On final states of 2D decaying turbulence

Numerical and analytical studies of "final states" of two-dimensional (2D) decaying turbulence are reported. The first part of this work is trying to give a definition for final states of 2D decaying turbulence. Although the functional relation of $\omega-\psi$ is frequently used as the characterization of those "final states," it is just a sufficient but not necessary condition so it is not proper to be used as the definition. It is found the way through the value of the effective area S covered by the scatter $\omega-\psi$ plot, which is initially suggested by Read, is more general, and more suitable for the definition. Based on this concept, we gave out a definition that can cover all existing results in late states of decaying 2D flows, including some weird double-valued $\omega-\psi$ scatter plots that can not be explained before. The rest part of the paper is trying to further investigate 2D decaying turbulence with the assistance of our new definition. Some new numerical results, which lead to "bar" final states and further verify the predictive ability of statistical mechanics [2], are reported. It is realized that some simulations with narrow-band energy spectral initial conditions, which can be called "turbulence" doubtfully, lead to some final states that can not be very well explained by the statistical theory (in the meanwhile, they are still in the scope of our new definition of the "final state"). For those simulations with initial conditions of broadband energy spectra that lead to the famous dipole, we give out a mathematical re-interpreting for the so-called sin-hyperbolic ("sinh") $\omega-\psi$ scatter plot in final states. We suggest the term "sinh" here should be replaced by "sinh-like." The corresponding physical meaning of this re-interpreting will also be discussed.Comment: 19 pages, 10 figures, submitted to "physics of fluids

Rational material design of mixed-valent high Tc_c superconductors

We design, from first principles calculations, a novel family of thallium halide-based compounds as candidates for new high temperature superconductors, whose superconductivity is mediated by the recently proposed mechanism of non-local correlation-enhanced strong electron-phonon coupling. Two prototype compounds namely CsTlF$_3$ and CsTlCl$_3$ are studied with various hole doping levels and volumes. The critical superconducting temperature T$_c$ are predicted to be about 30 K and 20 K with $\sim$0.35/f.u. hole doping and require only modest pressures ($\sim$10 and $\sim$2 GPa), respectively. Our procedure of designing this class of superconductors is quite general and can be used to search for other "other high temperature superconductors".Comment: 6- ages, EPL 101, 27002 (2013

Correlation-enhanced electron-phonon coupling: Applications of GW and screened hybrid functional to bismuthates, chloronitrides, and other high Tc superconductors

We show that the electron-phonon coupling (EPC) in many materials can be significantly underestimated by the standard density functional theory (DFT) in the local density approximation (LDA) due to large non-local correlation effects. We present a simple yet efficient methodology to evaluate the realistic EPC going beyond LDA by using more advanced and accurate GW and screened hybrid functional DFT approaches. The corrections we propose explain the extraordinarily high superconducting temperatures that are observed in two distinct classes of compounds-the bismuthates and the transition metal chloronitrides, thus solving a thirty-year-old puzzle. Our work calls for the critically reevaluation of the EPC of certain phonon modes in many other materials such as cuprates and iron-based superconductors. The proposed methodology can be used to design new correlation-enhanced high temperature superconductors and other functional materials involving electron-phonon interaction.Comment: Substantilly extended version of the previous manuscript, 19 pages, 10 figures, accepted for publication in Phys. Rev.

Fractional power-law behavior and its origin in iron-chalcogenide and ruthenate superconductors: Insights from first-principles calculations

We perform realistic first-principles calculations of iron chalcogenides and ruthenate based materials to identify experimental signatures of Hund's coupling induced correlations in these systems. We find that FeTe and K$_x$Fe$_{2-y}$Se$_2$ display unusual orbital dependent fractional powerlaw behavior in their quasiparticle self energy and optical conductivity, a phenomena first identified in SrRuO$_3$. Strong incoherence in the paramagnetic state of these materials results in electronic states hidden to angle-resolved photoemission spectroscopy which reemerge at low temperatures. We identify the effective low energy Hamiltonian describing these systems and show that these anomalies are not controlled by the proximity to a quantum critical point but result from coexistence of fast quantum mechanical orbital fluctuations and slow spin fluctuations.Comment: Phys. Rev. B 86, 195141 (2012), two typos correcte

Two-phase flow and oxygen transport in the perforated gas diffusion layer of proton exchange membrane fuel cell

Liquid water transport in perforated gas diffusion layers (GDLs)is numerically investigated using a three-dimensional (3D)two-phase volume of fluid (VOF)model and a stochastic reconstruction model of GDL microstructures. Different perforation depths and diameters are investigated, in comparison with the GDL without perforation. It is found that perforation can considerably reduce the liquid water level inside a GDL. The perforation diameter (D = 100 μm)and the depth (H = 100 μm)show pronounced effect. In addition, two different perforation locations, i.e. the GDL center and the liquid water break-through point, are investigated. Results show that the latter perforation location works more efficiently. Moreover, the perforation perimeter wettability is studied, and it is found that a hydrophilic region around the perforation further reduces the water saturation. Finally, the oxygen transport in the partially-saturated GDL is studied using an oxygen diffusion model. Results indicate that perforation reduces the oxygen diffusion resistance in GDLs and improves the oxygen concentration at the GDL bottom up to 101% (D = 100 μm and H = 100 μm)