The Localization Transition of the Two-Dimensional Lorentz Model

We investigate the dynamics of a single tracer particle performing Brownian motion in a two-dimensional course of randomly distributed hard obstacles. At a certain critical obstacle density, the motion of the tracer becomes anomalous over many decades in time, which is rationalized in terms of an underlying percolation transition of the void space. In the vicinity of this critical density the dynamics follows the anomalous one up to a crossover time scale where the motion becomes either diffusive or localized. We analyze the scaling behavior of the time-dependent diffusion coefficient D(t) including corrections to scaling. Away from the critical density, D(t) exhibits universal hydrodynamic long-time tails both in the diffusive as well as in the localized phase.Comment: 13 pages, 7 figures

Charge Dynamics in the Planar t-J Model

The finite-temperature optical conductivity $\sigma(\omega)$ in the planar $t-J$ model is analysed using recently introduced numerical method based on the Lanczos diagonalization of small systems (up to 20 sites), as well as by analytical approaches, including the method of frequency moments and the retraceable-path approximation. Results for a dynamical mobility of a single hole at elevated temperatures $T>t$ reveal a Gaussian-like $\mu(\omega)$ spectra, however with a nonanalytical behavior at low $\omega$. In the single hole response a difference between the ferromagnetic (J=0) and the antiferromagnetic ($J>0$) polaron shows up at $T<J$. At larger dopings numerical results in studied systems are consistent with the thermodynamical behavior for $T>T^*\ge 0.1~t$. $\sigma(\omega)$ spectra show a non-Drude falloff at large frequencies. In particular for `optimum' doping $n_h \sim 0.2$ we obtain in the low-$\omega,T$ regime the relaxation rate $\tau^{-1} \sim 0.6 (\omega+\xi T)$ with $\xi \sim 3$, being consistent with the marginal Fermi liquid concept and experiments. Within the same regime we reproduce the nearly linear variation of dc resistivity $\rho$ with $T$. This behavior is weakly dependent on $J$, provided that $J<t$.Comment: 21 pages of text plus 17 figures, postscrip

Transport properties of dense fluid argon

We calculate using molecular dynamics simulations the transport properties of realistically modeled fluid argon at pressures up to $\simeq 50GPa$ and temperatures up to $3000K$. In this context we provide a critique of some newer theoretical predictions for the diffusion coefficients of liquids and a discussion of the Enskog theory relevance under two different adaptations: modified Enskog theory (MET) and effective diameter Enskog theory. We also analyze a number of experimental data for the thermal conductivity of monoatomic and small diatomic dense fluids.Comment: 8 pages, 6 figure

Detailed Examination of Transport Coefficients in Cubic-Plus-Quartic Oscillator Chains

We examine the thermal conductivity and bulk viscosity of a one-dimensional (1D) chain of particles with cubic-plus-quartic interparticle potentials and no on-site potentials. This system is equivalent to the FPU-alpha beta system in a subset of its parameter space. We identify three distinct frequency regimes which we call the hydrodynamic regime, the perturbative regime and the collisionless regime. In the lowest frequency regime (the hydrodynamic regime) heat is transported ballistically by long wavelength sound modes. The model that we use to describe this behaviour predicts that as the frequency goes to zero the frequency dependent bulk viscosity and the frequency dependent thermal conductivity should diverge with the same power law dependence on frequency. Thus, we can define the bulk Prandtl number as the ratio of the bulk viscosity to the thermal conductivity (with suitable prefactors to render it dimensionless). This dimensionless ratio should approach a constant value as frequency goes to zero. We use mode-coupling theory to predict the zero frequency limit. Values of the bulk Prandtl number from simulations are in agreement with these predictions over a wide range of system parameters. In the middle frequency regime, which we call the perturbative regime, heat is transported by sound modes which are damped by four-phonon processes. We call the highest frequency regime the collisionless regime since at these frequencies the observing times are much shorter than the characteristic relaxation times of phonons. The perturbative and collisionless regimes are discussed in detail in the appendices.Comment: Latex with references in .bib file. 36 pages, 8 figures. Submitted to J. Stat. Phys. on Sept. 2

Glass Transition of Hard Sphere Systems: Molecular Dynamics and Density Functional Theory

The glass transition of a hard sphere system is investigated within the framework of the density functional theory (DFT). Molecular dynamics (MD) simulations are performed to study dynamical behavior of the system on the one hand and to provide the data to produce the density field for the DFT on the other hand. Energy landscape analysis based on the DFT shows that there appears a metastable (local) free energy minimum representing an amorphous state as the density is increased. This state turns out to become stable, compared with the uniform liquid, at some density, around which we also observe sharp slowing down of the $alpha$ relaxation in MD simulations.Comment: 5 pages, 5 figure

Random close packing of granular matter

We propose an interpretation of the random close packing of granular materials as a phase transition, and discuss the possibility of experimental verification.Comment: 6 page

Self-consistent Overhauser model for the pair distribution function of an electron gas in dimensionalities D=3 and D=2

We present self-consistent calculations of the spin-averaged pair distribution function $g(r)$ for a homogeneous electron gas in the paramagnetic state in both three and two dimensions, based on an extension of a model that was originally proposed by A. W. Overhauser [Can. J. Phys. {\bf 73}, 683 (1995)] and further evaluated by P. Gori-Giorgi and J. P. Perdew [Phys. Rev. B {\bf 64}, 155102 (2001)]. The model involves the solution of a two-electron scattering problem via an effective Coulombic potential, that we determine within a self-consistent Hartree approximation. We find numerical results for $g(r)$ that are in excellent agreement with Quantum Monte Carlo data at low and intermediate coupling strength $r_s$, extending up to $r_s\approx 10$ in dimensionality D=3. However, the Hartree approximation does not properly account for the emergence of a first-neighbor peak at stronger coupling, such as at $r_s=5$ in D=2, and has limited accuracy in regard to the spin-resolved components $g_{\uparrow\uparrow}(r)$ and $g_{\uparrow\downarrow}(r)$. We also report calculations of the electron-electron s-wave scattering length, to test an analytical expression proposed by Overhauser in D=3 and to present new results in D=2 at moderate coupling strength. Finally, we indicate how this approach can be extended to evaluate the pair distribution functions in inhomogeneous electron systems and hence to obtain improved exchange-correlation energy functionals.Comment: 14 pages, 7 figuers, to apear in Physical Review

Dynamics and Scaling of 2D Polymers in a Dilute Solution

The breakdown of dynamical scaling for a dilute polymer solution in 2D has been suggested by Shannon and Choy [Phys. Rev. Lett. {\bf 79}, 1455 (1997)]. However, we show here both numerically and analytically that dynamical scaling holds when the finite-size dependence of the relevant dynamical quantities is properly taken into account. We carry out large-scale simulations in 2D for a polymer chain in a good solvent with full hydrodynamic interactions to verify dynamical scaling. This is achieved by novel mesoscopic simulation techniques

Which mechanism underlies the water-like anomalies in core-softened potentials?

Using molecular dynamics simulations we investigate the thermodynamic of particles interacting with a continuous and a discrete versions of a core-softened (CS) intermolecular potential composed by a repulsive shoulder. Dynamic and structural properties are also analyzed by the simulations. We show that in the continuous version of the CS potential the density at constant pressure has a maximum for a certain temperature. Similarly the diffusion constant, $D$, at a constant temperature has a maximum at a density $\rho_{\mathrm{max}}$ and a minimum at a density $\rho_{\mathrm{min}}<\rho_{\mathrm{max}}$, and structural properties are also anomalous. For the discrete CS potential none of these anomalies are observed. The absence of anomalies in the discrete case and its presence in the continuous CS potential are discussed in the framework of the excess entropy.Comment: 8 page

A cluster theory for a Janus fluid

Recent Monte Carlo simulations on the Kern and Frenkel model of a Janus fluid have revealed that in the vapour phase there is the formation of preferred clusters made up of a well-defined number of particles: the micelles and the vesicles. A cluster theory is developed to approximate the exact clustering properties stemming from the simulations. It is shown that the theory is able to reproduce the micellisation phenomenon.Comment: 27 pages, 8 figures, 6 table