arXiv subjects

Wolfhard Janke

Publications and source records attributed to Wolfhard Janke.

At least 73 records · Page 4Linked to original sources

arXiv2017

Coarsening and Aging of Lattice Polymers: Influence of Bond Fluctuations

We present results for the nonequilibrium dynamics of collapse for a model flexible homopolymer on simple cubic lattices with fixed and fluctuating bonds between the monomers. Results from our Monte Carlo simulations show that, phenomenologically, the sequence of events observed during the collapse are independent of the bond criterion. While the growth of the clusters (of monomers) at different temperatures exhibits a nonuniversal power-law behavior when the bonds are fixed, the introduction of fluctuations in the bonds by considering the existence of diagonal bonds produces a temperature independent growth, which can be described by a universal nonequilibrium finite-size scaling function with a non-universal metric factor. We also examine the related aging phenomenon, probed by a suitable two-time density-density autocorrelation function showing a simple power-law scaling with respect to the growing cluster size. Unlike the cluster-growth exponent $α_c $, the nonequilibrium autocorrelation exponent $λ_C$ governing the aging during the collapse, however, is independent of the bond type and strictly follows the bounds proposed by two of us in Phys. Rev. E 93, 032506 (2016) at all temperatures.

cond-mat.soft↗

arXiv2017

Transition barrier at a first-order phase transition in the canonical and microcanonical ensemble

We compare the transition barrier that accompanies a first-order phase transition in the canonical and microcanonical ensemble. This is directly encoded in the probability distributions of standard Metropolis Monte Carlo simulations and a proper microcanonical sampling technique. For the example of droplet formation, we find that in both ensembles the transition barrier scales as expected but that the barrier is much smaller in the microcanonical ensemble. In addition its growth with system size is weaker which will enhance this difference for larger systems. We provide an intuitive physical explanation for this observation.

cond-mat.stat-mech↗

arXiv2017

Massively parallel multicanonical simulations

Generalized-ensemble Monte Carlo simulations such as the multicanonical method and similar techniques are among the most efficient approaches for simulations of systems undergoing discontinuous phase transitions or with rugged free- energy landscapes. As Markov chain methods, they are inherently serial computationally. It was demonstrated recently, however, that a combination of independent simulations that communicate weight updates at variable intervals allows for the efficient utilization of parallel computational resources for multicanonical simulations. Implementing this approach for the many-thread architecture provided by current generations of graphics processing units (GPUs), we show how it can be efficiently employed with of the order of $10^4$ parallel walkers and beyond, thus constituting a versatile tool for Monte Carlo simulations in the era of massively parallel computing. We provide the fully documented source code for the approach applied to the paradigmatic example of the two-dimensional Ising model as starting point and reference for practitioners in the field.

physics.comp-ph↗

arXiv2017

Exploring first-order phase transitions with population annealing

Population annealing is a hybrid of sequential and Markov chain Monte Carlo methods geared towards the efficient parallel simulation of systems with complex free-energy landscapes. Systems with first-order phase transitions are among the problems in computational physics that are difficult to tackle with standard methods such as local-update simulations in the canonical ensemble, for example with the Metropolis algorithm. It is hence interesting to see whether such transitions can be more easily studied using population annealing. We report here our preliminary observations from population annealing runs for the two-dimensional Potts model with $q > 4$, where it undergoes a first-order transition.

physics.comp-ph↗

arXiv2017

Convergence of Stochastic Approximation Monte Carlo and modified Wang-Landau algorithms: Tests for the Ising model

We investigate the behavior of the deviation of the estimator for the density of states (DOS) with respect to the exact solution in the course of Wang-Landau and Stochastic Approximation Monte Carlo (SAMC) simulations of the two-dimensional Ising model. We find that the deviation saturates in the Wang-Landau case. This can be cured by adjusting the refinement scheme. To this end, the 1/t-modification of the Wang-Landau algorithm has been suggested. A similar choice of refinement scheme is employed in the SAMC algorithm. The convergence behavior of all three algorithms is examined. It turns out that the convergence of the SAMC algorithm is very sensitive to the onset of the refinement. Finally, the internal energy and specific heat of the Ising model are calculated from the SAMC DOS and compared to exact values.

cond-mat.stat-mech↗

arXiv2017

Canonical free-energy barrier of particle and polymer cluster formation

A common approach to study nucleation rates is the estimation of free-energy barriers. This usually requires knowledge about the shape of the forming droplet, a task that becomes notoriously difficult in macromolecular setups starting with a proper definition of the cluster boundary. Here, we demonstrate a shape-free determination of the free energy for temperature-driven cluster formation in particle as well as polymer systems. Combined with rigorous results on equilibrium droplet formation, this allows for a well-defined finite-size scaling analysis of the effective interfacial free energy at fixed density. We first verify the theoretical predictions for the formation of a liquid droplet in a supersaturated particle gas by generalized-ensemble Monte Carlo simulations of a Lennard-Jones system. Going one step further, we then generalize this approach to cluster formation in a dilute polymer solution. Our results suggest an analogy with particle condensation, when the macromolecules are interpreted as extended particles.

cond-mat.stat-mech↗

arXiv2016

Effect of grafting on the binding transition of two flexible polymers

We investigate the binding transition of two flexible polymers grafted to a steric surface with closeby end points. While free polymers show a discontinuous transition, grafting to a steric flat surface leads to a continuous binding transition. This is supported by results from Metropolis and parallel multicanonical simulations. A combination of canonical and microcanonical analyses reveals that the change in transition order can be understood in terms of the reduced translational entropy of the unbound high-temperature phase upon grafting.

cond-mat.soft↗

arXiv2016

Plaquette Ising models, degeneracy and scaling

We review some recent investigations of the 3d plaquette Ising model. This displays a strong first-order phase transition with unusual scaling properties due to the size-dependent degeneracy of the low-temperature phase. In particular, the leading scaling correction is modified from the usual inverse volume behaviour 1/L^3 to 1/L^2. The degeneracy also has implications for the magnetic order in the model which has an intermediate nature between local and global order and gives rise to novel fracton topological defects in a related quantum Hamiltonian.

cond-mat.stat-mech↗

arXiv2016

Exact solutions to plaquette Ising models with free and periodic boundaries

An anisotropic limit of the 3d plaquette Ising model, in which the plaquette couplings in one direction were set to zero, was solved for free boundary conditions by Suzuki (Phys. Rev. Lett. 28 (1972) 507), who later dubbed it the fuki-nuke, or "no-ceiling", model. Defining new spin variables as the product of nearest-neighbour spins transforms the Hamiltonian into that of a stack of (standard) 2d Ising models and reveals the planar nature of the magnetic order, which is also present in the fully isotropic 3d plaquette model. More recently, the solution of the fuki-nuke model was discussed for periodic boundary conditions, which require a different approach to defining the product spin transformation, by Castelnovo et al. (Phys. Rev. B 81 (2010) 184303). We clarify the exact relation between partition functions with free and periodic boundary conditions expressed in terms of original and product spin variables for the 2d plaquette and 3d fuki-nuke models, noting that the differences are already present in the 1d Ising model. In addition, we solve the 2d plaquette Ising model with helical boundary conditions. The various exactly solved examples illustrate how correlations can be induced in finite systems as a consequence of the choice of boundary conditions.

cond-mat.stat-mech↗

arXiv2016

Dynamics of condensate formation in stochastic transport with pair-factorized steady states: Nucleation and coarsening time scales

Driven diffusive systems such as the zero-range process (ZRP) and the pair-factorized steady states (PFSS) stochastic transport process are versatile tools that lend themselves to the study of transport phenomena on a generic level. While their mathematical structure is simple enough to allow significant analytical treatment, they offer a variety of interesting phenomena. With appropriate dynamics, the ZRP and PFSS models feature a condensation transition where for a supercritical density the translational symmetry breaks spontaneously and excess particles form a single-site or spatially extended condensate, respectively. In this paper we numerically study the typical time scales of the two stages of this condensation process: Nucleation and coarsening. Nucleation is the first stage of condensation where the bulk system relaxes to its stationary distribution and droplet nuclei form in the system. These droplets then gradually grow or evaporate in the coarsening regime to finally coalesce in a single condensate when the system finally relaxes to the stationary state. We use the ZRP condensation model to discuss the choice of the estimation method for the nucleation time scale and present scaling exponents for the ZRP and PFSS condensation models with respect to the choice of the typical droplet mass. We then proceed to present scaling exponents in the coarsening regime of the ZRP for partial-asymmetric dynamics and the PFSS model for symmetric and asymmetric dynamics.

cond-mat.stat-mech↗

arXiv2016

Finite-size scaling of Lennard-Jones droplet formation at fixed density

We reaccess the droplet condensation-evaporation transition of a three-dimensional Lennard-Jones system upon a temperature change. With the help of parallel multicanonical simulations we obtain precise estimates of the transition temperature and the width of the transition for systems with up to 2048 particles. This allows us to supplement previous observations of finite-size scaling regimes with a clearer picture also for the case of a continuous particle model.

cond-mat.soft↗

arXiv2016

Numerical test of finite-size scaling predictions for the droplet condensation-evaporation transition

We numerically study the finite-size droplet condensation-evaporation transition in two dimensions. We consider and compare two orthogonal approaches, namely at fixed temperature and at fixed density, making use of parallel multicanonical simulations. The equivalence between Ising model and lattice gas allows us to compare to analytical predictions. We recover the known background density (at fixed temperature) and transition temperature (at fixed density) in the thermodynamic limit and compare our finite-size deviations to the predicted leading-order finite-size corrections.

cond-mat.stat-mech↗

arXiv2016

Emergence of dynamic phases in the presence of different kinds of open boundaries in stochastic transport with short-range interactions

We discuss the effects of open boundary conditions and boundary induced drift on condensation phenomena in the pair-factorized steady states transport process, a versatile model for stochastic transport with tunable nearest-neighbour interactions. Varying the specific type of the boundary implementation as well as the presence of a particle drift, we observe phase diagrams that are similar but richer compared to those of the simpler zero-range process with open boundary conditions. Tuning our model towards zero-range-process-like properties we are able to study boundary induced effects in the transition regime from zero-range interactions to short-range interactions. We discuss the emerging phase structure where spatially extended condensates can be observed at the boundaries as well as in the bulk system and compare it to the situation with periodic boundaries, where the dynamics leads to the formation of a single condensate in the bulk.

cond-mat.stat-mech↗

arXiv2016

Coarse-Grained Modeling of Genetic Circuits as a Function of the Inherent Time Scales

From a coarse-grained perspective the motif of a self-activating species, activating a second species which acts as its own repressor, is widely found in biological systems, in particular in genetic systems with inherent oscillatory behavior. Here we consider a specific realization of this motif as a genetic circuit, in which genes are described as directly producing proteins, leaving out the intermediate step of mRNA production. We focus on the effect that inherent time scales on the underlying fine-grained scale can have on the bifurcation patterns on a coarser scale in time. Time scales are set by the binding and unbinding rates of the transcription factors to the promoter regions of the genes. Depending on the ratio of these rates to the decay times of the proteins, the appropriate averaging procedure for obtaining a coarse-grained description changes and leads to sets of deterministic equations, which differ in their bifurcation structure. In particular the desired intermediate range of regular limit cycles fades away when the binding rates of genes are of the same order or less than the decay time of at least one of the proteins. Our analysis illustrates that the common topology of the widely found motif alone does not necessarily imply universal features in the dynamics.

physics.bio-ph↗

arXiv2016

Periodically driven DNA: Theory and simulation

We propose a generic model of driven DNA under the influence of an oscillatory force of amplitude $F$ and frequency $ν$ and show the existence of a dynamical transition for a chain of finite length. We find that the area of the hysteresis loop, $A_{\rm loop}$, scales with the same exponents as observed in a recent study based on a much more detailed model. However, towards the true thermodynamic limit, the high-frequency scaling regime extends to lower frequencies for larger chain length $L$ and the system has only one scaling ($A_{\rm loop} \approx ν^{-1}F^2)$. Expansion of an analytical expression for $A_{\rm loop}$ obtained for the model system in the low-force regime revealed that there is a new scaling exponent associated with force ($A_{\rm loop} \approx ν^{-1}F^{2.5}$), which has been validated by high-precision numerical calculation. By a combination of analytical and numerical arguments, we also deduce that for large but finite $L$, the exponents are robust and independent of temperature and friction coefficient.

cond-mat.soft↗

arXiv2015

A simple non-equilibrium, statistical-physics toy model of thin-film growth

We present a simple non-equilibrium model of mass condensation with Lennard-Jones interactions between particles and the substrate. We show that when some number of particles is deposited onto the surface and the system is left to equilibrate, particles condense into an island if the density of particles becomes higher than some critical density. We illustrate this with numerically obtained phase diagrams for three-dimensional systems. We also solve a two-dimensional counterpart of this model analytically and show that not only the phase diagram but also the shape of the cross-sections of three-dimensional condensates qualitatively matches the two-dimensional predictions. Lastly, we show that when particles are being deposited with a constant rate, the system has two phases: a single condensate for low deposition rates, and multiple condensates for fast deposition. The behaviour of our model is thus similar to that of thin film growth processes, and in particular to Stranski-Krastanov growth.

cond-mat.stat-mech↗

arXiv2015

Boundary drive induced formation of aggregate condensates in stochastic transport with short-range interactions

We discuss the effects of particle exchange through open boundaries and the induced drive on the phase structure and condensation phenomena of a stochastic transport process with tunable short-range interactions featuring pair-factorized steady states (PFSS) in the closed system. In this model, the steady state of the particle hopping process can be tuned to yield properties from the zero-range process (ZRP) condensation model to those of models with spa- tially extended condensates. By varying the particle exchange rates as well as the presence of a global drift, we observe a phase transition from a free particle gas to a phase with condensates aggregated to the boundaries. While this transition is similar to previous results for the ZRP, we find that the mechanism is different as the presence of the boundary actually influences the interaction due to the non-zero interaction range.

cond-mat.stat-mech↗

arXiv2015

Exploring different regimes in finite-size scaling of the droplet condensation-evaporation transition

We present a finite-size scaling analysis of the droplet condensation-evaporation transition of a lattice gas (in two and three dimensions) and a Lennard-Jones gas (in three dimensions) at fixed density. Parallel multicanonical simulations allow sampling of the required system sizes with precise equilibrium estimates. In the limit of large systems, we verify the theoretical leading-order scaling prediction for both the transition temperature and the finite-size rounding. In addition, we present an emerging intermediate scaling regime, consistent in all considered cases and with similar recent observations for polymer aggregation. While the intermediate regime locally may show a different effective scaling, we show that it is a gradual crossover to the large-system scaling behavior by including empirical higher-order corrections. This implies that care has to be taken when considering scaling ranges, possibly leading to completely wrong predictions for the thermodynamic limit. In this study, we consider a crossing of the phase boundary orthogonal to the usual fixed temperature studies. We show that this is an equivalent approach and, under certain conditions, may show smaller finite-size corrections.

cond-mat.soft↗