Mott transition and suppression of orbital fluctuations in orthorhombic 3d1d^{1} perovskites

Using $t_{2g}$ Wannier-functions, a low-energy Hamiltonian is derived for orthorhombic $3d^{1}$ transition-metal oxides. Electronic correlations are treated with a new implementation of dynamical mean-field theory for non-cubic systems. Good agreement with photoemission data is obtained. The interplay of correlation effects and cation covalency (GdFeO$_{3}$-type distortions) is found to suppress orbital fluctuations in LaTiO$_{3},$ and even more in YTiO$_{3}$, and to favor the transition to the insulating state.Comment: 4 pages, 3 figures; revised manuscrip

Self-consistency over the charge-density in dynamical mean-field theory: a linear muffin-tin implementation and some physical implications

We present a simple implementation of the dynamical mean-field theory approach to the electronic structure of strongly correlated materials. This implementation achieves full self-consistency over the charge density, taking into account correlation-induced changes to the total charge density and effective Kohn-Sham Hamiltonian. A linear muffin-tin orbital basis-set is used, and the charge density is computed from moments of the many body momentum-distribution matrix. The calculation of the total energy is also considered, with a proper treatment of high-frequency tails of the Green's function and self-energy. The method is illustrated on two materials with well-localized 4f electrons, insulating cerium sesquioxide Ce2O3 and the gamma-phase of metallic cerium, using the Hubbard-I approximation to the dynamical mean-field self-energy. The momentum-integrated spectral function and momentum-resolved dispersion of the Hubbard bands are calculated, as well as the volume-dependence of the total energy. We show that full self-consistency over the charge density, taking into account its modification by strong correlations, can be important for the computation of both thermodynamical and spectral properties, particularly in the case of the oxide material.Comment: 20 pages, 6 figures (submitted in The Physical Review B

Cluster magnetic fields from large-scale-structure and galaxy-cluster shocks

The origin of the micro-Gauss magnetic fields in galaxy clusters is one of the outstanding problem of modern cosmology. We have performed three-dimensional particle-in-cell simulations of the nonrelativistic Weibel instability in an electron-proton plasma, in conditions typical of cosmological shocks. These simulations indicate that cluster fields could have been produced by shocks propagating through the intergalactic medium during the formation of large-scale structure or by shocks within the cluster. The strengths of the shock-generated fields range from tens of nano-Gauss in the intercluster medium to a few micro-Gauss inside galaxy clusters.Comment: 4 pages, 2 color figure

Modification of classical electron transport due to collisions between electrons and fast ions

A Fokker-Planck model for the interaction of fast ions with the thermal electrons in a quasi-neutral plasma is developed. When the fast ion population has a net flux (i.e. the distribution of the fast ions is anisotropic in velocity space) the electron distribution function is significantly perturbed from Maxwellian by collisions with the fast ions, even if the fast ion density is orders of magnitude smaller than the electron density. The Fokker-Planck model is used to derive classical electron transport equations (a generalized Ohm's law and a heat flow equation) that include the effects of the electron-fast ion collisions. It is found that these collisions result in a current term in the transport equations which can be significant even when total current is zero. The new transport equations are analyzed in the context of a number of scenarios including $\alpha$ particle heating in ICF and MIF plasmas and ion beam heating of dense plasmas

The last Gamma Ray Burst in our Galaxy? On the observed cosmic ray excess at particle energy 1 EeV

Here we propose that the excess flux of particle events of energy near 1 EeV from the direction of the Galactic Center region is due to the production of cosmic rays by the last few Gamma Ray Bursts in our Galaxy. The basic idea is that protons get accelerated inside Gamma Ray Bursts, then get ejected as neutrons, decay and so turn back into protons, meander around the inner Galaxy for some time, and then interact again, turning back to neutrons to be observed at our distance from the Galactic Center region, where most star formation is happening in our Galaxy. We demonstrate that this suggestion leads to a successful interpretation of the data, within the uncertainties of cosmic ray transport time scales in the inner Galaxy, and in conjunction with many arguments in the literature.Comment: Accepted for publication in Ap. J. Letter

Coarse Graining of Nonbonded Inter-particle Potentials Using Automatic Simplex Optimization to Fit Structural Properties

We implemented a coarse-graining procedure to construct mesoscopic models of complex molecules. The final aim is to obtain better results on properties depending on slow modes of the molecules. Therefore the number of particles considered in molecular dynamics simulations is reduced while conserving as many properties of the original substance as possible. We address the problem of finding nonbonded interaction parameters which reproduce structural properties from experiment or atomistic simulations. The approach consists of optimizing automatically nonbonded parameters using the simplex algorithm to fit structural properties like the radial distribution function as target functions. Moreover, any mix of structural and thermodynamic properties can be included in the target function. Different spherically symmetric inter-particle potentials are discussed. Besides demonstrating the method for Lennard--Jones liquids, it is applied to several more complex molecular liquids such as diphenyl carbonate, tetrahydrofurane, and monomers of poly(isoprene).Comment: 24 pages, 3 tables, 14 figures submitted to the Journal of Chemical Physics (JCP

Magneto-convection in a sunspot umbra

Results from a realistic simulation of 3D radiative magneto-convection in a strong background magnetic field corresponding to the conditions in sunspot umbrae are shown. The convective energy transport is dominated by narrow upflow plumes with adjacent downflows, which become almost field-free near the surface layers. The strong external magnetic field forces the plumes to assume a cusp-like shape in their top parts, where the upflowing plasma loses its buoyancy. The resulting bright features in intensity images correspond well (in terms of brightness, size, and lifetime) to the observed umbral dots in the central parts of sunspot umbrae. Most of the simulated umbral dots have a horizontally elongated form with a central dark lane. Above the cusp, most plumes show narrow upflow jets, which are driven by the pressure of the piled-up plasma below. The large velocities and low field strengths in the plumes are effectively screened from spectroscopic observation because the surfaces of equal optical depth are locally elevated, so that spectral lines are largely formed above the cusp. Our simulations demonstrate that nearly field-free upflow plumes and umbral dots are a natural result of convection in a strong, initially monolithic magnetic field.Comment: Accepted by Astrophysical Journal Letter

Recurrent Neutrino Emission from Supermassive Black Hole Mergers

The recent detection of possible neutrino emission from the blazar TXS 0506+056 was the first high-energy neutrino associated with an astrophysical source, making this special type of active galaxies promising neutrino emitters. The fact that two distinct episodes of neutrino emission were detected with a separation of around 3 years suggests that emission could be periodic. Periodic emission is expected from supermassive binary black hole systems due to jet precession close to the binary's merger. Here we show that if TXS 0506+056 is a binary source then the next neutrino flare could occur before the end of 2021. We derive the binary properties that would lead to the detection of gravitational waves from this system by LISA. Our results for the first time quantify the time scale of these correlations for the example of TXS 0506+056, providing clear predictions for both the neutrino and gravitational-wave signatures of such sources.Comment: 6 pages, 3 figures, submitte

Two-loop renormalization-group theory for the quasi-one-dimensional Hubbard model at half filling

We derive two-loop renormalization-group equations for the half-filled one-dimensional Hubbard chains coupled by the interchain hopping. Our renormalization-group scheme for the quasi-one-dimensional electron system is a natural extension of that for the purely one-dimensional systems in the sense that transverse-momentum dependences are introduced in the g-ological coupling constants and we regard the transverse momentum as a patch index. We develop symmetry arguments for the particle-hole symmetric half-filled Hubbard model and obtain constraints on the g-ological coupling constants by which resultant renormalization equations are given in a compact form. By solving the renormalization-group equations numerically, we estimate the magnitude of excitation gaps and clarify that the charge gap is suppressed due to the interchain hopping but is always finite even for the relevant interchain hopping. To show the validity of the present analysis, we also apply this to the two-leg ladder system. By utilizing the field-theoretical bosonization and fermionization method, we derive low-energy effective theory and analyze the magnitude of all the excitation gaps in detail. It is shown that the low-energy excitations in the two-leg Hubbard ladder have SO(3) x SO(3) x U(1) symmetry when the interchain hopping exceeds the magnitude of the charge gap.Comment: 18 pages, 9 figures; Two appendices and one figure adde

Constraints on the Intergalactic Transport of Cosmic Rays

Motivated by recent experimental proposals to search for extragalactic cosmic rays (including anti-matter from distant galaxies), we study particle propagation through the intergalactic medium (IGM). We first use estimates of the magnetic field strength between galaxies to constrain the mean free path for diffusion of particles through the IGM. We then develop a simple analytic model to describe the diffusion of cosmic rays. Given the current age of galaxies, our results indicate that, in reasonable models, a completely negligible number of particles can enter our Galaxy from distances greater than $\sim 100$ Mpc for relatively low energies ($E$ $< 10^6$ GeV/n). We also find that particle destruction in galaxies along the diffusion path produces an exponential suppression of the possible flux of extragalactic cosmic rays. Finally, we use gamma ray constraints to argue that the distance to any hypothetical domains of anti-matter must be roughly comparable to the horizon scale.Comment: 24 pages, AAS LaTex, 1 figure, accepted to Ap