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Motivated by the sidewise motions of dynein motors shown in experiments, we use a variant of the exclusion process to model the multistep dynamics of dyneins on a cylinder with open ends. Due to the varied step sizes of the particles in a quasi-two-dimensional topology, we observe the emergence of a novel phase diagram depending on the various load conditions. Under high-load conditions, our numerical findings yield results similar to the TASEP model with the presence of all three standard TASEP phases, namely the low-density (LD), high-density (HD), and maximal-current (MC) phases. However, for medium- to low-load conditions, for all chosen influx and outflux rates, we only observe the LD and HD phases, and the maximal-current phase disappears. Further, we also measure the dynamics for a single dynein particle which is logarithmically slower than a TASEP particle with a shorter waiting time. Our results also confirm experimental observations of the dwell time distribution: The dwell time distribution for dyneins is exponential in less crowded conditions, whereas a double exponential emerges under overcrowded conditions.
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We employ Monte Carlo simulations to study a stochastic Lotka-Volterra model on a two-dimensional square lattice with periodic boundary conditions. If the (local) prey carrying capacity is finite, there exists an extinction threshold for the predator population that separates a stable active two-species coexistence phase from an inactive state wherein only prey survive. Holding all other rates fixed, we investigate the non-equilibrium relaxation of the predator density in the vicinity of the critical predation rate. As expected, we observe critical slowing-down, i.e., a power law dependence of the relaxation time on the predation rate, and algebraic decay of the predator density at the extinction critical point. The numerically determined critical exponents are in accord with the established values of the directed percolation universality class. Following a sudden predation rate change to its critical value, one finds critical aging for the predator density autocorrelation function that is also governed by universal scaling exponents. This aging scaling signature of the active-to-absorbing state phase transition emerges at significantly earlier times than the stationary critical power laws, and could thus serve as an advanced indicator of the (predator) population's proximity to its extinction threshold.
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Conducta Predatoria , Animales , Simulación por Computador , Modelos Biológicos , Método de Montecarlo , Dinámica Poblacional , Procesos EstocásticosRESUMEN
Surface plasmon resonance (SPR) chips are widely used to measure association and dissociation rates for the binding kinetics between two species of chemicals, e.g., cell receptors and ligands. It is commonly assumed that ligands are spatially well mixed in the SPR region, and hence a mean-field rate equation description is appropriate. This approximation however ignores the spatial fluctuations as well as temporal correlations induced by multiple local rebinding events, which become prominent for slow diffusion rates and high binding affinities. We report detailed Monte Carlo simulations of ligand binding kinetics in an SPR cell subject to laminar flow. We extract the binding and dissociation rates by means of the techniques frequently employed in experimental analysis that are motivated by the mean-field approximation. We find major discrepancies in a wide parameter regime between the thus extracted rates and the known input simulation values. These results underscore the crucial quantitative importance of spatio-temporal correlations in binary reaction kinetics in SPR cell geometries, and demonstrate the failure of a mean-field analysis of SPR cells in the regime of high Damköhler number [Formula: see text], where the spatio-temporal correlations due to diffusive transport and ligand-receptor rebinding events dominate the dynamics of SPR systems.
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Método de Montecarlo , Receptores de Superficie Celular/metabolismo , Resonancia por Plasmón de Superficie , Simulación por Computador , Difusión , Diseño de Equipo , Cinética , Ligandos , Resonancia por Plasmón de Superficie/instrumentaciónRESUMEN
Stochastic reaction-diffusion models are employed to represent many complex physical, biological, societal, and ecological systems. The macroscopic reaction rates describing the large-scale, long-time kinetics in such systems are effective, scale-dependent renormalized parameters that need to be either measured experimentally or computed by means of a microscopic model. In a Monte Carlo simulation of stochastic reaction-diffusion systems, microscopic probabilities for specific events to happen serve as the input control parameters. To match the results of any computer simulation to observations or experiments carried out on the macroscale, a mapping is required between the microscopic probabilities that define the Monte Carlo algorithm and the macroscopic reaction rates that are experimentally measured. Finding the functional dependence of emergent macroscopic rates on the microscopic probabilities (subject to specific rules of interaction) is a very difficult problem, and there is currently no systematic, accurate analytical way to achieve this goal. Therefore, we introduce a straightforward numerical method of using lattice Monte Carlo simulations to evaluate the macroscopic reaction rates by directly obtaining the count statistics of how many events occur per simulation time step. Our technique is first tested on well-understood fundamental examples, namely, restricted birth processes, diffusion-limited two-particle coagulation, and two-species pair annihilation kinetics. Next we utilize the thus gained experience to investigate how the microscopic algorithmic probabilities become coarse-grained into effective macroscopic rates in more complex model systems such as the Lotka-Volterra model for predator-prey competition and coexistence, as well as the rock-paper-scissors or cyclic Lotka-Volterra model and its May-Leonard variant that capture population dynamics with cyclic dominance motifs. Thereby we achieve a more thorough and deeper understanding of coarse graining in spatially extended stochastic reaction-diffusion systems and the nontrivial relationships between the associated microscopic and macroscopic model parameters, with a focus on ecological systems. The proposed technique should generally provide a useful means to better fit Monte Carlo simulation results to experimental or observational data.
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We investigate the competing effects and relative importance of intrinsic demographic and environmental variability on the evolutionary dynamics of a stochastic two-species Lotka-Volterra model by means of Monte Carlo simulations on a two-dimensional lattice. Individuals are assigned inheritable predation efficiencies; quenched randomness in the spatially varying reaction rates serves as environmental noise. We find that environmental variability enhances the population densities of both predators and prey while demographic variability leads to essentially neutral optimization.
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Modelos Biológicos , Conducta Predatoria , Animales , Ecosistema , Método de Montecarlo , Procesos EstocásticosRESUMEN
We study the stochastic spatial Lotka-Volterra model for predator-prey interaction subject to a periodically varying carrying capacity. The Lotka-Volterra model with on-site lattice occupation restrictions (i.e., finite local carrying capacity) that represent finite food resources for the prey population exhibits a continuous active-to-absorbing phase transition. The active phase is sustained by the existence of spatiotemporal patterns in the form of pursuit and evasion waves. Monte Carlo simulations on a two-dimensional lattice are utilized to investigate the effect of seasonal variations of the environment on species coexistence. The results of our simulations are also compared to a mean-field analysis in order to specifically delineate the impact of stochastic fluctuations and spatial correlations. We find that the parameter region of predator and prey coexistence is enlarged relative to the stationary situation when the carrying capacity varies periodically. The (quasi-)stationary regime of our periodically varying Lotka-Volterra predator-prey system shows qualitative agreement between the stochastic model and the mean-field approximation. However, under periodic carrying capacity-switching environments, the mean-field rate equations predict period-doubling scenarios that are washed out by internal reaction noise in the stochastic lattice model. Utilizing visual representations of the lattice simulations and dynamical correlation functions, we study how the pursuit and evasion waves are affected by ensuing resonance effects. Correlation function measurements indicate a time delay in the response of the system to sudden changes in the environment. Resonance features are observed in our simulations that cause prolonged persistent spatial correlations. Different effective static environments are explored in the extreme limits of fast and slow periodic switching. The analysis of the mean-field equations in the fast-switching regime enables a semiquantitative description of the (quasi-)stationary state.
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We employ Monte Carlo simulations to study the nonequilibrium relaxation of driven Ising lattice gases in two dimensions. Whereas the temporal scaling of the density autocorrelation function in the nonequilibrium steady state does not allow a precise measurement of the critical exponents, these can be accurately determined from the aging scaling of the two-time autocorrelations and the order parameter evolution following a quench to the critical point. We obtain excellent agreement with renormalization group predictions based on the standard Langevin representation of driven Ising lattice gases.
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We investigate how site dilution, as would be introduced by immunization, affects the properties of the active-to-absorbing nonequilibrium phase transition in the paradigmatic susceptible-infectious-recovered (SIR) model on regular cubic lattices. According to the Harris criterion, the critical behavior of the SIR model, which is governed by the universal scaling exponents of the dynamic isotropic percolation (DyIP) universality class, should remain unaltered after introducing impurities. However, when the SIR reactions are simulated for immobile agents on two- and three-dimensional lattices subject to quenched disorder, we observe a wide crossover region characterized by varying effective exponents. Only after a sufficient increase of the lattice sizes does it become clear that the SIR system must transition from that crossover regime before the effective critical exponents asymptotically assume the expected DyIP values. We attribute the appearance of this exceedingly long crossover to a time lag in a complete recovery of small disconnected clusters of susceptible sites, which are apt to be generated when the system is prepared with Poisson-distributed quenched disorder. Finally, we demonstrate that this transient region becomes drastically diminished when we significantly increase the value of the recovery rate or enable diffusive agent mobility through short-range hopping.
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We study the near-equilibrium critical dynamics of the O(3) nonlinear sigma model describing isotropic antiferromagnets with a nonconserved order parameter reversibly coupled to the conserved total magnetization. To calculate response and correlation functions, we set up a description in terms of Langevin stochastic equations of motion, and their corresponding Janssen-De Dominicis response functional. We find that in equilibrium, the dynamics is well-separated from the statics, at least to one-loop order in a perturbative treatment with respect to the static and dynamical nonlinearities. Since the static nonlinear sigma model must be analyzed in a dimensional d=2+É expansion about its lower critical dimension d_{lc}=2, whereas the dynamical mode-coupling terms are governed by the upper critical dimension d_{c}=4, a simultaneous perturbative dimensional expansion is not feasible, and the reversible critical dynamics for this model cannot be accessed at the static critical renormalization group fixed point. However, in the coexistence limit addressing the long-wavelength properties of the low-temperature ordered phase, we can perform an ε=4-d expansion near d_{c}. This yields anomalous scaling features induced by the massless Goldstone modes, namely subdiffusive relaxation for the conserved magnetization density with asymptotic scaling exponent z_{Γ}=d-2, which may be observable in neutron scattering experiments. Intriguingly, if initialized near the critical point, the renormalization group flow for the effective dynamical exponents recovers their universal critical values z_{c}=d/2 in an intermediate crossover region.
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Once an epidemic outbreak has been effectively contained through non-pharmaceutical interventions, a safe protocol is required for the subsequent release of social distancing restrictions to prevent a disastrous resurgence of the infection. We report individual-based numerical simulations of stochastic susceptible-infectious-recovered model variants on four distinct spatially organized lattice and network architectures wherein contact and mobility constraints are implemented. We robustly find that the intensity and spatial spread of the epidemic recurrence wave can be limited to a manageable extent provided release of these restrictions is delayed sufficiently (for a duration of at least thrice the time until the peak of the unmitigated outbreak) and long-distance connections are maintained on a low level (limited to less than five percent of the overall connectivity).
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COVID-19/prevención & control , Distanciamiento Físico , COVID-19/epidemiología , Control de Enfermedades Transmisibles , Enfermedades Transmisibles/epidemiología , Epidemias , HumanosRESUMEN
We numerically investigate the nonequilibrium critical dynamics in three-dimensional anisotropic antiferromagnets in the presence of an external magnetic field. The phase diagram of this system exhibits two critical lines that meet at a bicritical point. The nonconserved components of the staggered magnetization order parameter couple dynamically to the conserved component of the magnetization density along the direction of the external field. Employing a hybrid computational algorithm that combines reversible spin precession with relaxational Monte Carlo updates, we study the aging scaling dynamics for the model C critical line, identifying the critical initial slip, autocorrelation, and aging exponents for both the order parameter and the conserved field, thus also verifying the dynamic critical exponent. We further probe the model F critical line by investigating the system size dependence of the characteristic spin wave frequencies near criticality and measure the dynamic critical exponents for the order parameter including its aging scaling at the bicritical point.
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Control of generically scale-invariant systems, i.e., targeting specific cooperative features in nonlinear stochastic interacting systems with many degrees of freedom subject to strong fluctuations and correlations that are characterized by power laws, remains an important open problem. We study the control of surface roughness during a growth process described by the Kardar-Parisi-Zhang (KPZ) equation in (1+1) dimensions. We achieve the saturation of the mean surface roughness to a prescribed value using nonlinear feedback control. Numerical integration is performed by means of the pseudospectral method, and the results are used to investigate the coupling effects of controlled (linear) and uncontrolled (nonlinear) KPZ dynamics during the control process. While the intermediate time kinetics is governed by KPZ scaling, at later times a linear regime prevails, namely the relaxation toward the desired surface roughness. The temporal crossover region between these two distinct regimes displays intriguing scaling behavior that is characterized by nontrivial exponents and involves the number of controlled Fourier modes. Due to the control, the height probability distribution becomes negatively skewed, which affects the value of the saturation width.
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The contact process with diffusion (PCPD) defined by the binary reactions B+BâB+B+B, B+Bâ∅ and diffusive particle spreading exhibits an unusual active to absorbing phase transition whose universality class has long been disputed. Multiple studies have indicated that an explicit account of particle pair degrees of freedom may be required to properly capture this system's effective long-time, large-scale behavior. We introduce a two-species representation for the PCPD in which single particles B and particle pairs A are dynamically coupled according to the stochastic reaction processes B+BâA, AâA+B, Aâ∅, and AâB+B, with each particle type diffusing independently. Mean-field analysis reveals that the phase transition of this model is driven by competition and balance between the two species. We employ Monte Carlo simulations in one, two, and three dimensions to demonstrate that this model consistently captures the pertinent features of the PCPD. In the inactive phase, A particles rapidly go extinct, effectively leaving the B species to undergo pure diffusion-limited pair annihilation kinetics B+Bâ∅. At criticality, both A and B densities decay with the same exponents (within numerical errors) as the corresponding order parameters of the original PCPD, and display mean-field scaling above the upper critical dimension d_{c}=2. In one dimension, the critical exponents for the B species obtained from seed simulations also agree well with previously reported exponent value ranges. We demonstrate that the scaling properties of consecutive particle pairs in the PCPD are identical with that of the A species in the coupled model. This two-species picture resolves the conceptual difficulty for seed simulations in the original PCPD and naturally introduces multiple length scales and timescales to the system, which are also the origin of strong corrections to scaling. The extracted moment ratios from our simulations indicate that our model displays the same temporal crossover behavior as the PCPD, which further corroborates its full dynamical equivalence with our coupled model.
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We numerically investigate nucleation processes in the transient dynamics of the two-dimensional complex Ginzburg-Landau equation toward its "frozen" state with quasistationary spiral structures. We study the transition kinetics from either the defect turbulence regime or random initial configurations to the frozen state with a well-defined low density of quasistationary topological defects. Nucleation events of spiral structures are monitored using the characteristic length between the emerging shock fronts. We study two distinct situations, namely when the system is quenched either far from the transition limit or near it. In the former deeply quenched case, the average nucleation time for different system sizes is measured over many independent realizations. We employ an extrapolation method as well as a phenomenological formula to account for and eliminate finite-size effects. The nonzero (dimensionless) barrier for the nucleation of single spiral droplets in the extrapolated infinite system size limit suggests that the transition to the frozen state is discontinuous. We also investigate the nucleation of spirals for systems that are quenched close to but beyond the crossover limit and of target waves which emerge if a specific spatial inhomogeneity is introduced. In either of these cases, we observe long, "fat" tails in the distribution of nucleation times, which also supports a discontinuous transition scenario.
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The statistical analysis of the collective neural activity known as avalanches provides insight into the proper behavior of brains across many species. We consider a neural network model based on the work of Lombardi, Herrmann, De Arcangelis et al. that captures the relevant dynamics of neural avalanches, and we show how tuning the fraction of inhibitory neurons in this model alters the connectivity of the network over time, removes exponential cut-offs present in the distributions of avalanche size and duration, and transitions the power spectral density of the network into an "epileptic" regime. We propose that the brain operates away from this power-law regime of low inhibitory fraction to protect itself from the dominating avalanches present in these extended distributions. We present control strategies that curtail these power-law distributions through either random or, more effectively, targeted disabling of excitatory neurons.
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We explore the intriguing spatial patterns that emerge in a two-dimensional spatially inhomogeneous Katz-Lebowitz-Spohn (KLS) driven lattice gas with attractive nearest-neighbor interactions. The domain is split into two regions with hopping rates governed by different temperatures T>T_{c} and T_{c}, respectively, where T_{c} indicates the critical temperature for phase ordering, and with the temperature boundaries oriented perpendicular to the drive. In the hotter region, the system behaves like the (totally) asymmetric exclusion processes (TASEP), and experiences particle blockage in front of the interface to the critical region. To explain this particle density accumulation near the interface, we have measured the steady-state current in the KLS model at T>T_{c} and found it to decay as 1/T. In analogy with TASEP systems containing "slow" bonds, we argue that transport in the high-temperature subsystem is impeded by the lower current in the cooler region, which tends to set the global stationary particle current value. This blockage is induced by the extended particle clusters, growing logarithmically with system size, in the critical region. We observe the density profiles in both high- and low-temperature subsystems to be similar to the well-characterized coexistence and maximal-current phases in (T)ASEP models with open boundary conditions, which are respectively governed by hyperbolic and trigonometric tangent functions. Yet if the lower temperature is set to T_{c}, we detect marked fluctuation corrections to the mean-field density profiles, e.g., the corresponding critical KLS power-law density decay near the interfaces into the cooler region.
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Great strides have been made in the understanding of complex networks; however, our understanding of natural microecologies is limited. Modelling of complex natural ecological systems has allowed for new findings, but these models typically ignore the constant evolution of species. Due to the complexity of natural systems, unanticipated interactions may lead to erroneous conclusions concerning the role of specific molecular components. To address this, we use a synthetic system to understand the spatiotemporal dynamics of growth and to study acquired resistance in vivo. Our system differs from earlier synthetic systems in that it focuses on the evolution of a microecology from a killer-prey relationship to coexistence using two different non-motile Escherichia coli strains. Using empirical data, we developed the first ecological model emphasising the concept of the constant evolution of species, where the survival of the prey species is dependent on location (distance from the killer) or the evolution of resistance. Our simple model, when expanded to complex microecological association studies under varied spatial and nutrient backgrounds may help to understand the complex relationships between multiple species in intricate natural ecological networks. This type of microecological study has become increasingly important, especially with the emergence of antibiotic-resistant pathogens.
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Ecosistema , Escherichia coli/fisiología , Análisis Espacio-Temporal , Simulación por Computador , Modelos Biológicos , Método de MontecarloRESUMEN
Including spatial structure and stochastic noise invalidates the classical Lotka-Volterra picture of stable regular population cycles emerging in models for predator-prey interactions. Growth-limiting terms for the prey induce a continuous extinction threshold for the predator population whose critical properties are in the directed percolation universality class. We discuss the robustness of this scenario by considering an ecologically inspired stochastic lattice predator-prey model variant where the predation process includes next-nearest-neighbor interactions. We find that the corresponding stochastic model reproduces the above scenario in dimensions 1< d < or =4, in contrast with the mean-field theory, which predicts a first-order phase transition. However, the mean-field features are recovered upon allowing for nearest-neighbor particle exchange processes, provided these are sufficiently fast.