Master equation approach to computing RVB bond amplitudes

We describe a "master equation" analysis for the bond amplitudes h(r) of an RVB wavefunction. Starting from any initial guess, h(r) evolves (in a manner dictated by the spin hamiltonian under consideration) toward a steady-state distribution representing an approximation to the true ground state. Unknown transition coefficients in the master equation are treated as variational parameters. We illustrate the method by applying it to the J1-J2 antiferromagnetic Heisenberg model. Without frustration (J2=0), the amplitudes are radially symmetric and fall off as 1/r^3 in the bond length. As the frustration increases, there are precursor signs of columnar or plaquette VBS order: the bonds preferentially align along the axes of the square lattice and weight accrues in the nearest-neighbour bond amplitudes. The Marshall sign rule holds over a large range of couplings, J2/J1 < 0.418. It fails when the r=(2,1) bond amplitude first goes negative, a point also marked by a cusp in the ground state energy. A nonrigourous extrapolation of the staggered magnetic moment (through this point of nonanalyticity) shows it vanishing continuously at a critical value J2/J1 = 0.447. This may be preempted by a first-order transition to a state of broken translational symmetry.Comment: 8 pages, 7 figure

Application of a two-dimensional parabolic computer program to prediction of turbulent reacting flows

The capabilities of a computer program are explored, and computed results are compared with data. The comparisons are restricted to two-dimensional flows. Subsonic and supersonic flows, ducted and nonducted, reacting and nonreacting, are considered. An evaluation of models used for turbulence and chemical reaction was included. Constants in the dissipation rate of turbulent kinetic energy, turbulence model, which produces mixing in good agreement with data, are the same for all calculations. Experimental data are reported for coaxial injection at matched pressure (1 atm or 101.3 kPa) of a cold, Mach 2, hydrogen jet into a hot, Mach 2, vitiated airstream. Profiles of pitot pressure and gas composition obtained from water cooled probes are reported and compared with theoretical results

Subscale, hydrogen-burning, airframe-integrated-scramjet: Experimental and theoretical evaluation of a water cooled strut airframe-integrated-scramjet: Experimental leading edge

A water-cooled leading-edge design for an engine/airframe integrated scramjet model strut leading edge was evaluated. The cooling design employs a copper cooling tube brazed just downstream of the leading edge of a wedge-shaped strut which is constructed of oxygen-free copper. The survival of the strut leading edge during a series of tests at stagnation point heating rates confirms the practicality of the cooling design. A finite difference thermal model of the strut was also proven valid by the reasonable agreement of calculated and measured values of surface temperature and cooling-water heat transfer

Variational ground states of 2D antiferromagnets in the valence bond basis

We study a variational wave function for the ground state of the two-dimensional S=1/2 Heisenberg antiferromagnet in the valence bond basis. The expansion coefficients are products of amplitudes h(x,y) for valence bonds connecting spins separated by (x,y) lattice spacings. In contrast to previous studies, in which a functional form for h(x,y) was assumed, we here optimize all the amplitudes for lattices with up to 32*32 spins. We use two different schemes for optimizing the amplitudes; a Newton/conjugate-gradient method and a stochastic method which requires only the signs of the first derivatives of the energy. The latter method performs significantly better. The energy for large systems deviates by only approx. 0.06% from its exact value (calculated using unbiased quantum Monte Carlo simulations). The spin correlations are also well reproduced, falling approx. 2% below the exact ones at long distances. The amplitudes h(r) for valence bonds of long length r decay as 1/r^3. We also discuss some results for small frustrated lattices.Comment: v2: 8 pages, 5 figures, significantly expanded, new optimization method, improved result

Dynamical screening in strongly correlated metal SrVO3

The consequences of dynamical screening of Coulomb interaction among correlated electrons in realistic materials have not been widely considered before. In this letter we try to incorporate a frequency dependent Coulomb interaction into the state-of-the-art ab initio electronic structure computing framework of local density approximation plus dynamical mean-field theory, and then choose SrVO3 as a prototype material to demonstrate the importance of dynamical screening effect. It is shown to renormalise the spectral weight near the Fermi level, to increase the effective mass, and to suppress the t2g quasiparticle band width apparently. The calculated results are in accordance with very recent angle-resolved photoemission spectroscopy experiments and Bose factor ansatz calculations.Comment: 6 pages, 4 figures. arXiv admin note: text overlap with arXiv:1107.312

A reliable Pade analytical continuation method based on a high accuracy symbolic computation algorithm

We critique a Pade analytic continuation method whereby a rational polynomial function is fit to a set of input points by means of a single matrix inversion. This procedure is accomplished to an extremely high accuracy using a novel symbolic computation algorithm. As an example of this method in action we apply it to the problem of determining the spectral function of a one-particle thermal Green's function known only at a finite number of Matsubara frequencies with two example self energies drawn from the T-matrix theory of the Hubbard model. We present a systematic analysis of the effects of error in the input points on the analytic continuation, and this leads us to propose a procedure to test quantitatively the reliability of the resulting continuation, thus eliminating the black magic label frequently attached to this procedure.Comment: 11 pages, 8 eps figs, revtex format; revised version includes reference to anonymous ftp site containing example codes (MapleVr5.1 worksheets) displaying the implementation of the algorithm, including the padematinv.m library packag

Chiral magnetization textures stabilized by the Dzyaloshinskii-Moriya interaction during spin-orbit torque switching

We study the effect of the Dzyaloshinskii-Moriya interaction (DMI) on current-induced magnetic switching of a perpendicularly magnetized heavy-metal/ferromagnet/oxide trilayer both experimentally and through micromagnetic simulations. We report the generation of stable helical magnetization stripes for a sufficiently large DMI strength in the switching region, giving rise to intermediate states in the magnetization confirming the essential role of the DMI on switching processes. We compare the simulation and experimental results to a macrospin model, showing the need for a micromagnetic approach. The influence of the temperature on the switching is also discussed.Comment: Includes corrected acknowledgements and clarification of simulation parameter

A water-vapor electrolysis cell with phosphoric acid electrolyte

Feasibility of phosphoric acid water vapor electrolysis cell for spacecraft cabin air conditioning syste

Persistence of magnons in a site-diluted dimerized frustrated antiferromagnet

We present inelastic neutron scattering and thermodynamic measurements characterizing the magnetic excitations in a disordered non-magnetic substituted spin-liquid antiferromagnet. The parent compound Ba3Mn2O8 is a dimerized, quasi-two-dimensional geometrically frustrated quantum disordered antiferromagnet. We substitute this compound with non-magnetic vanadium for the S = 1 manganese atoms, Ba3(Mn1-xVx)2O8, and find that the singlet-triplet excitations which dominate the spectrum of the parent compound persist for the full range of substitution examined, x = 0.02 to 0.3. We also observe additional low-energy magnetic fluctuations which are enhanced at the greatest substitution values. These excitations may be a precursor to a low-temperature random singlet phase which may exist in Ba3(Mn1-xVx)2O8Comment: 30 pages, 9 figure