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

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

Comments on Sweeny and Gliozzi dynamics for simulations of Potts models in the Fortuin-Kasteleyn representation

We compare the correlation times of the Sweeny and Gliozzi dynamics for two-dimensional Ising and three-state Potts models, and the three-dimensional Ising model for the simulations in the percolation prepresentation. The results are also compared with Swendsen-Wang and Wolff cluster dynamics. It is found that Sweeny and Gliozzi dynamics have essentially the same dynamical critical behavior. Contrary to Gliozzi's claim (cond-mat/0201285), the Gliozzi dynamics has critical slowing down comparable to that of other cluster methods. For the two-dimensional Ising model, both Sweeny and Gliozzi dynamics give good fits to logarithmic size dependences; for two-dimensional three-state Potts model, their dynamical critical exponent z is 0.49(1); the three-dimensional Ising model has z = 0.37(2).Comment: RevTeX, 4 pages, 5 figure

Simulations of grafted polymers in a good solvent

We present improved simulations of three-dimensional self avoiding walks with one end attached to an impenetrable surface on the simple cubic lattice. This surface can either be a-thermal, having thus only an entropic effect, or attractive. In the latter case we concentrate on the adsorption transition, We find clear evidence for the cross-over exponent to be smaller than 1/2, in contrast to all previous simulations but in agreement with a re-summed field theoretic $\epsilon$-expansion. Since we use the pruned-enriched Rosenbluth method (PERM) which allows very precise estimates of the partition sum itself, we also obtain improved estimates for all entropic critical exponents.Comment: 5 pages with 9 figures included; minor change

Superdiffusion in a Model for Diffusion in a Molecularly Crowded Environment

We present a model for diffusion in a molecularly crowded environment. The model consists of random barriers in percolation network. Random walks in the presence of slowly moving barriers show normal diffusion for long times, but anomalous diffusion at intermediate times. The effective exponents for square distance versus time usually are below one at these intermediate times, but can be also larger than one for high barrier concentrations. Thus we observe sub- as well as super-diffusion in a crowded environment.Comment: 8 pages including 4 figure

Mathematical modeling reveals threshold mechanism in CD95-induced apoptosis

Mathematical modeling is required for understanding the complex behavior of large signal transduction networks. Previous attempts to model signal transduction pathways were often limited to small systems or based on qualitative data only. Here, we developed a mathematical modeling framework for understanding the complex signaling behavior of CD95(APO-1/Fas)-mediated apoptosis. Defects in the regulation of apoptosis result in serious diseases such as cancer, autoimmunity, and neurodegeneration. During the last decade many of the molecular mechanisms of apoptosis signaling have been examined and elucidated. A systemic understanding of apoptosis is, however, still missing. To address the complexity of apoptotic signaling we subdivided this system into subsystems of different information qualities. A new approach for sensitivity analysis within the mathematical model was key for the identification of critical system parameters and two essential system properties: modularity and robustness. Our model describes the regulation of apoptosis on a systems level and resolves the important question of a threshold mechanism for the regulation of apoptosis

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

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

Monte Carlo study of the magnetic critical properties of the two-dimensional Ising fluid

A two-dimensional fluid of hard spheres each having a spin $\pm 1$ and interacting via short-range Ising-like interaction is studied near the second order phase transition from the paramagnetic gas to the ferromagnetic gas phase. Monte Carlo simulation technique and the multiple histogram data analysis were used. By measuring the finite-size behaviour of several different thermodynamic quantities,we were able to locate the transition and estimate values of various static critical exponents. The values of exponents $\beta/\nu$ and $\gamma/\nu$ are close to the ones for the two-dimensional lattice Ising model. However, our result for the exponent $\nu =1.35$ is very different from the one for the Ising universality class.Comment: 6 pages, 8 figures. To appear in Phys. Rev.