Orientational correlations and the effect of spatial gradients in the equilibrium steady state of hard rods in 2D : A study using deposition-evaporation kinetics

Deposition and evaporation of infinitely thin hard rods (needles) is studied in two dimensions using Monte Carlo simulations. The ratio of deposition to evaporation rates controls the equilibrium density of rods, and increasing it leads to an entropy-driven transition to a nematic phase in which both static and dynamical orientational correlation functions decay as power laws, with exponents varying continuously with deposition-evaporation rate ratio. Our results for the onset of the power-law phase agree with those for a conserved number of rods. At a coarse-grained level, the dynamics of the non-conserved angle field is described by the Edwards-Wilkinson equation. Predicted relations between the exponents of the quadrupolar and octupolar correlation functions are borne out by our numerical results. We explore the effects of spatial inhomogeneity in the deposition-evaporation ratio by simulations, entropy-based arguments and a study of the new terms introduced in the free energy. The primary effect is that needles tend to align along the local spatial gradient of the ratio. A uniform gradient thus induces a uniformly aligned state, as does a gradient which varies randomly in magnitude and sign, but acts only in one direction. Random variations of deposition-evaporation rates in both directions induce frustration, resulting in a state with glassy characteristics.Comment: modified version, Accepted for publication in Physical Review

Domain Growth in Ising Systems with Quenched Disorder

We present results from extensive Monte Carlo (MC) simulations of domain growth in ferromagnets and binary mixtures with quenched disorder. These are modeled by the "random-bond Ising model" and the "dilute Ising model" with either nonconserved (Glauber) spin-flip kinetics or conserved (Kawasaki) spin-exchange kinetics. In all cases, our MC results are consistent with power-law growth with an exponent $\theta (T,\epsilon)$ which depends on the quench temperature $T$ and the disorder amplitude $\epsilon$. Such exponents arise naturally when the coarsening domains are trapped by energy barriers which grow logarithmically with the domain size. Our MC results show excellent agreement with the predicted dependence of $\theta (T,\epsilon)$.Comment: 11 pages, 15 figure

Transitions of tethered polymer chains: A simulation study with the bond fluctuation lattice model

A polymer chain tethered to a surface may be compact or extended, adsorbed or desorbed, depending on interactions with the surface and the surrounding solvent. This leads to a rich phase diagram with a variety of transitions. To investigate these transitions we have performed Monte Carlo simulations of a bond-fluctuation model with Wang-Landau and umbrella sampling algorithms in a two-dimensional state space. The simulations' density of states results have been evaluated for interaction parameters spanning the range from good to poor solvent conditions and from repulsive to strongly attractive surfaces. In this work, we describe the simulation method and present results for the overall phase behavior and for some of the transitions. For adsorption in good solvent, we compare with Metropolis Monte Carlo data for the same model and find good agreement between the results. For the collapse transition, which occurs when the solvent quality changes from good to poor, we consider two situations corresponding to three-dimensional (hard surface) and two-dimensional (very attractive surface) chain conformations, respectively. For the hard surface, we compare tethered chains with free chains and find very similar behavior for both types of chains. For the very attractive surface, we find the two-dimensional chain collapse to be a two-step transition with the same sequence of transitions that is observed for three-dimensional chains: a coil-globule transition that changes the overall chain size is followed by a local rearrangement of chain segments.Comment: 17 pages, 12 figures, to appear in J. Chem. Phy

Chain length dependence of the polymer-solvent critical point parameters

We report grand canonical Monte Carlo simulations of the critical point properties of homopolymers within the Bond Fluctuation model. By employing Configurational Bias Monte Carlo methods, chain lengths of up to N=60 monomers could be studied. For each chain length investigated, the critical point parameters were determined by matching the ordering operator distribution function to its universal fixed-point Ising form. Histogram reweighting methods were employed to increase the efficiency of this procedure. The results indicate that the scaling of the critical temperature with chain length is relatively well described by Flory theory, i.e. \Theta-T_c\sim N^{-0.5}. The critical volume fraction, on the other hand, was found to scale like \phi_c\sim N^{-0.37}, in clear disagreement with the Flory theory prediction \phi_c\sim N^{-0.5}, but in good agreement with experiment. Measurements of the chain length dependence of the end-to-end distance indicate that the chains are not collapsed at the critical point.Comment: 13 Pages Revtex, 9 epsf embedded figs. gzipped tar file. To appear in J. Chem. Phy

Diversity of discrete breathers observed in a Josephson ladder

We generate and observe discrete rotobreathers in Josephson junction ladders with open boundaries. Rotobreathers are localized excitations that persist under the action of a spatially uniform force. We find a rich variety of stable dynamic states including pure symmetric, pure asymmetric, and mixed states. The parameter range where the discrete breathers are observed in our experiment is limited by retrapping due to dissipation.Comment: 5 pages, 6 figure

Finite-size scaling at the dynamical transition of the mean-field 10-state Potts glass

We use Monte Carlo simulations to study the static and dynamical properties of a Potts glass with infinite range Gaussian distributed exchange interactions for a broad range of temperature and system size up to N=2560 spins. The results are compatible with a critical divergence of the relaxation time tau at the theoretically predicted dynamical transition temperature T_D, tau \propto (T-T_D)^{-\Delta} with Delta \approx 2. For finite N a further power law at T=T_D is found, tau(T=T_D) \propto N^{z^\star} with z^\star \approx 1.5 and for T>T_D dynamical finite-size scaling seems to hold. The order parameter distribution P(q) is qualitatively compatible with the scenario of a first order glass transition as predicted from one-step replica symmetry breaking schemes.Comment: 8 pages of Latex, 4 figure

Kinetics of Phase Separation in Thin Films: Simulations for the Diffusive Case

We study the diffusion-driven kinetics of phase separation of a symmetric binary mixture (AB), confined in a thin-film geometry between two parallel walls. We consider cases where (a) both walls preferentially attract the same component (A), and (b) one wall attracts A and the other wall attracts B (with the same strength). We focus on the interplay of phase separation and wetting at the walls, which is referred to as {\it surface-directed spinodal decomposition} (SDSD). The formation of SDSD waves at the two surfaces, with wave-vectors oriented perpendicular to them, often results in a metastable layered state (also referred to as ``stratified morphology''). This state is reminiscent of the situation where the thin film is still in the one-phase region but the surfaces are completely wet, and hence coated with thick wetting layers. This metastable state decays by spinodal fluctuations and crosses over to an asymptotic growth regime characterized by the lateral coarsening of pancake-like domains. These pancakes may or may not be coated by precursors of wetting layers. We use Langevin simulations to study this crossover and the growth kinetics in the asymptotic coarsening regime.Comment: 39 pages, 19 figures, submitted to Phys.Rev.

Confinement Effects in Antiferromagnets

Phase equilibrium in confined Ising antiferromagnets was studied as a function of the coupling (v) and a magnetic field (h) at the surfaces, in the presence of an external field H. The ground state properties were calculated exactly for symmetric boundary conditions and nearest-neighbor interactions, and a full zero-temperature phase diagram in the plane v-h was obtained for films with symmetry-preserving surface orientations. The ground-state analysis was extended to the H-T plane using a cluster-variation free energy. The study of the finite-T properties (as a function of v and h) reveals the close interdependence between the surface and finite-size effects and, together with the ground-state phase diagram, provides an integral picture of the confinement in anisotropic antiferromagnets with surfaces that preserve the symmetry of the order parameter.Comment: 10 pages, 8 figures, Accepted in Phys. Rev.

Kinetics of Phase Separation in Fluids: A Molecular Dynamics Study

We present results from extensive 3-d molecular dynamics (MD) simulations of phase separation kinetics in fluids. A coarse-graining procedure is used to obtain state-of-the-art MD results. We observe an extended period of temporally linear growth in the viscous hydrodynamic regime. The morphological similarity of coarsening in fluids and solids is also quantified. The velocity field is characterized by the presence of monopole-like defects, which yield a generalized Porod tail in the corresponding structure factor.Comment: 4 pages, 4 figure