Evidence for sharper than expected transition between metastable and unstable states

In mean-field theory, i.e. infinite-range interactions, the transition between metastable and unstable states of a thermodynamic system is sharp. The metastable and the unstable states are separated by a spinodal curve. For systems with short-range interaction the transition between metastable and unstable states has been thought of as gradual. We show evidence, that one can define a sharp border between the two regions. We have analysed the lifetimes of states by considering the relaxation trajectories following a quench. The average lifetimes, as a function of the quench depth into the two-phase region, shows a very sharp drop defining a limit of stability for metastable states. Using the limit of stability we define a line similar to a spinodal in the two-phase region

Approaching equilibrium and the distribution of clusters

We investigate the approach to stable and metastable equilibrium in Ising models using a cluster representation. The distribution of nucleation times is determined using the Metropolis algorithm and the corresponding $\phi^{4}$ model using Langevin dynamics. We find that the nucleation rate is suppressed at early times even after global variables such as the magnetization and energy have apparently reached their time independent values. The mean number of clusters whose size is comparable to the size of the nucleating droplet becomes time independent at about the same time that the nucleation rate reaches its constant value. We also find subtle structural differences between the nucleating droplets formed before and after apparent metastable equilibrium has been established.Comment: 22 pages, 16 figure

Topological interactions between ring polymers: Implications for chromatin loops

Chromatin looping is a major epigenetic regulatory mechanism in higher eukaryotes. Besides its role in transcriptional regulation, chromatin loops have been proposed to play a pivotal role in the segregation of entire chromosomes. The detailed topological and entropic forces between loops still remain elusive. Here, we quantitatively determine the potential of mean force between the centers of mass of two ring polymers, i.e. loops. We find that the transition from a linear to a ring polymer induces a strong increase in the entropic repulsion between these two polymers. On top, topological interactions such as the non-catenation constraint further reduce the number of accessible conformations of close-by ring polymers by about 50%, resulting in an additional effective repulsion. Furthermore, the transition from linear to ring polymers displays changes in the conformational and structural properties of the system. In fact, ring polymers adopt a markedly more ordered and aligned state than linear ones. The forces and accompanying changes in shape and alignment between ring polymers suggest an important regulatory function of such a topology in biopolymers. We conjecture that dynamic loop formation in chromatin might act as a versatile control mechanism regulating and maintaining different local states of compaction and order.Comment: 12 pages, 11 figures. The article has been accepted by The Journal Of Chemical Physics. After it is published, it will be found at http://jcp.aip.or

Nucleation in Systems with Elastic Forces

Systems with long-range interactions when quenced into a metastable state near the pseudo-spinodal exhibit nucleation processes that are quite different from the classical nucleation seen near the coexistence curve. In systems with long-range elastic forces the description of the nucleation process can be quite subtle due to the presence of bulk/interface elastic compatibility constraints. We analyze the nucleation process in a simple 2d model with elastic forces and show that the nucleation process generates critical droplets with a different structure than the stable phase. This has implications for nucleation in many crystal-crystal transitions and the structure of the final state

The instability of Alexander-McTague crystals and its implication for nucleation

We show that the argument of Alexander and McTague, that the bcc crystalline structure is favored in those crystallization processes where the first order character is not too pronounced, is not correct. We find that any solution that satisfies the Alexander-McTague condition is not stable. We investigate the implication of this result for nucleation near the pseudo- spinodal in near-meanfield systems.Comment: 20 pages, 0 figures, submitted to Physical Review

Phase Transitions in a Two-Component Site-Bond Percolation Model

A method to treat a N-component percolation model as effective one component model is presented by introducing a scaled control variable $p_{+}$. In Monte Carlo simulations on $16^{3}$, $32^{3}$, $64^{3}$ and $128^{3}$ simple cubic lattices the percolation threshold in terms of $p_{+}$ is determined for N=2. Phase transitions are reported in two limits for the bond existence probabilities $p_{=}$ and $p_{\neq}$. In the same limits, empirical formulas for the percolation threshold $p_{+}^{c}$ as function of one component-concentration, $f_{b}$, are proposed. In the limit $p_{=} = 0$ a new site percolation threshold, $f_{b}^{c} \simeq 0.145$, is reported.Comment: RevTeX, 5 pages, 5 eps-figure

Dynamic and static properties of the invaded cluster algorithm

Simulations of the two-dimensional Ising and 3-state Potts models at their critical points are performed using the invaded cluster (IC) algorithm. It is argued that observables measured on a sub-lattice of size l should exhibit a crossover to Swendsen-Wang (SW) behavior for l sufficiently less than the lattice size L, and a scaling form is proposed to describe the crossover phenomenon. It is found that the energy autocorrelation time tau(l,L) for an l*l sub-lattice attains a maximum in the crossover region, and a dynamic exponent z for the IC algorithm is defined according to tau_max ~ L^z. Simulation results for the 3-state model yield z=.346(.002) which is smaller than values of the dynamic exponent found for the SW and Wolff algorithms and also less than the Li-Sokal bound. The results are less conclusive for the Ising model, but it appears that z<.21 and possibly that tau_max ~ log L so that z=0 -- similar to previous results for the SW and Wolff algorithms.Comment: 21 pages with 12 figure

Chaotic scattering through coupled cavities

We study the chaotic scattering through an Aharonov-Bohm ring containing two cavities. One of the cavities has well-separated resonant levels while the other is chaotic, and is treated by random matrix theory. The conductance through the ring is calculated analytically using the supersymmetry method and the quantum fluctuation effects are numerically investigated in detail. We find that the conductance is determined by the competition between the mean and fluctuation parts. The dephasing effect acts on the fluctuation part only. The Breit-Wigner resonant peak is changed to an antiresonance by increasing the ratio of the level broadening to the mean level spacing of the random cavity, and the asymmetric Fano form turns into a symmetric one. For the orthogonal and symplectic ensembles, the period of the Aharonov-Bohm oscillations is half of that for regular systems. The conductance distribution function becomes independent of the ensembles at the resonant point, which can be understood by the mode-locking mechanism. We also discuss the relation of our results to the random walk problem.Comment: 13 pages, 9 figures; minor change