Search results for "Statistical physics"
showing 10 items of 1402 documents
Unfolding dynamics of small peptides biased by constant mechanical forces
2018
We show how multi-ensemble Markov state models can be combined with constant-force equilibrium simulations. Besides obtaining the unfolding/folding rates, Markov state models allow gaining detailed insights into the folding dynamics and pathways through identifying folding intermediates and misfolded structures. For two specific peptides, we demonstrate that the end-to-end distance is an insufficient reaction coordinate. This problem is alleviated through constructing models with multiple collective variables, for which we employ the time-lagged independent component analysis requiring only minimal prior knowledge. Our results show that combining Markov state models with constant-force simu…
Separatrix reconstruction to identify tipping points in an eco-epidemiological model
2018
Many ecological systems exhibit tipping points such that they suddenly shift from one state to another. These shifts can be devastating from an ecological point of view, and additionally have severe implications for the socio-economic system. They can be caused by overcritical perturbations of the state variables such as external shocks, disease emergence, or species removal. It is therefore important to be able to quantify the tipping points. Here we present a study of the tipping points by considering the basins of attraction of the stable equilibrium points. We address the question of finding the tipping points that lie on the separatrix surface, which partitions the space of system traj…
Spectral Moments and Pre-Envelope Covariances of Nonseparable Processes
1990
A critical review of the definition of the spectral moments of a stochastic process in the nonstationary case is presented. An adequate time-domain representation of the spectral moments in the stationary case is first established, showing that the spectral moments are related to the variances of the stationary analytical pre-envelope processes. The extension to the nonstationary case is made in the time domain evaluating the covariances of the nonstationary pre-envelope showing the differences between the proposed definition and the classical one made introducing the evolutionary power.
Nature of crossover from classical to Ising-like critical behavior
1998
We present an accurate numerical determination of the crossover from classical to Ising-like critical behavior upon approach of the critical point in three-dimensional systems. The possibility to vary the Ginzburg number in our simulations allows us to cover the entire crossover region. We employ these results to scrutinize several semi-phenomenological crossover scaling functions that are widely used for the analysis of experimental results. In addition we present strong evidence that the exponent relations do not hold between effective exponents.
Stability measures in metastable states with Gaussian colored noise
2009
We present a study of the escape time from a metastable state of an overdamped Brownian particle, in the presence of colored noise generated by Ornstein-Uhlenbeck process. We analyze the role of the correlation time on the enhancement of the mean first passage time through a potential barrier and on the behavior of the mean growth rate coefficient as a function of the noise intensity. We observe the noise enhanced stability effect for all the initial unstable states used, and for all values of the correlation time $\tau_c$ investigated. We can distinguish two dynamical regimes characterized by weak and strong correlated noise respectively, depending on the value of $\tau_c$ with respect to …
First-order interface localization-delocalization transition in thin Ising films using Wang-Landau sampling
2004
Using extensive Monte Carlo simulations, we study the interface localization- delocalization transition of a thin Ising film with antisymmetric competing walls for a set of parameters where the transition is strongly first-order. This is achieved by estimating the density of states (DOS) of the model by means of Wang-Landau sampling (WLS) in the space of energy, using both, single-spin-flip as well as N-fold way updates. From the DOS we calculate canonical averages related to the configurational energy, like the internal energy, the specific heat, as well as the free energy and the entropy. By sampling microcanonical averages during simulations we also compute thermodynamic quantities relat…
Cross Correlations in Scaling Analyses of Phase Transitions
2008
Thermal or finite-size scaling analyses of importance sampling Monte Carlo time series in the vicinity of phase transition points often combine different estimates for the same quantity, such as a critical exponent, with the intent to reduce statistical fluctuations. We point out that the origin of such estimates in the same time series results in often pronounced cross-correlations which are usually ignored even in high-precision studies, generically leading to significant underestimation of statistical fluctuations. We suggest to use a simple extension of the conventional analysis taking correlation effects into account, which leads to improved estimators with often substantially reduced …
Signatures of noise-enhanced stability in metastable state
2005
The lifetime of a metastable state in the transient dynamics of an overdamped Brownian particle is analyzed, both in terms of the mean first passage time and by means of the mean growth rate coefficient. Both quantities feature non monotonic behaviors as a function of the noise intensity, and are independent signatures of the noise enhanced stability effect. They can therefore be alternatively used to evaluate and estimate the presence of this phenomenon, which characterizes metastability in nonlinear physical systems.
Hunting active Brownian particles: Learning optimal behavior
2021
We numerically study active Brownian particles that can respond to environmental cues through a small set of actions (switching their motility and turning left or right with respect to some direction) which are motivated by recent experiments with colloidal self-propelled Janus particles. We employ reinforcement learning to find optimal mappings between the state of particles and these actions. Specifically, we first consider a predator-prey situation in which prey particles try to avoid a predator. Using as reward the squared distance from the predator, we discuss the merits of three state-action sets and show that turning away from the predator is the most successful strategy. We then rem…
Finite-size effects in dynamics of zero-range processes
2010
The finite-size effects prominent in zero-range processes exhibiting a condensation transition are studied by using continuous-time Monte Carlo simulations. We observe that, well above the thermodynamic critical point, both static and dynamic properties display fluid-like behavior up to a density {\rho}c (L), which is the finite-size counterpart of the critical density {\rho}c = {\rho}c (L \rightarrow \infty). We determine this density from the cross-over behavior of the average size of the largest cluster. We then show that several dynamical characteristics undergo a qualitative change at this density. In particular, the size distribution of the largest cluster at the moment of relocation,…