysis of intrinsic heart mechanics, metabolism, and coronary vascular response. Results obtained in this model are under no influence of other organ systems, plasma concentration of hormones or ions and influence of autonomic nervous system. The review describes various isolated heart models, the modes of heart perfusion, and advantages and limitations of various experimental setups. It reports the improvements of perfusion setup according to Langendorff introduced by the authors.
Kumar, Manoranjan
2016-02-03
An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y junctions, systems with three arms of n sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new sites are always bonded to the most recently added sites and the superblock Hamiltonian contains only new or once renormalized operators. Junctions of up to N=3n+1≈500 sites are studied with antiferromagnetic (AF) Heisenberg exchange J between nearest-neighbor spins S or electron transfer t between nearest neighbors in half-filled Hubbard models. Exchange or electron transfer is exclusively between sites in two sublattices with NA≠NB. The ground state (GS) and spin densities ρr=⟨Szr⟩ at site r are quite different for junctions with S=1/2, 1, 3/2, and 2. The GS has finite total spin SG=2S(S) for even (odd) N and for MG=SG in the SG spin manifold, ρr>0(<0) at sites of the larger (smaller) sublattice. S=1/2 junctions have delocalized states and decreasing spin densities with increasing N. S=1 junctions have four localized Sz=1/2 states at the end of each arm and centered on the junction, consistent with localized states in S=1 chains with finite Haldane gap. The GS of S=3/2 or 2 junctions of up to 500 spins is a spin density wave with increased amplitude at the ends of arms or near the junction. Quantum fluctuations completely suppress AF order in S=1/2 or 1 junctions, as well as in half-filled Hubbard junctions, but reduce rather than suppress AF order in S=3/2 or 2 junctions.
Kumar, Manoranjan; Parvej, Aslam; Thomas, Simil; Ramasesha, S.; Soos, Z. G.
2016-01-01
An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y junctions, systems with three arms of n sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new sites are always bonded to the most recently added sites and the superblock Hamiltonian contains only new or once renormalized operators. Junctions of up to N=3n+1≈500 sites are studied with antiferromagnetic (AF) Heisenberg exchange J between nearest-neighbor spins S or electron transfer t between nearest neighbors in half-filled Hubbard models. Exchange or electron transfer is exclusively between sites in two sublattices with NA≠NB. The ground state (GS) and spin densities ρr=⟨Szr⟩ at site r are quite different for junctions with S=1/2, 1, 3/2, and 2. The GS has finite total spin SG=2S(S) for even (odd) N and for MG=SG in the SG spin manifold, ρr>0(<0) at sites of the larger (smaller) sublattice. S=1/2 junctions have delocalized states and decreasing spin densities with increasing N. S=1 junctions have four localized Sz=1/2 states at the end of each arm and centered on the junction, consistent with localized states in S=1 chains with finite Haldane gap. The GS of S=3/2 or 2 junctions of up to 500 spins is a spin density wave with increased amplitude at the ends of arms or near the junction. Quantum fluctuations completely suppress AF order in S=1/2 or 1 junctions, as well as in half-filled Hubbard junctions, but reduce rather than suppress AF order in S=3/2 or 2 junctions.
Modelling and propagation of uncertainties in the German Risk Study
International Nuclear Information System (INIS)
Hofer, E.; Krzykacz, B.
1982-01-01
Risk assessments are generally subject to uncertainty considerations. This is because of the various estimates that are involved. The paper points out those estimates in the so-called phase A of the German Risk Study, for which uncertainties were quantified. It explains the probabilistic models applied in the assessment to their impact on the findings of the study. Finally the resulting subjective confidence intervals of the study results are presented and their sensitivity to these probabilistic models is investigated
Air Pollution Exposure Modeling for Health Studies | Science ...
Dr. Michael Breen is leading the development of air pollution exposure models, integrated with novel personal sensor technologies, to improve exposure and risk assessments for individuals in health studies. He is co-investigator for multiple health studies assessing the exposure and effects of air pollutants. These health studies include participants with asthma, diabetes, and coronary artery disease living in various U.S. cities. He has developed, evaluated, and applied novel exposure modeling and time-activity tools, which includes the Exposure Model for Individuals (EMI), GPS-based Microenvironment Tracker (MicroTrac) and Exposure Tracker models. At this seminar, Dr. Breen will present the development and application of these models to predict individual-level personal exposures to particulate matter (PM) for two health studies in central North Carolina. These health studies examine the association between PM and adverse health outcomes for susceptible individuals. During Dr. Breen’s visit, he will also have the opportunity to establish additional collaborations with researchers at Harvard University that may benefit from the use of exposure models for cohort health studies. These research projects that link air pollution exposure with adverse health outcomes benefit EPA by developing model-predicted exposure-dose metrics for individuals in health studies to improve the understanding of exposure-response behavior of air pollutants, and to reduce participant
John L. Campbell; Charles T. Driscoll; Afshin Pourmokhtarian; Katharine. Hayhoe
2011-01-01
Climate change has the potential to alter streamflow regimes, having ecological, economic, and societal implications. In the northeastern United States, it is unclear how climate change may affect surface water supply, which is of critical importance in this densely populated region. The objective of this study was to evaluate the impact of climate change on the timing...
Injury Based on Its Study in Experimental Models
Directory of Open Access Journals (Sweden)
M. Mendes-Braz
2012-01-01
Full Text Available The present review focuses on the numerous experimental models used to study the complexity of hepatic ischemia/reperfusion (I/R injury. Although experimental models of hepatic I/R injury represent a compromise between the clinical reality and experimental simplification, the clinical transfer of experimental results is problematic because of anatomical and physiological differences and the inevitable simplification of experimental work. In this review, the strengths and limitations of the various models of hepatic I/R are discussed. Several strategies to protect the liver from I/R injury have been developed in animal models and, some of these, might find their way into clinical practice. We also attempt to highlight the fact that the mechanisms responsible for hepatic I/R injury depend on the experimental model used, and therefore the therapeutic strategies also differ according to the model used. Thus, the choice of model must therefore be adapted to the clinical question being answered.
Bethe ansatz study for ground state of Fateev Zamolodchikov model
International Nuclear Information System (INIS)
Ray, S.
1997-01-01
A Bethe ansatz study of a self-dual Z N spin lattice model, originally proposed by V. A. Fateev and A. B. Zamolodchikov, is undertaken. The connection of this model to the Chiral Potts model is established. Transcendental equations connecting the zeros of Fateev endash Zamolodchikov transfer matrix are derived. The free energies for the ferromagnetic and the anti-ferromagnetic ground states are found for both even and odd spins. copyright 1997 American Institute of Physics
A Dynamic Wind Generation Model for Power Systems Studies
Estanqueiro, Ana
2007-01-01
In this paper, a wind park dynamic model is presented together with a base methodology for its application to power system studies. This detailed wind generation model addresses the wind turbine components and phenomena more relevant to characterize the power quality of a grid connected wind park, as well as the wind park response to the grid fast perturbations, e.g., low voltage ride through fault. The developed model was applied to the operating conditions of the selected sets of wind turbi...
MODELING SIMULATION AND PERFORMANCE STUDY OF GRIDCONNECTED PHOTOVOLTAIC ENERGY SYSTEM
Nagendra K; Karthik J; Keerthi Rao C; Kumar Raja Pemmadi
2017-01-01
This paper presents Modeling Simulation of grid connected Photovoltaic Energy System and performance study using MATLAB/Simulink. The Photovoltaic energy system is considered in three main parts PV Model, Power conditioning System and Grid interface. The Photovoltaic Model is inter-connected with grid through full scale power electronic devices. The simulation is conducted on the PV energy system at normal temperature and at constant load by using MATLAB.
Modeling and Testing of EVs - Preliminary Study and Laboratory Development
DEFF Research Database (Denmark)
Yang, Guang-Ya; Marra, Francesco; Nielsen, Arne Hejde
2010-01-01
Electric vehicles (EVs) are expected to play a key role in the future energy management system to stabilize both supply and consumption with the presence of high penetration of renewable generation. A reasonably accurate model of battery is a key element for the study of EVs behavior and the grid...... tests, followed by the suggestions towards a feasible battery model for further studies.......Electric vehicles (EVs) are expected to play a key role in the future energy management system to stabilize both supply and consumption with the presence of high penetration of renewable generation. A reasonably accurate model of battery is a key element for the study of EVs behavior and the grid...... impact at different geographical areas, as well as driving and charging patterns. Electric circuit model is deployed in this work to represent the electrical properties of a lithium-ion battery. This paper reports the preliminary modeling and validation work based on manufacturer data sheet and realistic...
Study and optimization of the partial discharges in capacitor model ...
African Journals Online (AJOL)
Page 1 ... experiments methodology for the study of such processes, in view of their modeling and optimization. The obtained result is a mathematical model capable to identify the parameters and the interactions between .... 5mn; the next landing is situated in 200 V over the voltage of partial discharges appearance and.
Sensitivity study of reduced models of the activated sludge process ...
African Journals Online (AJOL)
2009-08-07
Aug 7, 2009 ... Sensitivity study of reduced models of the activated sludge process, for the purposes of parameter estimation and process optimisation: Benchmark process with ASM1 and UCT reduced biological models. S du Plessis and R Tzoneva*. Department of Electrical Engineering, Cape Peninsula University of ...
A Theoretical Study of Subsurface Drainage Model Simulation of ...
African Journals Online (AJOL)
A three-dimensional variable-density groundwater flow model, the SEAWAT model, was used to assess the influence of subsurface drain spacing, evapotranspiration and irrigation water quality on salt concentration at the base of the root zone, leaching and drainage in salt affected irrigated land. The study was carried out ...
Generative Topic Modeling in Image Data Mining and Bioinformatics Studies
Chen, Xin
2012-01-01
Probabilistic topic models have been developed for applications in various domains such as text mining, information retrieval and computer vision and bioinformatics domain. In this thesis, we focus on developing novel probabilistic topic models for image mining and bioinformatics studies. Specifically, a probabilistic topic-connection (PTC) model…
2-D Model Test Study of the Suape Breakwater, Brazil
DEFF Research Database (Denmark)
Andersen, Thomas Lykke; Burcharth, Hans F.; Sopavicius, A.
This report deals with a two-dimensional model test study of the extension of the breakwater in Suape, Brazil. One cross-section was tested for stability and overtopping in various sea conditions. The length scale used for the model tests was 1:35. Unless otherwise specified all values given...
A Descriptive Study of Differing School Health Delivery Models
Becker, Sherri I.; Maughan, Erin
2017-01-01
The purpose of this exploratory qualitative study was to identify and describe emerging models of school health services. Participants (N = 11) provided information regarding their models in semistructured phone interviews. Results identified a variety of funding sources as well as different staffing configurations and supervision. Strengths of…
Use of travel cost models in planning: A case study
Allan Marsinko; William T. Zawacki; J. Michael Bowker
2002-01-01
This article examines the use of the travel cost, method in tourism-related decision making in the area of nonconsumptive wildlife-associated recreation. A travel cost model of nonconsumptive wildlife-associated recreation, developed by Zawacki, Maninko, and Bowker, is used as a case study for this analysis. The travel cost model estimates the demand for the activity...
Model for the dynamic study of AC contactors
Energy Technology Data Exchange (ETDEWEB)
Corcoles, F.; Pedra, J.; Garrido, J.P.; Baza, R. [Dep. d' Eng. Electrica ETSEIB. UPC, Barcelona (Spain)
2000-08-01
This paper proposes a model for the dynamic analysis of AC contactors. The calculation algorithm and implementation are discussed. The proposed model can be used to study the influence of the design parameters and the supply in their dynamic behaviour. The high calculation speed of the implemented algorithm allows extensive ranges of parameter variations to be analysed. (orig.)
A test-bed modeling study for wave resource assessment
Yang, Z.; Neary, V. S.; Wang, T.; Gunawan, B.; Dallman, A.
2016-02-01
Hindcasts from phase-averaged wave models are commonly used to estimate standard statistics used in wave energy resource assessments. However, the research community and wave energy converter industry is lacking a well-documented and consistent modeling approach for conducting these resource assessments at different phases of WEC project development, and at different spatial scales, e.g., from small-scale pilot study to large-scale commercial deployment. Therefore, it is necessary to evaluate current wave model codes, as well as limitations and knowledge gaps for predicting sea states, in order to establish best wave modeling practices, and to identify future research needs to improve wave prediction for resource assessment. This paper presents the first phase of an on-going modeling study to address these concerns. The modeling study is being conducted at a test-bed site off the Central Oregon Coast using two of the most widely-used third-generation wave models - WaveWatchIII and SWAN. A nested-grid modeling approach, with domain dimension ranging from global to regional scales, was used to provide wave spectral boundary condition to a local scale model domain, which has a spatial dimension around 60km by 60km and a grid resolution of 250m - 300m. Model results simulated by WaveWatchIII and SWAN in a structured-grid framework are compared to NOAA wave buoy data for the six wave parameters, including omnidirectional wave power, significant wave height, energy period, spectral width, direction of maximum directionally resolved wave power, and directionality coefficient. Model performance and computational efficiency are evaluated, and the best practices for wave resource assessments are discussed, based on a set of standard error statistics and model run times.
Data assimilation in modeling ocean processes: A bibliographic study
Digital Repository Service at National Institute of Oceanography (India)
Mahadevan, R.; Fernandes, A.A.; Saran, A.K.
An annotated bibliography on studies related to data assimilation in modeling ocean processes has been prepared. The bibliography listed here is not comprehensive and is not prepared from the original references. Information obtainable from...
Models for the study of Clostridium difficile infection
Best, Emma L.; Freeman, Jane; Wilcox, Mark H.
2012-01-01
Models of Clostridium difficile infection (C. difficile) have been used extensively for Clostridium difficile (C. difficile) research. The hamster model of C. difficile infection has been most extensively employed for the study of C. difficile and this has been used in many different areas of research, including the induction of C. difficile, the testing of new treatments, population dynamics and characterization of virulence. Investigations using in vitro models for C. difficile introduced the concept of colonization resistance, evaluated the role of antibiotics in C. difficile development, explored population dynamics and have been useful in the evaluation of C. difficile treatments. Experiments using models have major advantages over clinical studies and have been indispensible in furthering C. difficile research. It is important for future study programs to carefully consider the approach to use and therefore be better placed to inform the design and interpretation of clinical studies. PMID:22555466
Guadalupe River, California, Sedimentation Study. Numerical Model Investigation
National Research Council Canada - National Science Library
Copeland, Ronald
2002-01-01
A numerical model study was conducted to evaluate the potential impact that the Guadalupe River flood-control project would have on channel stability in terms of channel aggradation and degradation...
Functional renormalization group study of fluctuation effects in fermionic superfluids
Energy Technology Data Exchange (ETDEWEB)
Eberlein, Andreas
2013-03-22
This thesis is concerned with ground state properties of two-dimensional fermionic superfluids. In such systems, fluctuation effects are particularly strong and lead for example to a renormalization of the order parameter and to infrared singularities. In the first part of this thesis, the fermionic two-particle vertex is analysed and the fermionic renormalization group is used to derive flow equations for a decomposition of the vertex in charge, magnetic and pairing channels. In the second part, the channel-decomposition scheme is applied to various model systems. In the superfluid state, the fermionic two-particle vertex develops rich and singular dependences on momentum and frequency. After simplifying its structure by exploiting symmetries, a parametrization of the vertex in terms of boson-exchange interactions in the particle-hole and particle-particle channels is formulated, which provides an efficient description of the singular momentum and frequency dependences. Based on this decomposition of the vertex, flow equations for the effective interactions are derived on one- and two-loop level, extending existing channel-decomposition schemes to (i) the description of symmetry breaking in the Cooper channel and (ii) the inclusion of those two-loop renormalization contributions to the vertex that are neglected in the Katanin scheme. In the second part, the superfluid ground state of various model systems is studied using the channel-decomposition scheme for the vertex and the flow equations. A reduced model with interactions in the pairing and forward scattering channels is solved exactly, yielding insights into the singularity structure of the vertex. For the attractive Hubbard model at weak coupling, the momentum and frequency dependence of the two-particle vertex and the frequency dependence of the self-energy are determined on one- and two-loop level. Results for the suppression of the superfluid gap by fluctuations are in good agreement with the literature
A study for production simulation model generation system based on data model at a shipyard
Directory of Open Access Journals (Sweden)
Myung-Gi Back
2016-09-01
Full Text Available Simulation technology is a type of shipbuilding product lifecycle management solution used to support production planning or decision-making. Normally, most shipbuilding processes are consisted of job shop production, and the modeling and simulation require professional skills and experience on shipbuilding. For these reasons, many shipbuilding companies have difficulties adapting simulation systems, regardless of the necessity for the technology. In this paper, the data model for shipyard production simulation model generation was defined by analyzing the iterative simulation modeling procedure. The shipyard production simulation data model defined in this study contains the information necessary for the conventional simulation modeling procedure and can serve as a basis for simulation model generation. The efficacy of the developed system was validated by applying it to the simulation model generation of the panel block production line. By implementing the initial simulation model generation process, which was performed in the past with a simulation modeler, the proposed system substantially reduced the modeling time. In addition, by reducing the difficulties posed by different modeler-dependent generation methods, the proposed system makes the standardization of the simulation model quality possible.
Study of the properties of general relativistic Kink model (GRK)
International Nuclear Information System (INIS)
Oliveira, L.C.S. de.
1980-01-01
The stability of the general relativistic Kink model (GRK) is studied. It is shown that the model is stable at least against radial perturbations. Furthermore, the Dirac field in the background of the geometry generated by the GRK is studied. It is verified that the GRK localizes the Dirac field, around the region of largest curvature. The physical interpretation of this system (the Dirac field in the GRK background) is discussed. (Author) [pt
Model study on radioecology in Biblis. Pt. 2
Energy Technology Data Exchange (ETDEWEB)
1980-03-01
The present volume 'Water Pathway II' of the model study radioecology Biblis contains the remaining six part studies on the subjects: 1. Concentration of radionuclides in river sediments. 2. Incorporation via terrestrial food (milk, fruit, vegetables). 3. Radioactive substances in the Rhine not arising from nuclear power stations. 4. Dynamic model for intermittent outlet during reactor operation. 5. Exposure to radiation of the Rhine-fishes. 6. Influence of contaminated waste water on industrial utilization of surface waters.
Drosophila melanogaster as a model organism to study nanotoxicity.
Ong, Cynthia; Yung, Lin-Yue Lanry; Cai, Yu; Bay, Boon-Huat; Baeg, Gyeong-Hun
2015-05-01
Drosophila melanogaster has been used as an in vivo model organism for the study of genetics and development since 100 years ago. Recently, the fruit fly Drosophila was also developed as an in vivo model organism for toxicology studies, in particular, the field of nanotoxicity. The incorporation of nanomaterials into consumer and biomedical products is a cause for concern as nanomaterials are often associated with toxicity in many in vitro studies. In vivo animal studies of the toxicity of nanomaterials with rodents and other mammals are, however, limited due to high operational cost and ethical objections. Hence, Drosophila, a genetically tractable organism with distinct developmental stages and short life cycle, serves as an ideal organism to study nanomaterial-mediated toxicity. This review discusses the basic biology of Drosophila, the toxicity of nanomaterials, as well as how the Drosophila model can be used to study the toxicity of various types of nanomaterials.
Construction of a biodynamic model for Cry protein production studies.
Navarro-Mtz, Ana Karin; Pérez-Guevara, Fermín
2014-12-01
Mathematical models have been used from growth kinetic simulation to gen regulatory networks prediction for B. thuringiensis culture. However, this culture is a time dependent dynamic process where cells physiology suffers several changes depending on the changes in the cell environment. Therefore, through its culture, B. thuringiensis presents three phases related with the predominance of three major metabolic pathways: vegetative growth (Embded-Meyerhof-Parnas pathway), transition (γ-aminobutiric cycle) and sporulation (tricarboxylic acid cycle). There is not available a mathematical model that relates the different stages of cultivation with the metabolic pathway active on each one of them. Therefore, in the present study, and based on published data, a biodynamic model was generated to describe the dynamic of the three different phases based on their major metabolic pathways. The biodynamic model is used to study the interrelation between the different culture phases and their relationship with the Cry protein production. The model consists of three interconnected modules where each module represents one culture phase and its principal metabolic pathway. For model validation four new fermentations were done showing that the model constructed describes reasonably well the dynamic of the three phases. The main results of this model imply that poly-β-hydroxybutyrate is crucial for endospore and Cry protein production. According to the yields of dipicolinic acid and Cry from poly-β-hydroxybutyrate, calculated with the model, the endospore and Cry protein production are not just simultaneous and parallel processes they are also competitive processes.
Study on Tower Models for EHV Transmission Line
Directory of Open Access Journals (Sweden)
Xu Bao-Qing
2016-01-01
Full Text Available Lightning outage accident is one of the main factors that threat seriously the safe and reliable operation of power system. So it is very important to establish reasonable transmission tower model and evaluate the impulse response characteristic of lightning wave traveling on the transmission tower properly for determining reliable lightning protection performance. With the help of Electromagnetic Transient Program (EMTP, six 500kV tower models are built. Aiming at one line to one transformer operating mode of 500kV substation, the intruding wave overvoltage under different tower models is calculated. The effect of tower model on intruding overvoltage has been studied. The results show that different tower models can result in great differences to the calculation results. Hence, reasonable selection of the tower model in the calculation of back- strike intruding wave is very important.