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Biomedical subjects

G Nicolis

Publications and source records attributed to G Nicolis.

At least 19 recordsLinked to original sources

Extreme events in deterministic dynamical systems.

The principal signatures of a deterministic dynamics in the statistical properties of extreme events are identified. Explicit expressions are derived for generic classes of dynamical systems giving rise to quasiperiodic, strongly chaotic, and intermittent chaotic behaviors.

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Propagating waves in one-dimensional discrete networks of coupled units.

We investigate the behavior of discrete systems on a one-dimensional lattice composed of localized units interacting with each other through nonlocal, nonlinear reactive dynamics. In the presence of second-order and third-order steps coupling two or three neighboring sites, respectively, we observe, for appropriate initial conditions, the propagation of waves which subsist in the absence of mass transfer by diffusion. For the case of the third-order (bistable) model, a counterintuitive effect is also observed, whereby the homogeneously less stable state invades the more stable one under certain conditions. In the limit of a continuous space the dynamics of these networks is described by a generic evolution equation, from which some analytical predictions can be extracted. The relevance of this mode of information transmission in spatially extended systems of interest in physical chemistry and biology is discussed.

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Lattice model of the early stages of the electrification of a cloud.

The early stages of the microphysics of the electrification process within a cloud are considered using a two-dimensional lattice model. Using insights generated from Monte Carlo simulations and the theory of finite Markov processes, the mean walk length statistics of the particles, the instantaneous electric potential and electric field profiles, the time evolution of electrostatic energy and their dependence on system size are studied. Some unexpected features of the kinetics of electrification and of the statistics of crossings of the threshold for an electric discharge to occur are brought out.

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Transitions across a barrier induced by deterministic forcings.

The response of a bistable dynamical system to a deterministic forcing is studied with emphasis on the kinetics of the passage across the barrier separating the two states, and compared to classical Kramers' theory describing the response to a Gaussian white noise forcing. The existence of nontrivial thresholds for the occurrence of transitions is established. Analytic results complemented by numerical simulations are derived for the characteristics of these transitions for periodic and chaotic forcings. The probabilistic properties of the response are finally addressed and some connections are established with the universal stable distributions of probability theory.

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Geometrical effects in protein nucleation.

To understand the importance of protein anisotropy and the influence of translational and rotational degrees of freedom on the nucleation event, we calculate numerically-exact values for the mean encounter time for two non-spherically symmetric molecules to form a cluster, regarded here as a precursor to nucleation. A lattice model is formulated in which the asymmetry of the molecules is accounted for by representing each as a 'dimer' in the sense that each molecule is specified to occupy two lattice sites. The two dimers undergo simultaneously translation and/or rotation, and the mean times for their encounter are determined. Exact numerical results are obtained for small lattices via application of the theory of finite Markov processes, and the results corroborated and extended to large lattices by performing Monte Carlo simulations. These calculations allow one to understand in a detailed way the interplay among geometrical anisotropy, translational and internal (rotational) degrees of freedom and system size in influencing the seminal nucleation event.

Crystallization↗

Three-state model for cooperative desorption on a one-dimensional lattice.

We develop a master equation approach to the dynamics of immobile reactants on a one-dimensional lattice, in the presence of two different species undergoing cooperative desorption. A common feature of all the schemes studied is the strong dependence of the final coverage on the initial conditions, associated with the lack of ergodicity of the invariant state. Our approach leads to full agreement with Monte Carlo simulations, both asymptotically and transiently.

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Moment evolution and level-crossing statistics in dichotomous and multilevel flows with time-dependent control parameters.

We study the dynamics of the first two moments and of threshold crossings by the stochastic trajectory in dichotomous diffusion x=xi(t), where xi(t) is a dichotomous Markov process. The transition rate of the latter is regarded as a control parameter and allowed to have specified time variations. The stabilizing or destabilizing effect of this variation is demonstrated, and qualitative changes in the statistical properties of the system are shown to occur. The analysis is then extended to linear dichotomous flow, and to a generalization of dichotomous diffusion in which x is driven by a multilevel Markov noise.

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Dissipation in Laplacian fields across irregular boundaries.

The entropy production associated to a Laplacian field distributed across irregular boundaries is studied. In the context of the active zone approximation an explicit expression is given for the entropy production in terms of geometry, whose relation to the variational formulation is discussed. It is shown that the entropy production diminishes for successive prefractal generations of the same fractal generator, so that the final fractal object is expected to dissipate less than all previous ones. The relevance of this result in the abundance of fractal surfaces or interfaces observed in nature is discussed.

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Nonlinear reactive systems on a lattice viewed as Boolean dynamical systems.

We present a stochastic, time-discrete Boolean model that mimics the mesoscopic dynamics of the desorption reactions A+A-->A+S and A+A-->S+S in a one-dimensional lattice. In the continuous-time limit, we derive a hierarchy of dynamical equations for the subset of moments involving contiguous lattice sites. The solution of the hierarchy allows to compute the exact dynamics of the mean coverage for both microscopic and coarse-grained initial conditions, which turn out to be different from the mean field predictions. The evolution equations for the mean coverage and the second-order moments are shown to be equivalent to those provided by a time-continuous master equation. The important role of higher-order fluctuations is brought out by the failure of a truncation scheme retaining only two-particle fluctuation correlations.

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Thermostating by deterministic scattering: construction of nonequilibrium steady states

We present a novel approach for constructing nonequilibrium steady states. It is based on a deterministic and time-reversible mechanism for dissipating energy from a subsystem into a thermal reservoir. The key idea is to thermalize a moving particle by appropriately modeling its microscopic collision rules with a boundary mimicking a thermal reservoir with arbitrarily many degrees of freedom. We demonstrate our method for the periodic Lorentz gas with an external electric field. By applying our thermostat we do not find an ergodic breakdown with increasing field strength.

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Passage through a barrier with a slowly increasing control parameter

A bistable system subjected to noise and a slow increase of the parameter controlling the instability is studied, with emphasis on the kinetics of the transitions across the barrier separating the stable states. It is shown that the presence of a ramp in the control parameter may considerably affect the distribution of probability mass on the two sides of the barrier as compared to the predictions of the classical Kramers theory.

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Thermostating by deterministic scattering: heat and shear flow.

We apply a recently proposed thermostating mechanism to an interacting many-particle system where the bulk particles are moving according to Hamiltonian dynamics. At the boundaries the system is thermalized by deterministic and time-reversible scattering. We first show how this scattering mechanism can be related to stochastic boundary conditions. We subsequently simulate thermal conduction and shear flow for a hard disk fluid. By comparing the transport coefficients obtained from computer simulations to theoretical results we find that this thermostating mechanism yields well-defined nonequilibrium steady states in the range of linear response. Furthermore, the conjectured identity between thermodynamic entropy production and exponential phase-space contraction rates is investigated from the standpoint of our formalism. We find that, in general, these quantities do not agree.

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Reaction-controlled cooperative desorption in a one-dimensional lattice: a dynamical approach.

The spinlike dynamics of immobile reactants in a one-dimensional lattice is analyzed for two representative systems involving cooperative desorption. An exact combinatorial approach is worked out. Its failure to reproduce the results of microscopic simulations is shown to be associated with the lack of sufficiently strong ergodic properties, as a result of which the final state depends strongly on the initial conditions. A dynamical approach to the problem based on the Master equation description is subsequently developed, leading to full agreement with the microscopic simulations.

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