Interplay of superconductivity and magnetism in strong coupling

A model is introduced describing the interplay between superconductivity and spin-ordering. It is characterized by on-site repulsive electron-electron interactions, causing antiferromagnetism, and nearest-neighbor attractive interactions, giving rise to d-wave superconductivity. Due to a special choice for the lattice, this model has a strong-coupling limit where the superconductivity can be described by a bosonic theory, similar to the strongly coupled negative U Hubbard model. This limit is analyzed in the present paper. A rich mean-field phase diagram is found and the leading quantum corrections to the mean-field results are calculated. The first-order line between the antiferromagnetic- and the superconducting phase is found to terminate at a tricritical point, where two second-order lines originate. At these lines, the system undergoes a transition to- and from a phase exhibiting both antiferromagnetic order and superconductivity. At finite temperatures above the spin-disordering line, quantum-critical behavior is found. For specific values of the model parameters, it is possible to obtain SO(5) symmetry involving the spin- and the phase-sector at the tricritical point. Although this symmetry is explicitly broken by the projection to the lower Hubbard band, it survives on the mean-field level, and modes related to a spontaneously broken SO(5) symmetry are present on the level of the random phase approximation in the superconducting phase.Comment: 16 pages Revtex, 5 figure

Theory of site-disordered magnets

In realistic spinglasses, such as CuMn, AuFe and EuSrS, magnetic atoms are located at random positions. Their couplings are determined by their relative positions. For such systems a field theory is formulated. In certain limits it reduces to the Hopfield model, the Sherrington-Kirkpatrick model, and the Viana-Bray model. The model has a percolation transition, while for RKKY couplings the ``concentration scaling'' T_g proportional to c occurs. Within the Gaussian approximation the Ginzburg-Landau expansion is considered in the clusterglass phase, that is to say, for not too small concentrations. Near special points, the prefactor of the cubic term, or the one of the replica-symmetry- breaking quartic term, may go through zero. Around such points new spin glass phases are found.Comment: 26 pages Revtex, 6 figure

Computer simulation of the hydrodynamics of a two-dimensional gas-fluidized bed

A first principles model of a gas-fluidized bed has been applied to calculate the hydrodynamics of a two-dimensional (2-D) bed with an orifice in the middle of a porous plate distributor. The advanced hydrodynamic model is based on a two fluid model approach in which both phases are considered to be continuous and fully interpenetrating. Conservation equations for mass, momentum and thermal energy have been solved numerically by a finite difference technique on a mini-computer. Our computer model calculates the porosity, the pressure, the fluidum phase temperature, the solid phase temperature and the velocity fields of both phases in 2-D Cartesian or axisymmetrical cylindrical coordinates. The new feature of the present model is the incorporation of Newtonian behaviour in the gas and solid phases. Our preliminary calculations indicate that the sensitivity of the computed bubble size with respect to the bed rheology (i.e. the solid phase viscosity) is quite small. However the bubble shape appears to be much more sensitive to the bed rheology. Results of the calculations have been compared with data obtained from an experimental cold-flow model (height: 1000 mm, width: 570 mm, depth: 15 mm)

Structures, Energetics, and Reaction Barriers for CH_x Bound to the Nickel (111) Surface

To provide a basis for understanding and improving such reactive processes on nickel surfaces as the catalytic steam reforming of hydrocarbons, the decomposition of hydrocarbons at fuel cell anodes, and the growth of carbon nanotubes, we report quantum mechanics calculations (PBE flavor of density functional theory, DFT) of the structures, binding energies, and reaction barriers for all CH_x species on the Ni(111) surface using periodically infinite slabs. We find that all CH_x species prefer binding to μ3 (3-fold) sites leading to bond energies ranging from 42.7 kcal/mol for CH_3 to 148.9 kcal/mol for CH (the number of Ni-C bonds is not well-defined). We find reaction barriers of 18.3 kcal/mol for CH_(3,ad) → CH_(2,ad) + H_(ad) (with ΔE = +1.3 kcal/ mol), 8.2 kcal/mol for CH_(2,ad) → CH_(ad) + H_(ad) (with ΔE = -10.2 kcal/mol) and 32.3 kcal/mol for CH_(ad) → C_(ad) + H_(ad) (with ΔE = 11.6 kcal/mol). Thus, CH_(ad) is the stable form of CH_x on the surface. These results are in good agreement with the experimental data for the thermodynamic stability of small hydrocarbon species following dissociation of methane on Ni(111) and with the intermediates isolated during the reverse methanation process