Phase Transitions of Hard Disks in External Periodic Potentials: A Monte Carlo Study

The nature of freezing and melting transitions for a system of hard disks in a spatially periodic external potential is studied using extensive Monte Carlo simulations. Detailed finite size scaling analysis of various thermodynamic quantities like the order parameter, its cumulants etc. are used to map the phase diagram of the system for various values of the density and the amplitude of the external potential. We find clear indication of a re-entrant liquid phase over a significant region of the parameter space. Our simulations therefore show that the system of hard disks behaves in a fashion similar to charge stabilized colloids which are known to undergo an initial freezing, followed by a re-melting transition as the amplitude of the imposed, modulating field produced by crossed laser beams is steadily increased. Detailed analysis of our data shows several features consistent with a recent dislocation unbinding theory of laser induced melting.Comment: 36 pages, 16 figure

Monte Carlo Methods for Estimating Interfacial Free Energies and Line Tensions

Excess contributions to the free energy due to interfaces occur for many problems encountered in the statistical physics of condensed matter when coexistence between different phases is possible (e.g. wetting phenomena, nucleation, crystal growth, etc.). This article reviews two methods to estimate both interfacial free energies and line tensions by Monte Carlo simulations of simple models, (e.g. the Ising model, a symmetrical binary Lennard-Jones fluid exhibiting a miscibility gap, and a simple Lennard-Jones fluid). One method is based on thermodynamic integration. This method is useful to study flat and inclined interfaces for Ising lattices, allowing also the estimation of line tensions of three-phase contact lines, when the interfaces meet walls (where "surface fields" may act). A generalization to off-lattice systems is described as well. The second method is based on the sampling of the order parameter distribution of the system throughout the two-phase coexistence region of the model. Both the interface free energies of flat interfaces and of (spherical or cylindrical) droplets (or bubbles) can be estimated, including also systems with walls, where sphere-cap shaped wall-attached droplets occur. The curvature-dependence of the interfacial free energy is discussed, and estimates for the line tensions are compared to results from the thermodynamic integration method. Basic limitations of all these methods are critically discussed, and an outlook on other approaches is given

Surface critical exponents at a uniaxial Lifshitz point

Using Monte Carlo techniques, the surface critical behaviour of three-dimensional semi-infinite ANNNI models with different surface orientations with respect to the axis of competing interactions is investigated. Special attention is thereby paid to the surface criticality at the bulk uniaxial Lifshitz point encountered in this model. The presented Monte Carlo results show that the mean-field description of semi-infinite ANNNI models is qualitatively correct. Lifshitz point surface critical exponents at the ordinary transition are found to depend on the surface orientation. At the special transition point, however, no clear dependency of the critical exponents on the surface orientation is revealed. The values of the surface critical exponents presented in this study are the first estimates available beyond mean-field theory.Comment: 10 pages, 7 figures include

Determining the density of states for classical statistical models: A random walk algorithm to produce a flat histogram

We describe an efficient Monte Carlo algorithm using a random walk in energy space to obtain a very accurate estimate of the density of states for classical statistical models. The density of states is modified at each step when the energy level is visited to produce a flat histogram. By carefully controlling the modification factor, we allow the density of states to converge to the true value very quickly, even for large systems. This algorithm is especially useful for complex systems with a rough landscape since all possible energy levels are visited with the same probability. In this paper, we apply our algorithm to both 1st and 2nd order phase transitions to demonstrate its efficiency and accuracy. We obtained direct simulational estimates for the density of states for two-dimensional ten-state Potts models on lattices up to $200 \times 200$ and Ising models on lattices up to $256 \times 256$. Applying this approach to a 3D $\pm J$ spin glass model we estimate the internal energy and entropy at zero temperature; and, using a two-dimensional random walk in energy and order-parameter space, we obtain the (rough) canonical distribution and energy landscape in order-parameter space. Preliminary data suggest that the glass transition temperature is about 1.2 and that better estimates can be obtained with more extensive application of the method.Comment: 22 pages (figures included

Self-Averaging, Distribution of Pseudo-Critical Temperatures and Finite Size Scaling in Critical Disordered Systems

The distributions $P(X)$ of singular thermodynamic quantities in an ensemble of quenched random samples of linear size $l$ at the critical point $T_c$ are studied by Monte Carlo in two models. Our results confirm predictions of Aharony and Harris based on Renormalization group considerations. For an Ashkin-Teller model with strong but irrelevant bond randomness we find that the relative squared width, $R_X$, of $P(X)$ is weakly self averaging. $R_X\sim l^{\alpha/\nu}$, where $\alpha$ is the specific heat exponent and $\nu$ is the correlation length exponent of the pure model fixed point governing the transition. For the site dilute Ising model on a cubic lattice, known to be governed by a random fixed point, we find that $R_X$ tends to a universal constant independent of the amount of dilution (no self averaging). However this constant is different for canonical and grand canonical disorder. We study the distribution of the pseudo-critical temperatures $T_c(i,l)$ of the ensemble defined as the temperatures of the maximum susceptibility of each sample. We find that its variance scales as $(\delta T_c(l))^2 \sim l^{-2/\nu}$ and NOT as $\sim l^{-d}. We find that$R_\chi$is reduced by a factor of$\sim 70$with respect to$R_\chi (T_c)$by measuring$\chi$of each sample at$T_c(i,l)$. We analyze correlations between the magnetization at criticality$m_i(T_c,l)$and the pseudo-critical temperature$T_c(i,l)$in terms of a sample independent finite size scaling function of a sample dependent reduced temperature$(T-T_c(i,l))/T_c$. This function is found to be universal and to behave similarly to pure systems.Comment: 31 pages, 17 figures, submitted to Phys. Rev.

Structural Information in Two-Dimensional Patterns: Entropy Convergence and Excess Entropy

We develop information-theoretic measures of spatial structure and pattern in more than one dimension. As is well known, the entropy density of a two-dimensional configuration can be efficiently and accurately estimated via a converging sequence of conditional entropies. We show that the manner in which these conditional entropies converge to their asymptotic value serves as a measure of global correlation and structure for spatial systems in any dimension. We compare and contrast entropy-convergence with mutual-information and structure-factor techniques for quantifying and detecting spatial structure.Comment: 11 pages, 5 figures, http://www.santafe.edu/projects/CompMech/papers/2dnnn.htm

Surface critical behavior in fixed dimensions d<4d<4: Nonanalyticity of critical surface enhancement and massive field theory approach

The critical behavior of semi-infinite systems in fixed dimensions $d<4$ is investigated theoretically. The appropriate extension of Parisi's massive field theory approach is presented.Two-loop calculations and subsequent Pad\'e-Borel analyses of surface critical exponents of the special and ordinary phase transitions yield estimates in reasonable agreement with recent Monte Carlo results. This includes the crossover exponent $\Phi (d=3)$, for which we obtain the values $\Phi (n=1)\simeq 0.54$ and $\Phi (n=0)\simeq 0.52$, considerably lower than the previous $\epsilon$-expansion estimates.Comment: Latex with Revtex-Stylefiles, 4 page

A Real Space Description of Magnetic Field Induced Melting in the Charge Ordered Manganites: I. The Clean Limit

We study the melting of charge order in the half doped manganites using a model that incorporates double exchange, antiferromagnetic superexchange, and Jahn-Teller coupling between electrons and phonons. We primarily use a real space Monte Carlo technique to study the phase diagram in terms of applied field $(h)$ and temperature $(T)$, exploring the melting of charge order with increasing $h$ and its recovery on decreasing $h$. We observe hysteresis in this response, and discover that the `field melted' high conductance state can be spatially inhomogeneous even without extrinsic disorder. The hysteretic response plays out in the background of field driven equilibrium phase separation. Our results, exploring $h$, $T$, and the electronic parameter space, are backed up by analysis of simpler limiting cases and a Landau framework for the field response. This paper focuses on our results in the `clean' systems, a companion paper studies the effect of cation disorder on the melting phenomena.Comment: 16 pages, pdflatex, 11 png fig

Scale-free static and dynamical correlations in melts of monodisperse and Flory-distributed homopolymers: A review of recent bond-fluctuation model studies

It has been assumed until very recently that all long-range correlations are screened in three-dimensional melts of linear homopolymers on distances beyond the correlation length $\xi$ characterizing the decay of the density fluctuations. Summarizing simulation results obtained by means of a variant of the bond-fluctuation model with finite monomer excluded volume interactions and topology violating local and global Monte Carlo moves, we show that due to an interplay of the chain connectivity and the incompressibility constraint, both static and dynamical correlations arise on distances $r \gg \xi$. These correlations are scale-free and, surprisingly, do not depend explicitly on the compressibility of the solution. Both monodisperse and (essentially) Flory-distributed equilibrium polymers are considered.Comment: 60 pages, 49 figure

Theory of Two-Dimensional Quantum Heisenberg Antiferromagnets with a Nearly Critical Ground State

We present the general theory of clean, two-dimensional, quantum Heisenberg antiferromagnets which are close to the zero-temperature quantum transition between ground states with and without long-range N\'{e}el order. For N\'{e}el-ordered states, `nearly-critical' means that the ground state spin-stiffness, $\rho_s$, satisfies $\rho_s \ll J$, where $J$ is the nearest-neighbor exchange constant, while `nearly-critical' quantum-disordered ground states have a energy-gap, $\Delta$, towards excitations with spin-1, which satisfies $\Delta \ll J$. Under these circumstances, we show that the wavevector/frequency-dependent uniform and staggered spin susceptibilities, and the specific heat, are completely universal functions of just three thermodynamic parameters. Explicit results for the universal scaling functions are obtained by a $1/N$ expansion on the $O(N)$ quantum non-linear sigma model, and by Monte Carlo simulations. These calculations lead to a variety of testable predictions for neutron scattering, NMR, and magnetization measurements. Our results are in good agreement with a number of numerical simulations and experiments on undoped and lightly-doped $La_{2-\delta} Sr_{\delta}Cu O_4$.Comment: 81 pages, REVTEX 3.0, smaller updated version, YCTP-xxx