Charles R.
Packard
and
Daniel M.
Sussman
*
Department of Physics, Emory University, Atlanta, Georgia 30322, USA. E-mail: charles.robert.packard@emory.edu; daniel.m.sussman@emory.edu
First published on 6th March 2025
Flocking phase transitions arise in many aligning active soft matter systems, and an interesting question concerns the role of “topological” vs. “metric” interactions on these transitions. While recent theoretical work suggests that the order–disorder transition in these polar aligning models is universally first order, numerical studies have suggested that topological models may instead have a continuous transition. Some recent simulations have found that some variations of topologically interacting flocking agents have a discontinuous transition, but unambiguous observations of phase coexistence using common Voronoi-based alignment remains elusive. In this work, we use a custom GPU-accelerated simulation package to perform million-particle-scale simulations of a Voronoi–Vicsek model in which alignment interactions stem from an XY-like Hamiltonian. By accessing such large systems on appropriately long time scales and in the time-continuous limit, we are able to show a regime of stable phase coexistence between the ordered and disordered phases, confirming the discontinuous nature of this transition in the thermodynamic limit.
In its original formulation, agents in the Vicsek model align with all agents within a characteristic length scale.11 This “metric” flavor of the model is particularly well-suited for flocks such as active colloids,12 microtubules,5 and bacteria,1 in which aligning interactions between agents occur via collisions. In macroscopic flocks though (e.g., some insects,13 fish,14 and bird flocks,15 or even pedestrian traffic16), alignment interactions may be vision-based or otherwise “metric-free”17 or “topological”. That is, the network of neighbor interactions stems not directly from a pairwise distance, but from some other criteria (for instance, k-nearest-neighbors18–21 or from a Voronoi tessellation17,22–24 of space). The question of whether or not metric and topological flocks have order–disorder transitions in the same universality class remains an active source of discussion.25–27
In metric flocks, the transition to collective motion is discontinuous,11 with phase coexistence at the phase boundary that is understood as a non-equilibrium analogue of the liquid–gas transition.28 This phase behavior has been studied using Boltzmann-style coarse-graining methods that allow the dynamics of flocks to be treated at the level of interacting fields.29,30 The resulting hydrodynamics reveal that the microscopic length scale of aligning interactions in metric flocks leads to a coupling between the coarse-grained density and polarization fields, which subsequently produces a linear instability of the homogeneous ordered phase in the vicinity of the order–disorder phase boundary and gives rise to phase coexistence.31 This phase coexistence is characterized by the presence of high-density, highly ordered “bands” of particles propagating through a low-density, disordered background of particles.32–34 This phase transition is well-known in metric Vicsek models and is reminiscent of propagating bands that have been experimentally observed in both synthetic12 and biological flocks.13
A field-theoretic analysis of topological flocks suggested that the absence of a microscopic length scale correspondingly results in the absence of coupling between the density and polarization fields35,36 – this would rationalize the continuous order–disorder transition previously reported for the Voronoi–Vicsek model.17 Recently, though, theoretical work has emerged suggesting that correlated fluctuations in the coarse-grained density and velocity fields of a topological flock lead to renormalized hydrodynamics that make the phase transition discontinuous.26 At present, this fluctuation-induced first-order transition scenario37 is demonstrated in agent-based simulations of both the topological k-nearest neighbor Vicsek model (VM)26 and active Ising model (AIM) – a lattice flocking model with discrete symmetry. Preliminary evidence suggests that the same discontinuous transition characterizes the Voronoi variant of the AIM,27 albeit at the very edge of system size that the computational methods employed in that work could resolve. These studies on topological AIM flocks are further complicated by the fact that their active orientational dynamics have a discrete symmetry, in contrast to the continuous rotational symmetry of both Vicsek and natural flocks. Recent work has found that such differences can have profound effects on the macroscopic phase behavior of the ordered states.38 In addition to the unclear theoretical scenario, this highlights a tension in the numerical literature between the recent AIM models and previous simulations of Vicsek-style Voronoi flocks which, as mentioned before, found no signature of phase coexistence in a thorough finite-size scaling analysis.17
In this paper, we conduct large-scale numerical simulations to resolve this tension. We first show that the discrepancy between earlier17 and more recent27 work vanishes when one considers sufficiently large systems and takes into account the time-continuous limit of a Voronoi–Vicsek model. Standard Vicsek model simulations use discrete-time dynamics (in which positions and orientations are updated with a time-step size of Δt = 1), in which arbitrarily large changes in particle orientation are permitted.7 We adopt a time-continuous formulation39 in which the equations of motion are expressed as coupled differential equations (and for which angular updates are controlled by a conservative potential), allowing us to independently vary particle speeds and the discretization of time in our simulations. We perform a finite-size analysis to demonstrate that the order–disorder transition in Voronoi flocks is discontinuous. We furthermore expand on the results of ref. 27 by explicitly demonstrating coexisting phases with a bimodal distribution of densities, and we directly measure a non-vanishing coupling between density and polarization fields.
In the remainder of this manuscript, we first describe the model and our numerical methods in more detail. We then report coarse-grained field statistics for our large-scale simulations, discussing the structure of the coexisting phases and comparing the traditional discrete-time version of the model with a time-continuous implementation. We finally close with a discussion and outlook on questions of flocking in metric and topologically interacting systems.
![]() | (1) |
![]() | (2) |
![]() | (3) |
In the standard Vicsek model, (the set of neighbors of particle i) is set by distance-based criteria, while here it is the instantaneous set of Voronoi neighbors of particle i at time t.17,43 We work with the fixed value α = 1/6. We note that in a periodic domain a generic tessellation will have, on average, six neighbors per particle, meaning that even in the presence of giant number fluctuations this fact gives us an extensive Hamiltonian. Finally, η is the strength of the Gaussian white noise ζi. Unless specified otherwise, we simulate N = 1.28 × 106 particles with v0 = 2.0 and conduct simulations at a time-step size of dt = 0.005. We note that the precise value of the phase boundary is sensitive to the time-step size, which will be of note when we compare with dt = 1 simulations in Section 5. We further note that some works on topological Vicsek-like models adopt a convention27 of fixing v0 and varying ρ – since there is no natural length scale set by the particle interaction range these conventions are equivalent, but since we are adopting a time-continuous model we find it more convenient to fix the density. In order to explore these system sizes in a computationally accessible manner, we adapt GPU-accelerated code from the cellGPU package44 to the model studied here.
To probe the nature of the phase transition in the above model, we focus much of our attention on the Binder cumulant.37,45–47 For an arbitrary random variable f this is defined by
![]() | (4) |
![]() | (5) |
In our work, we use systems that are large enough to allow us to directly (spatially) coarse-grain the order parameter field of our system rather than looking at time series statistics of ϕ(t). Following ref. 49, we define
![]() | (6) |
We also consider the statistics of the coarse-grained density field
![]() | (7) |
We will find it convenient to work in coordinates that reflect the direction of the global polar order. When the polar order parameter is non-zero, we define r‖ and r⊥ to be the direction parallel and transverse to the mean flocking direction, respectively. With that convention, we follow ref. 11 and quantify the presence of transverse propagating bands by considering the longitudinal profile of a field f averaged along r⊥,
Pf(r‖, t) ≡ 〈f(r, t)〉r⊥. | (8) |
Bf(t) ≡ 〈Pf(r‖, t)2 − 〈Pf(r‖, t)〉r‖2〉r‖. | (9) |
In Fig. 2, the probability density functions (PDFs) obtained from measurements of the distribution of local values of ϕ(r, t) and ρ(r, t) are shown. Starting in the disordered phase (Fig. 2a and b), the density field is symmetrically distributed about ρ0, while the order parameter field distribution has a mean that vanishes as the coarse-graining length scale is increased. Decreasing the noise strength so that the system is in the vicinity of the phase boundary (Fig. 2c and d), we find that the distributions of density and order parameter values become non-Gaussian: they are skewed at small coarse-graining length scales and clearly bimodal at large length scales. This is a key signature of phase separation in flocking models where low-density regions of space remain disordered, while high-density regions become ordered. On further decreasing the noise strength, Gaussian statistics of ϕ(r, t) and ρ(r, t) are restored as the system enters a homogeneous flocking state (Fig. 2e and f).
The deviations from Gaussian statistics in the vicinity of the phase boundary are quantified by the Binder cumulants Gϕ and Gρ (defined by eqn (4)), as shown in Fig. 2g and h. In Fig. 2g, Gϕ varies from 1/3 (in the disordered phase) to 2/3 (in the ordered phase) – as found in the earlier work on the Voronoi-Vicsek model11,17 – but does exhibit a very small dip below 1/3 near the phase boundary, characteristic of a discontinuous transition. This signal is significantly stronger in Gρ, which exhibits a clear range of noise strengths for which the density field statistics are non-Gaussian. From these results, we conclude that the order–disorder transition of the spatially and temporally continuous Voronoi flocking model is indeed discontinuous.
Having found phase coexistence between the homogeneous disordered and ordered phases in the time-continuous limit of our topological model, we next investigate correlations between the order parameter and density fields. It is this feature in the theoretically predicted fluctuation-induced first-order-transition scenario that renders homogeneous states near the phase boundary unstable. In the disordered phase of our model, we find that the order parameter and density field are independent (Fig. 3a), as expected for a system of topologically interacting agents.36 Note that as the coarse-graining length-scale is increased, the magnitude of local density fluctuations away from ρ0 = 1.0 decreases, as the system is globally homogeneous; additionally, local order parameter fluctuations diminish with increasing as more randomly orientated particles are incorporated into the average. In the vicinity of the phase boundary, although we measure a positive correlation between the local order and local density, which increases in strength with the coarse-graining bin size (Fig. 3b) – again emphasizing the need for the extremely large simulations employed in this work. This observation confirms that the theoretically predicted hydrodynamic mechanism for producing banded states26 is indeed present in our simulations.
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Fig. 3 Coupling between polarization and density fields. The average local value of the order parameter field as a function of local density is shown in the disordered phase (η = 0.55, panel (a)) and in the vicinity of the order–disorder transition (η = 0.4902, panel (b)). Colors correspond to the same coarse-graining bin sizes as in Fig. 2. |
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Fig. 4 Traveling band statistics in the phase coexistence regime. The time-averaged value of the banding order parameter (eqn (9)) for the order parameter (a) and density fields (b) are shown for dt = 0.005 (black) and dt = 1.000 (light blue). The time-average shape of the density field's profile in the vicinity of the phase boundary is shown for dt = 0.005 and v = 2.0 in (c) and dt = 0.010 and v = 0.5 in (d). Solid red lines in (c) and (d), respectively, denote fits to hyperbolic tangent and exponential functional forms for traveling bands that were analytically derived in ref. 31. |
As another demonstration that the phase coexistence we see in our simulations is consistent with the known ordered and disordered states, we study the statistics of the density field within sub-volumes inside and outside of the bands (we define these sub-volumes to be regions of width L/5 centered about the longitudinal (r‖) axis of the minimum and the maximum density/polar order). The theoretical work predicts that the standard deviation of the number of particles within a region of space should scale as Δn ∝ 〈n〉α, where 〈n〉 is the expected number of particles from the mean density of the system. The exponent α has the value 0.5 in the disordered (gaseous) phase and 0.8 in the ordered (liquid) phase where “giant number fluctuations” are present10 – this is one of the key signatures of the polar flocking phase. In Fig. 5a we show that our simulations reproduce these statistics, while also exhibiting an apparent third scaling regime in the inhomogeneous banded phase with an exponent close to α = 0.9. As depicted in Fig. 5b though, this additional regime goes away when carefully considering number fluctuations within and outside of the band. When measured only in these spatial regions, we instead find that the banded phase has a scaling exponent of 0.8 inside the band and an exponent of ∼0.67 in the disordered “gas” outside the band (Fig. 5c). The former is consistent with the value measured in the homogeneous ordered phase, while the latter is identical to the value we measure for systems still in the disordered phase but very close to the phase transition.
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Fig. 6 Binder cumulant analysis in the discrete time limit. The Binder cumulant of the order parameter (a) and density field (b) measured in coarse-graining boxes of size ![]() |
We also investigate how the discrete-time limit affects our observation of the fluctuation-induced coupling between the order parameter and density fields predicted by ref. 26. As shown by the lightest curves in Fig. 7, when measuring the local polarization as a function of local density with approximately the same ( = 16) coarse-graining bin size used in ref. 17, we find no correlations between the two fields in the vicinity of the phase boundary or in the homogeneous ordered phase. As the coarse-graining bin size is increased though, we measure a strong and positive correlation near the phase boundary (while the fields remain largely independent in the homogeneous ordered phase). We conclude that the fluctuation-induced coupling is sensitive to both finite-size effects and the noise strength in the system. The fact that a coupling of the two fields is indeed measured near the phase boundary (Fig. 7a) suggests the hydrodynamic mechanism required to produce a linear instability and propagating bands are satisfied even in the discrete time limit. In the ordered phase we find a modest decrease in the average value of the order parameter field with increasing coarse-graining length scale, consistent with the expectations from ref. 17. Although no discontinuity in the phase transition is observed in Fig. 6 at the system size we employ here, in the standard metric Vicsek model decreasing dt is understood to greatly increase the system-size scale needed to observe the true discontinuous character of the transition.11 We speculate, then, that it is likely that the phase transition is discontinuous in the thermodynamic limit even in the discrete-time models of polar flocking.
By investigating the stability of the banded states as a function of the discretization of time, we provide a potential explanation for why previous finite-size analyses found only continuous transitions in Voronoi-Vicsek models.17 Our work also suggests that anomalous results obtained in other numerical studies of flocking models – such as metric variants of the model considered here having a continuous transition40 – may also be due to a coarse discretization of time. This warrants further work, as to the best of our knowledge there has not yet been a systematic study of how phase boundaries and the formation of mesoscopic structures in flocking systems depend on the size of the microscopic update time-step.
An open question in these topological models concerns the allowed spatial structure of the inhomogeneous phase. As mentioned above, unlike in metric models we have only ever observed a single stable traveling band. Is it possible for these topological models to support multiple bands traveling in the same direction? What about the stability of even more exotic phases, such as the “cross-sea phase” observed in metric flocking models, which have a pattern characterized by two non-parallel wavevectors53? At present there does not exist a hydrodynamic theory for understanding the instability that leads to the cross-sea phase, and further numerical work is required to probe the full extent of pattern formation in topological flocking models.
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Fig. 8 Time-step size convergence. The variance of the polar order parameter, defined by eqn (5), for varying time-step sizes at a fixed system size N = 104 and self-propulsion speed v0 = 2.0. |
After taking the time-continuous limit, we increase our system size until we observe propagating bands. Fig. 9 shows the results of analyzing the banding order parameter as a function of system size across the order–disorder transition. Initially, increasing the system size from N = 104 particles leads to greater homogeneity in the order parameter field along the flocking direction. Continuing to increase the number of particles in the system by several orders of magnitude though reveals a peak in the banding order parameter near the critical point.
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Fig. 9 Finite-size analysis of the banding order parameter. The banding order parameter (eqn (9)) of the coarse-grained polar order parameter field (eqn (6)) for increasingly large system sizes at fixed dt = 0.005 and self-propulsion speed v0 = 2.0. |
Throughout the main text, we report results for simulations performed in periodic, square (L × L) domains. In such systems, we only ever observe a single propagating band for all computationally accessible system sizes (L). In the metric Vicsek model though, the banded phase is characterized by micro-phase separation (with periodically arranged propagating bands) rather than macro-phase separation (with bulk phase separation into a single liquid and gas domain).28 Being unable to investigate which case our topological model belongs to by further increasing the number of particles we use in our simulations, we instead perform simulations in periodic, rectangular (Lx × Ly) domains, as is commonly done in computational studies of banded phases.26,28 Given that we observe a single band in a square geometry system with linear size L ≈ 1100 in Fig. 1, we perform rectangular geometry simulations with a linear size Lx = 3200 in Fig. 10 so that there is sufficient space to accommodate at least one additional band. Although there is a transient two-band state, we ultimately observe that the system evolves into a single-band state. These results suggest that the topological model we study here does not exhibit the same micro-phase separation as in the metric Vicsek model11 and k-nearest neighbor models,26 but rather macro-phase separation like in the active Ising model.28
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Fig. 10 Rectangular geometry snapshot. (a) Snapshot of the density field of a simulation performed in a rectangular domain with Ly = 200 and Lx = 16Ly with parameters being identical to those in Fig. 1, but with N = 640![]() |
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