Simulation-based equation of state of the hard disk fluid and prediction of higher-order virial coefficients

We present new molecular dynamics results for the pressure of the pure hard disk fluid up to the hexatic transition (about reduced density 0.9). The data combined with the known virial coefficients (up to $B_{10}$) are used to build an equation of state, to estimate higher-order virial coefficients, and also to obtain a better value of $B_{10}$. Finite size effects are discussed in detail. The ``van der Waals-like'' loop reported in literature in the vicinity of the fluid/hexatic transition is explained by suppressed density fluctuations in the canonical ensemble. The inflection point on the pressure-density dependence is predicted by the equation of state even if the hexatic phase simulation data are not considered.Comment: 9 pages, 3 figures, presented at The Seventh Liblice Conference on the Statistical Mechanics of Liquids (Lednice, Czech Republic, June 11--16, 2006

On extrapolation of virial coefficients of hard spheres

Several methods of extrapolating the virial coefficients, including those proposed in this work, are discussed. The methods are demonstrated on predicting higher virial coefficients of one-component hard spheres. Estimated values of the eleventh to fifteenth virial coefficients are suggested. It has been speculated that the virial coefficients, B_n, beyond B_{14} may decrease with increasing n, and may reach negative values at large n. The extrapolation techniques may be utilized in other fields of science where the art of extrapolation plays a role.Comment: 8 pages, 1 figur

Optimum Monte Carlo Simulations: Some Exact Results

We obtain exact results for the acceptance ratio and mean squared displacement in Monte Carlo simulations of the simple harmonic oscillator in $D$ dimensions. When the trial displacement is made uniformly in the radius, we demonstrate that the results are independent of the dimensionality of the space. We also study the dynamics of the process via a spectral analysis and we obtain an accurate description for the relaxation time.Comment: 17 pages, 8 figures. submitted to J. Phys.

Logarithmic corrections in the aging of the fully-frustrated Ising model

We study the dynamics of the critical two-dimensional fully-frustrated Ising model by means of Monte Carlo simulations. The dynamical exponent is estimated at equilibrium and is shown to be compatible with the value $z_c=2$. In a second step, the system is prepared in the paramagnetic phase and then quenched at its critical temperature $T_c=0$. Numerical evidences for the existence of logarithmic corrections in the aging regime are presented. These corrections may be related to the topological defects observed in other fully-frustrated models. The autocorrelation exponent is estimated to be $\lambda=d$ as for the Ising chain quenched at $T_c=0$.Comment: 12 pages, 9 figure

A constrained Potts antiferromagnet model with an interface representation

We define a four-state Potts model ensemble on the square lattice, with the constraints that neighboring spins must have different values, and that no plaquette may contain all four states. The spin configurations may be mapped into those of a 2-dimensional interface in a 2+5 dimensional space. If this interface is in a Gaussian rough phase (as is the case for most other models with such a mapping), then the spin correlations are critical and their exponents can be related to the stiffness governing the interface fluctuations. Results of our Monte Carlo simulations show height fluctuations with an anomalous dependence on wavevector, intermediate between the behaviors expected in a rough phase and in a smooth phase; we argue that the smooth phase (which would imply long-range spin order) is the best interpretation.Comment: 61 pages, LaTeX. Submitted to J. Phys.

Ninth and Tenth Order Virial Coefficients for Hard Spheres in D Dimensions

We evaluate the virial coefficients B_k for k<=10 for hard spheres in dimensions D=2,...,8. Virial coefficients with k even are found to be negative when D>=5. This provides strong evidence that the leading singularity for the virial series lies away from the positive real axis when D>=5. Further analysis provides evidence that negative virial coefficients will be seen for some k>10 for D=4, and there is a distinct possibility that negative virial coefficients will also eventually occur for D=3.Comment: 33 pages, 12 figure

Density of states, Potts zeros, and Fisher zeros of the Q-state Potts model for continuous Q

The Q-state Potts model can be extended to noninteger and even complex Q in the FK representation. In the FK representation the partition function,Z(Q,a), is a polynomial in Q and v=a-1(a=e^-T) and the coefficients of this polynomial,Phi(b,c), are the number of graphs on the lattice consisting of b bonds and c connected clusters. We introduce the random-cluster transfer matrix to compute Phi exactly on finite square lattices. Given the FK representation of the partition function we begin by studying the critical Potts model Z_{CP}=Z(Q,a_c), where a_c=1+sqrt{Q}. We find a set of zeros in the complex w=sqrt{Q} plane that map to the Beraha numbers for real positive Q. We also identify tilde{Q}_c(L), the value of Q for a lattice of width L above which the locus of zeros in the complex p=v/sqrt{Q} plane lies on the unit circle. We find that 1/tilde{Q}_c->0 as 1/L->0. We then study zeros of the AF Potts model in the complex Q plane and determine Q_c(a), the largest value of Q for a fixed value of a below which there is AF order. We find excellent agreement with Q_c=(1-a)(a+3). We also investigate the locus of zeros of the FM Potts model in the complex Q plane and confirm that Q_c=(a-1)^2. We show that the edge singularity in the complex Q plane approaches Q_c as Q_c(L)~Q_c+AL^-y_q, and determine the scaling exponent y_q. Finally, by finite size scaling of the Fisher zeros near the AF critical point we determine the thermal exponent y_t as a function of Q in the range 2<Q<3. We find that y_t is a smooth function of Q and is well fit by y_t=(1+Au+Bu^2)/(C+Du) where u=u(Q). For Q=3 we find y_t~0.6; however if we include lattices up to L=12 we find y_t~0.50.Comment: to appear in Physical Review

Transfer Matrices and Partition-Function Zeros for Antiferromagnetic Potts Models. V. Further Results for the Square-Lattice Chromatic Polynomial

We derive some new structural results for the transfer matrix of square-lattice Potts models with free and cylindrical boundary conditions. In particular, we obtain explicit closed-form expressions for the dominant (at large |q|) diagonal entry in the transfer matrix, for arbitrary widths m, as the solution of a special one-dimensional polymer model. We also obtain the large-q expansion of the bulk and surface (resp. corner) free energies for the zero-temperature antiferromagnet (= chromatic polynomial) through order q^{-47} (resp. q^{-46}). Finally, we compute chromatic roots for strips of widths 9 <= m <= 12 with free boundary conditions and locate roughly the limiting curves.Comment: 111 pages (LaTeX2e). Includes tex file, three sty files, and 19 Postscript figures. Also included are Mathematica files data_CYL.m and data_FREE.m. Many changes from version 1: new material on series expansions and their analysis, and several proofs of previously conjectured results. Final version to be published in J. Stat. Phy

Unified Homogenization Theory for Magnetoinductive and Electromagnetic Waves in Split Ring Metamaterials

A unified homogenization procedure for split ring metamaterials taking into account time and spatial dispersion is introduced. The procedure is based on two coupled systems of equations. The first one comes from an approximation of the metamaterial as a cubic arrangement of coupled LC circuits, giving the relation between currents and local magnetic field. The second equation comes from macroscopic Maxwell equations, and gives the relation between the macroscopic magnetic field and the average magnetization of the metamaterial. It is shown that electromagnetic and magnetoinductive waves propagating in the metamaterial are obtained from this analysis. Therefore, the proposed time and spatially dispersive permeability accounts for the characterization of the complete spectrum of waves of the metamaterial. Finally, it is shown that the proposed theory is in good quantitative and qualitative agreement with full wave simulations.Comment: 4 pages, 3 figure