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Alastair M. Rucklidge

Publications and source records attributed to Alastair M. Rucklidge.

At least 19 recordsLinked to original sources

A flexible implementation of strong segregation theory for two dimensional ABC star terpolymer morphologies

We present a novel computational implementation of strong segregation theory, developed specifically for calculations of phase separated ABC star terpolymers. The method allows calculation of free energies of common two-dimensional morphologies for these polymers and the efficient construction of phase diagrams. The branch points of the ABC star terpolymers are localized in core regions, modeled as cylinders in three dimensions, and our framework is applicable to morphologies with single and multiple core types. Our central idea is that all the structures we wish to model can be assembled from a flexible base motif, which we call Strongly Segregated Polygons. This method is useful for exploring a wide range of complex morphologies, using a range of compositions and interaction strengths. We focus on 2D morphologies of ABC star terpolymers, but our method could be extended into three dimensions and to other molecular architectures, and in principle to large, irregular quasiperiodic two-dimensional structures.

cond-mat.soft↗

Pattern Formation with Two Length Scales: Spatiotemporal Chaos

Three-wave interactions (or resonant triads) are the lowest-order nonlinear interaction in pattern formation and arise between waves with different orientations when the sum of two wavevectors equals a third one. When a pattern has only one length scale, stripe patterns are possible but three-wave interactions are responsible for the prevalence of hexagons close to onset. In problems with two length scales, there is a much wider range of possible three-wave interactions, leading to more complex structures such as superhexagons, stars, quasipatterns and even spatiotemporal chaos (STC). We investigate the role that nonlinear wave interactions play in the formation of STC in a model partial differential equation (PDE) in the case that the length scale ratio is $\sqrt{7}$, relevant to superlattice patterns in the Faraday wave experiment. The simpler aspects of the dynamics can be represented by a system of ordinary differential equations (ODEs) derived from the PDE using weakly nonlinear theory. We analyze the equilibrium patterns in these ODEs and evaluate their stability, comparing the results with direct numerical simulations of the model PDE. The ODEs predict parameter regimes where there are no stable simple equilibria, which is where we typically find complex behavior in the PDE. We have conducted a careful study of the transition from simple patterns to patterns that include modes beyond the finite-dimensional subspace imposed in the reduction to the ODEs, to time-dependent competition between different triads, ending up with fully developed STC. For our choice of length scale ratio, we show that four-wave interactions also play an important role. Our analysis is relevant to any pattern-forming system with three-wave interactions involving two length scales, such as the Faraday wave experiment, coupled reaction-diffusion systems, and pattern formation in dryland vegetation.

nlin.PS↗

Parametric resonance, chaos and spatial structure in the Lotka-Volterra model

We investigate the Lotka-Volterra model for predator-prey competition with a finite carrying capacity that varies periodically in time, modeling seasonal variations in nutrients or food resources. In the absence of time variability, the ordinary differential equations have an equilibrium point that represents coexisting predators and prey. The time dependence removes this equilibrium solution, but the equilibrium point is restored by allowing the predation rate also to vary in time. This equilibrium can undergo a parametric resonance instability, leading to subharmonic and harmonic time-periodic behavior, which persists even when the predation rate is constant. We also find period-doubling bifurcations and chaotic dynamics. If we allow the population densities to vary in space as well as time, introducing diffusion into the model, we find that variations in space diffuse away when the underlying dynamics is periodic in time, but spatiotemporal structure persists when the underlying dynamics is chaotic. We interpret this as a competition between diffusion, which makes the population densities homogeneous in space, and chaos, where sensitive dependence on initial conditions leads to different locations in space following different trajectories in time. Patterns and spatial structure are known to enhance resilience in ecosystems, suggesting that chaotic time-dependent dynamics arising from seasonal variations in carrying capacity and leading to spatial structure, might also enhance resilience.

nlin.PS↗

Robust heteroclinic cycles in pluridimensions

Heteroclinic cycles are sequences of equilibria along with trajectories that connect them in a cyclic manner. We investigate a class of robust heteroclinic cycles that does not satisfy the usual condition that all connections between equilibria lie in flow-invariant subspaces of equal dimension. We refer to these as robust heteroclinic cycles in pluridimensions. The stability of these cycles cannot be expressed in terms of ratios of contracting and expanding eigenvalues in the usual way because, when the subspace dimensions increase, the equilibria fail to have contracting eigenvalues. We develop the stability theory for robust heteroclinic cycles in pluridimensions, allowing for the absence of contracting eigenvalues. We present four new examples, each with four equilibria and living in four dimensions, that illustrate the stability calculations. Potential applications include modelling the dynamics of evolving populations when there are transitions between equilibria corresponding to mixed populations with different numbers of species.

math.DS↗

Visibility of heteroclinic networks

The concept of stability has a long history in the field of dynamical systems: stable invariant objects are the ones that would be expected to be observed in experiments and numerical simulations. Heteroclinic networks are invariant objects in dynamical systems associated with intermittent cycling and switching behaviour, found in a range of applications. In this article, we note that the usual notions of stability, even those developed specifically for heteroclinic networks, do not provide all the information needed to determine the long-term behaviour of trajectories near heteroclinic networks. To complement the notion of stability, we introduce the concept of visibility, which pinpoints precisely the invariant objects that will be observed once transients have decayed. We illustrate our definitions with examples of heteroclinic networks from the literature.

math.DS↗

Coexistence of Competing Microbial Strains under Twofold Environmental Variability and Demographic Fluctuations

Microbial populations generally evolve in volatile environments, under conditions fluctuating between harsh and mild, e.g. as the result of sudden changes in toxin concentration or nutrient abundance. Environmental variability thus shapes the long-time population dynamics, notably by influencing the ability of different strains of microorganisms to coexist. Inspired by the evolution of antimicrobial resistance, we study the dynamics of a community consisting of two competing strains subject to twofold environmental variability. The level of toxin varies in time, favouring the growth of one strain under low drug concentration and the other strain when the toxin level is high. We also model time-changing resource abundance by a randomly switching carrying capacity that drives the fluctuating size of the community. While one strain dominates in a static environment, we show that species coexistence is possible in the presence of environmental variability. By computational and analytical means, we determine the environmental conditions under which long-lived coexistence is possible and when it is almost certain. Notably, we study the circumstances under which environmental and demographic fluctuations promote, or hinder, the strains coexistence. We also determine how the make-up of the coexistence phase and the average abundance of each strain depend on the environmental variability.

q-bio.PE↗

Coupled environmental and demographic fluctuations shape the evolution of cooperative antimicrobial resistance

There is a pressing need to better understand how microbial populations respond to antimicrobial drugs, and to find mechanisms to possibly eradicate antimicrobial-resistant cells. The inactivation of antimicrobials by resistant microbes can often be viewed as a cooperative behavior leading to the coexistence of resistant and sensitive cells in large populations and static environments. This picture is however greatly altered by the fluctuations arising in volatile environments, in which microbial communities commonly evolve. Here, we study the eco-evolutionary dynamics of a population consisting of an antimicrobial resistant strain and microbes sensitive to antimicrobial drugs in a time-fluctuating environment, modeled by a carrying capacity randomly switching between states of abundance and scarcity. We assume that antimicrobial resistance is a shared public good when the number of resistant cells exceeds a certain threshold. Eco-evolutionary dynamics is thus characterised by demographic noise (birth and death events) coupled to environmental fluctuations which can cause population bottlenecks. By combining analytical and computational means, we determine the environmental conditions for the long-lived coexistence and fixation of both strains, and characterise a fluctuation-driven antimicrobial resistance eradication mechanism, where resistant microbes experience bottlenecks leading to extinction. We also discuss the possible applications of our findings to laboratory-controlled experiments.

q-bio.PE↗

Design of linear block copolymers and ABC star terpolymers that produce two length scales at phase separation

Quasicrystals (materials with long range order but without the usual spatial periodicity of crystals) were discovered in several soft matter systems in the last twenty years. The stability of quasicrystals has been attributed to the presence of two prominent length scales in a specific ratio, which is 1.93 for the twelve-fold quasicrystals most commonly found in soft matter. We propose design criteria for block copolymers such that quasicrystal-friendly length scales emerge at the point of phase separation from a melt, basing our calculations on the Random Phase Approximation. We consider two block copolymer families: linear chains containing two different monomer types in blocks of different lengths, and ABC star terpolymers. In all examples, we are able to identify parameter windows with the two length scales having a ratio of 1.93. The models that we consider that are simplest for polymer synthesis are, first, a monodisperse A_L B A_S B melt and, second, a model based on random reactions from a mixture of A_L, A_S and B chains: both feature the length scale ratio of 1.93 and should be relatively easy to synthesise.

cond-mat.soft↗

Rectangle--triangle soft-matter quasicrystals with hexagonal symmetry

Aperiodic (quasicrystalline) tilings, such as Penrose's tiling, can be built up from e.g. kites and darts, squares and equilateral triangles, rhombi or shield shaped tiles and can have a variety of different symmetries. However, almost all quasicrystals occurring in soft-matter are of the dodecagonal type. Here, we investigate a class of aperiodic tilings with hexagonal symmetry that are based on rectangles and two types of equilateral triangles. We show how to design soft-matter systems of particles interacting via pair potentials containing two length-scales that form aperiodic stable states with two different examples of rectangle--triangle tilings. One of these is the bronze-mean tiling, while the other is a generalization. Our work points to how more general (beyond dodecagonal) quasicrystals can be designed in soft-matter.

cond-mat.soft↗

Effects of homophily and heterophily on preferred-degree networks: mean-field analysis and overwhelming transition

We investigate the long-time properties of a dynamic, out-of-equilibrium network of individuals holding one of two opinions in a population consisting of two communities of different sizes. Here, while the agents' opinions are fixed, they have a preferred degree which leads them to endlessly create and delete links. Our evolving network is shaped by homophily/heterophily, which is a form of social interaction by which individuals tend to establish links with others having similar/dissimilar opinions. Using Monte Carlo simulations and a detailed mean-field analysis, we study in detail how the sizes of the communities and the degree of homophily/heterophily affects the network structure. In particular, we show that when the network is subject to enough heterophily, an "overwhelming transition" occurs: individuals of the smaller community are overwhelmed by links from agents of the larger group, and their mean degree greatly exceeds the preferred degree. This and related phenomena are characterized by obtaining the network's total and joint degree distributions, as well as the fraction of links across both communities and that of agents having fewer edges than the preferred degree. We use our mean-field theory to discuss the network's polarization when the group sizes and level of homophily vary.

physics.soc-ph↗

Numerical continuation of spiral waves in heteroclinic networks of cyclic dominance

Heteroclinic-induced spiral waves may arise in systems of partial differential equations that exhibit robust heteroclinic cycles between spatially uniform equilibria. Robust heteroclinic cycles arise naturally in systems with invariant subspaces and their robustness is considered with respect to perturbations that preserve these invariances. We make use of particular symmetries in the system to formulate a relatively low-dimensional spatial two-point boundary-value problem in Fourier space that can be solved efficiently in conjunction with numerical continuation. The standard numerical set-up is formulated on an annulus with small inner radius, and Neumann boundary conditions are used on both inner and outer radial boundaries. We derive and implement alternative boundary conditions that allow for continuing the inner radius to zero and so compute spiral waves on a full disk. As our primary example, we investigate the formation of heteroclinic-induced spiral waves in a reaction-diffusion model that describes the spatiotemporal evolution of three competing populations in a two-dimensional spatial domain--much like the Rock-Paper-Scissors game. We further illustrate the efficiency of our method with the computation of spiral waves in a larger network of cyclic dominance between five competing species, which describes the so-called Rock-Paper-Scissors-Lizard-Spock game.

math.AP↗

Spatiotemporal stability of periodic travelling waves in a heteroclinic-cycle model

We study a Rock-Paper-Scissors model for competing populations that exhibits travelling waves in one spatial dimension and spiral waves in two spatial dimensions. A characteristic feature of the model is the presence of a robust heteroclinic cycle that involves three saddle equilibria. The model also has travelling fronts that are heteroclinic connections between two equilibria in a moving frame of reference, but these fronts are unstable. However, we find that large-wavelength travelling waves can be stable in spite of being made up of three of these unstable travelling fronts. In this paper, we focus on determining the essential spectrum (and hence, stability) of large-wavelength travelling waves in a cyclic competition model with one spatial dimension. We compute the curve of transitions from stability to instability with the continuation scheme developed by Rademacher et al. (2007 Physica D 229 166-83). We build on this scheme and develop a method for computing what we call belts of instability, which are indicators of the growth rate of unstable travelling waves. Our results from the stability analysis are verified by direct simulation for travelling waves as well as associated spiral waves. We also show how the computed growth rates accurately quantify the instabilities of the travelling waves.

nlin.PS↗

How does homophily shape the topology of a dynamic network?

We consider a dynamic network of individuals that may hold one of two different opinions in a two-party society. As a dynamical model, agents can endlessly create and delete links to satisfy a preferred degree, and the network is shaped by \emph{homophily}, a form of social interaction. Characterized by the parameter $J \in [-1,1]$, the latter plays a role similar to Ising spins: agents create links to others of the same opinion with probability $(1+J)/2$, and delete them with probability $(1-J)/2$. Using Monte Carlo simulations and mean-field theory, we focus on the network structure in the steady state. We study the effects of $J$ on degree distributions and the fraction of cross-party links. While the extreme cases of homophily or heterophily ($J= \pm 1$) are easily understood to result in complete polarization or anti-polarization, intermediate values of $J$ lead to interesting features of the network. Our model exhibits the intriguing feature of an "overwhelming transition" occurring when communities of different sizes are subject to sufficient heterophily: agents of the minority group are oversubscribed and their average degree greatly exceeds that of the majority group. In addition, we introduce an original measure of polarization which displays distinct advantages over the commonly used average edge homogeneity.

cond-mat.stat-mech↗

Density Distribution in Soft Matter Crystals and Quasicrystals

The density distribution in solids is often represented as a sum of Gaussian peaks (or similar functions) centred on lattice sites or via a Fourier sum. Here, we argue that representing instead the $\mathit{logarithm}$ of the density distribution via a Fourier sum is better. We show that truncating such a representation after only a few terms can be highly accurate for soft matter crystals. For quasicrystals, this sum does not truncate so easily, nonetheless, representing the density profile in this way is still of great use, enabling us to calculate the phase diagram for a 3-dimensional quasicrystal forming system using an accurate non-local density functional theory.

cond-mat.soft↗

Snaking without subcriticality: grain boundaries as non-topological defects

Non-topological defects such as grain boundaries abound in pattern forming systems, arising from local variations of pattern properties such as amplitude, wavelength, orientation, etc. We introduce the idea of treating such non-topological defects as spatially localised structures that are embedded in a background pattern, instead of treating them in an amplitude-phase decomposition. Using the two-dimensional quadratic-cubic Swift--Hohenberg equation as an example we obtain fully nonlinear equilibria that contain grain boundaries which are closed curves containing multiple penta-hepta defects separating regions of hexagons with different orientations. These states arise from local orientation mismatch between two stable hexagon patterns, one of which forms the localised grain and the other its background, and do not require a subcritical bifurcation connecting them. Multiple robust isolas that span a wide range of parameters are obtained even in the absence of a unique Maxwell point, underlining the importance of retaining pinning when analysing patterns with defects, an effect omitted from the amplitude-phase description.

nlin.PS↗

Localised patterns in a generalised Swift--Hohenberg equation with a quartic marginal stability curve

In some pattern-forming systems, for some parameter values, patterns form with two wavelengths, while for other parameter values, there is only one wavelength. The transition between these can be organised by a codimension-three point at which the marginal stability curve has a quartic minimum. We develop a model equation to explore this situation, based on the Swift--Hohenberg equation; the model contains, amongst other things, snaking branches of patterns of one wavelength localised in a background of patterns of another wavelength. In the small-amplitude limit, the amplitude equation for the model is a generalised Ginzburg--Landau equation with fourth-order spatial derivatives, which can take the form of a complex Swift--Hohenberg equation with real coefficients. Localised solutions in this amplitude equation help interpret the localised patterns in the model. This work extends recent efforts to investigate snaking behaviour in pattern-forming systems where two different stable non-trivial patterns exist at the same parameter values.

nlin.PS↗

Spatiotemporal chaos and quasipatterns in coupled reaction-diffusion systems

In coupled reaction-diffusion systems, modes with two different length scales can interact to produce a wide variety of spatiotemporal patterns. Three-wave interactions between these modes can explain the occurrence of spatially complex steady patterns and time-varying states including spatiotemporal chaos. The interactions can take the form of two short waves with different orientations interacting with one long wave, or vice-versa. We investigate the role of such three-wave interactions in a coupled Brusselator system. As well as finding simple steady patterns when the waves reinforce each other, we can also find spatially complex but steady patterns, including quasipatterns. When the waves compete with each other, time varying states such as spatiotemporal chaos are also possible. The signs of the quadratic coefficients in three-wave interaction equations distinguish between these two cases. By manipulating parameters of the chemical model, the formation of these various states can be encouraged, as we confirm through extensive numerical simulation. Our arguments allow us to predict when spatiotemporal chaos might be found: standard nonlinear methods fail in this case. The arguments are quite general and apply to a wide class of pattern-forming systems, including the Faraday wave experiment.

nlin.PS↗

Deriving phase field crystal theory from dynamical density functional theory: consequences of the approximations

Phase field crystal (PFC) theory, extensively used for modelling the structure of solids, can be derived from dynamical density functional theory (DDFT) via a sequence of approximations. Standard derivations neglect a term of form $\nabla\cdot[n\nabla L n]$, where $n$ is the scaled density profile and $L$ is a linear operator. We show that this term makes a significant contribution to the stability of the crystal, and dropping this term from the theory forces another approximation, that of replacing the logarithmic term from the ideal gas contribution to the free energy with its truncated Taylor expansion, to yield a polynomial in $n$. However, the consequences of doing this are the presence of an additional spinodal in the phase diagram, so the liquid is predicted first to freeze and then to melt again as the density is increased; and other periodic structures are erroneously predicted to be thermodynamic equilibria. A second approximation is to replace $L$ by a gradient expansion. This leads to the possibility of solutions failing to exist above a certain value of the average density. We illustrate these conclusions with a simple model two-dimensional fluid. The consequences of the PFC approximations are that the phase diagram is both qualitatively incorrect, in that it has a stripe phase, and quantitatively incorrect (by orders of magnitude) regarding the properties of the crystal. Thus, although PFC models are successful as phenomenological models of crystallisation, we find it impossible to derive the PFC model as an accurate approximation to DDFT, without introducing spurious artefacts. However, making a simple one-mode approximation for the logarithm of the density distribution is surprisingly accurate, which gives a tantalising hint that accurate PFC-type theories may instead be derived for the field $\log(ρ(x))$, rather than for the density profile itself.

cond-mat.soft↗