Kinetically constrained models (KCMs) have been used to study and understand the origin of glassy dynamics. Despite having trivial thermodynamic properties, their dynamics slows down dramatically at low temperatures while displaying dynamical heterogeneity as seen in glass forming supercooled liquids. This dynamics has its origin in an ergodic-nonergodic first-order phase transition between phases of distinct dynamical "activity". This is a "space-time" transition as it corresponds to a singular change in ensembles of trajectories of the dynamics rather than ensembles of configurations. Here we extend these ideas to driven glassy systems by considering KCMs driven into non-equilibrium steady states through non-conservative forces. By classifying trajectories through their entropy production we prove that driven KCMs also display an analogous first-order space-time transition between dynamical phases of finite and vanishing entropy production. We also discuss how trajectories with rare values of entropy production can be realized as typical trajectories of a mapped system with modified forces.
We present an interpolated kinetically constrained lattice gas model which exhibits a transition from fragile to strong supercooled liquid behavior. We find non-monotonic decoupling that is due to this crossover and is seen in experiment.
We derive expressions for the critical density for jamming in a hyper-rhomboid system of arbitrary shape in any dimension for the Kob-Andersen and Fredrickson-Andersen kinetically-constrained models. We find that changing the system's shape without altering its total volume or particle density may induce jamming. We also find a transition between shapes in which the correlation length between jammed particles is infinite, and shapes that have a finite correlation length.
We discuss a kinetically constrained model in which real-valued local densities fluctuate in time, as introduced recently by Bertin, Bouchaud and Lequeux. We show how the phenomenology of this model can be reproduced by an effective theory of mobility excitations propagating in a disordered environment. Both excitations and probe particles have subdiffusive motion, characterised by different exponents and operating on different time scales. We derive these exponents, showing that they depend continuously on one of the parameters of the model.
We introduce a driven version of the 1D kinetically constrained spin chain. In its original undriven version, this model shows anomalous coarsening following a quench to a low temperature, with an equilibration time that diverges as exp(1/T^2) for T\to 0. We show that driving of constant rate gamma_dot interrupts coarsening and stabilises the chain in a state analogous to that of a coarsening chain of age 1/gamma_dot. We present an analytical theory for this steady state, and demonstrate it to be in excellent agreement with our simulation results.
We introduce a kinetically constrained spin model with a local softness parameter, such that spin flips can violate the kinetic constraint with an (annealed) site-dependent rate. We show that adding MC swap moves to this model can dramatically accelerate structural relaxation. We discuss the connection of this observation with the fact that swap moves are also able to accelerate relaxation in structural glasses. We analyse the rates of relaxation in the model. We also show that the extent of dynamical heterogeneity is strongly suppressed by the swap moves.
A probabilistic cellular automaton for cargo transport is presented that generalizes the totally asymmetric exclusion process with a defect from continuous time to parallel dynamics. It appears as an underlying principle in cellular automata for traffic flow with non-local jumps for the kinetic constraint to drive as fast as possible. The exactly solvable model shows a discontinuous phase transition between two regions with different cargo velocities.
We numerically study the three-dimensional generalization of the kinetically constrained East model, the North-or-East-or-Front (NEF) model. We characterize the equilibrium behaviour of the NEF model in detail, measuring the temperature dependence of several quantities: alpha-relaxation time, distributions of relaxation times, dynamic susceptibility, dynamic correlation length, and four-point susceptibility. We show that the NEF model describes quantitatively experimental observations over an exceptionally wide range of timescales. We illustrate this by fitting experimental data obtained both …
Strong and fragile glass relaxation behaviours are obtained simply changing the constraints of the kinetically constrained Ising chain from symmetric to purely asymmetric. We study the out-of-equilibrium dynamics of those two models focusing on the Kovacs effect and the fluctuation--dissipation relations. The Kovacs or memory effect, commonly observed in structural glasses, is present for both constraints but enhanced with the asymmetric ones. Most surprisingly, the related fluctuation-dissipation (FD) relations satisfy the FD theorem in both cases. This result strongly differs from the simple…
Kinetically-constrained models are lattice-gas models that are used for describing glassy systems. By construction, their equilibrium state is trivial and there are no equal-time correlations between the occupancy of different sites. We drive such models out of equilibrium by connecting them to two reservoirs of different densities, and measure the response of the system to this perturbation. We find that under the proper coarse-graining, the behavior of these models may be expressed by a nonlinear diffusion equation, with a model- and density-dependent diffusion coefficient. We find a simple …
Kinetically constrained spin models are schematic coarse-grained models for the glass transition which represent an efficient theoretical tool to study detailed spatio-temporal aspects of dynamic heterogeneity in supercooled liquids. Here, we study how spatially correlated dynamic domains evolve with time and compare our results to various experimental and numerical investigations. We find that strong and fragile models yield different results. In particular, the lifetime of dynamic heterogeneity remains constant and roughly equal to the alpha relaxation time in strong models, while it increas…
We analyze the tagged particle diffusion for kinetically constrained models for glassy systems. We present a method, focusing on the Kob-Andersen model as an example, which allows to prove lower and upper bounds for the self diffusion coefficient $D_S$. This method leads to the exact density dependence of $D_{S}$, at high density, for models with finite defects and to prove diffusivity, $D_{S}>0$, at any finite density for highly cooperative models. A more general outcome is that under very general assumptions one can exclude that a dynamical transition, like the one predicted by the Mode-Coup…
We derive a dynamic field theory for a kinetically constrained model, based on the Fredrickson--Andersen model, which we expect to describe the properties of an Arrhenius (strong) supercooled liquid at the coarse-grained level. We study this field theory using the renormalization group. For mesoscopic length and time scales, and for space dimension d \geq 2, the behaviour of the model is governed by a zero-temperature dynamical critical point in the directed percolation universality class. We argue that in d=1 its behaviour is that of compact directed percolation. We perform detailed numerical…
On the example of a mean-field Fredrickson-Andersen kinetically constrained model, we focus on the known property that equilibrium dynamics take place at a first-order dynamical phase transition point in the space of time-realizations. We investigate the finite-size properties of this first order transition. By discussing and exploiting a mapping of the classical dynamical transition -an argued glassiness signature- to a first-order quantum transition, we show that the quantum analogy can be exploited to extract finite-size properties, which in many respects are similar to those in genuine mea…
We study a one-dimensional classical stochastic kinetically constrained model (KCM) inspired by Rydberg atoms in their "facilitated" regime, where sites can flip only if a single of their nearest neighbours is excited. We call this model "XOR-FA" to distinguish it from the standard Fredrickson-Andersen (FA) model. We describe the dynamics of the XOR-FA model, including its relation to simple exclusion processes in its domain wall representation. The interesting relaxation dynamics of the XOR-FA is related to the prominence of large dynamical fluctuations that lead to phase transitions between …
We theoretically calculate the average fraction of frozen particles in rectangular systems of arbitrary dimensions for the Kob-Andersen and Fredrickson-Andersen kinetically-constrained models. We find the aspect ratio of the rectangle's length to width, which distinguishes short, square-like rectangles from long, tunnel-like rectangles, and show how changing it can effect the jamming transition. We find how the critical vacancy density converges to zero in infinite systems for different aspect ratios: for long and wide channels it decreases algebraically $v_{c}\sim W^{-1/2}$ with the system's …
We apply the concept of dynamic propensity to a simple kinetically constrained model of glass formers, the two-vacancy assisted triangular lattice gas, or (2)-TLG. We find that the propensity field, defined in our case as the local root-mean square displacement averaged over the ensemble of trajectories with identical initial configurations, is a good measure of dynamical heterogeneity. This suggests a configurational origin for spatial fluctuations of the dynamics, but just as in the case of atomistic systems, we find that propensity is not correlated to any simple structural property. We sho…
We calculate the corrections to the thermodynamic limit of the critical density for jamming in the Kob-Andersen and Fredrickson-Andersen kinetically-constrained models, and find them to be finite-density corrections, and not finite-size corrections. We do this by introducing a new numerical algorithm, which requires negligible computer memory since contrary to alternative approaches, it generates at each point only the necessary data. The algorithm starts from a single unfrozen site and at each step randomly generates the neighbors of the unfrozen region and checks whether they are frozen or n…
In this chapter we summarize recent developments in the study of kinetically constrained models (KCMs) as models for glass formers. After recalling the definition of the KCMs which we cover we study the possible occurrence of ergodicity breaking transitions and discuss in some detail how, before any such transition occurs, relaxation timescales depend on the relevant control parameter (density or temperature). Then we turn to the main issue: the prediction of KCMs for dynamical heterogeneities. We focus in particular on multipoint correlation functions and susceptibilities, and decoupling in t…
We consider the diffusion constant, D, of a probe particle coupled to the East model, extending previous numerical results for this model to encompass a total of twelve orders of magnitude in relaxation time, τ. Our considerations thus cover the full range of relaxation times relevant to experimental studies of reversible glass formers. Throughout this range, we show that the results of the model are consistent with a fractional Stokes-Einstein law, D \propto τ^{-ξ} with ξ \approx 0.77. The same data can also be fit by relating Dτ to the East model excitation concentration q, specifically, Dτ …
The East model is the simplest one-dimensional kinetically-constrained model of $N$ spins with a trivial equilibrium that displays anomalously large spatio-temporal fluctuations, with characteristic "space-time bubbles" in trajectory space, and with a discontinuity at the origin for the first derivative of the scaled cumulant generating function of the total activity. These striking dynamical properties are revisited via the large deviations at various levels for the relevant local empirical densities and activities that only involve two consecutive spins. This framework allows to characterize…
We investigate the relation between the cooperative length and the relaxation time, represented respectively by the culling time and the persistence time, in the Fredrickson-Andersen, Kob-Andersen and spiral kinetically-constrained models. By mapping the dynamics to diffusion of defects, we find a relation between the persistence time, $τ_{p}$, which is the time until a particle moves for the first time, and the culling time, $τ_{c}$, which is the minimal number of particles that need to move before a specific particle can move, $τ_{p}=τ^γ_{c}$, where $γ$ is model- and dimension dependent. We …
We analyse metastable states in the East model, using a recently-proposed patch-repetition analysis based on time-averaged density profiles. The results reveal a hierarchy of states of varying lifetimes, consistent with previous studies in which the metastable states were identified and used to explain the glassy dynamics of the model. We establish a mapping between these states and configurations of systems of hard rods, which allows us to analyse both typical and atypical metastable states. We discuss connections between the complexity of metastable states and large-deviation functions of dy…
We analyse the out of equilibrium behavior of an Ising spin chain with an asymmetric kinetic constraint after a quench to a low temperature T. In the limit T\to 0, we provide an exact solution of the resulting coarsening process. The equilibration time exhibits a `glassy' divergence \teq=\exp(const/T^2) (popular as an alternative to the Vogel-Fulcher law), while the average domain length grows with a temperature dependent exponent, \dbar ~ t^{T\ln 2}. We show that the equilibration time \teq also sets the timescale for the linear response of the system at low temperatures.
We show that the dynamics of kinetically constrained models of glass formers takes place at a first-order coexistence line between active and inactive dynamical phases. We prove this by computing the large-deviation functions of suitable space-time observables, such as the number of configuration changes in a trajectory. We present analytic results for dynamic facilitated models in a mean-field approximation, and numerical results for the Fredrickson-Andersen model, the East model, and constrained lattice gases, in various dimensions. This dynamical first-order transition is generic in kinetic…
Kinetically constrained models (KCM) generically have trivial thermodynamics and yet manifest rich glassy dynamics. In order to resolve the thermodynamics-dynamics disconnect in KCMs, we derive a KCM by coarse-graining a non-trivial thermodynamic model with a solvable partition function. Blending of thermodynamics to the KCM makes the role of landscape properties on the relaxation times, fragility and its crossover analytically transparent. Using Bethe ansatz, we calculate the time-dependent $N$-point probability function in the distinct dynamical regimes of the landscapes; the contribution of…
We study dynamical heterogeneity and glassy dynamics in a kinetically constrained lattice gas model which has both translational and rotational degrees of freedom. We find that the rotational diffusion constant tracks the structural relaxation time as density is increased whereas the translational diffusion constant exhibits a strong decoupling. We investigate distributions of exchange and persistence times for both the rotational and translational degrees of freedom and compare our results on the distributions of rotational exchange times to recent single molecule studies.
We show the existence of fragile-to-strong transitions in kinetically constrained systems by studying the equilibrium and out-of-equilibrium dynamics of a generic constrained Ising spin chain which interpolates between the symmetric and fully asymmetric cases. We find that for large but finite asymmetry the model displays a crossover from fragile to strong glassy behaviour at finite temperature, which is controlled by the asymmetry parameter. The relaxation in the fragile region presents stretched exponential behaviour, with a temperature dependent stretching exponent which is predicted. Our r…
Classical and quantum annealing is discussed for a kinetically constrained chain of $N$ non-interacting asymmetric double wells, represented by Ising spins in a longitudinal field $h$. It is shown that in certain cases, where the kinetic constraints may arise from infinitely high but vanishingly narrow barriers appearing in the relaxation path of the system, quantum annealing exploiting the quantum-mechanical penetration of sufficiently narrow barriers may be far more efficient than its thermal counterpart. We have used a semiclassical picture of scattering dynamics to do our simulation for th…
We present an exact mapping between two simple spin models: the Fredrickson-Andersen (FA) model and a model of annihilating random walks with spontaneous creation from the vacuum, A+A <-> 0. We discuss the geometric structure of the mapping and its consequences for symmetries of the models. Hence we are able to show that the upper critical dimension of the FA model is two, and that critical exponents are known exactly in all dimensions. These conclusions also generalise to a mapping between A+A <-> 0 and the reaction-diffusion system in which the reactions are branching and coagulation, A+A <-…
Kinetically constrained lattice models of glasses introduced by Kob and Andersen (KA) are analyzed. It is proved that only two behaviors are possible on hypercubic lattices: either ergodicity at all densities or trivial non-ergodicity, depending on the constraint parameter and the dimensionality. But in the ergodic cases, the dynamics is shown to be intrinsically cooperative at high densities giving rise to glassy dynamics as observed in simulations. The cooperativity is characterized by two length scales whose behavior controls finite-size effects: these are essential for interpreting simulat…
Kinetically constrained spin models are known to exhibit dynamical behavior mimicking that of glass forming systems. They are often understood as coarse-grained models of glass formers, in terms of some "mobility" field. The identity of this "mobility" field has remained elusive due to the lack of coarse-graining procedures to obtain these models from a more microscopic point of view. Here we exhibit a scheme to map the dynamics of a two-dimensional soft disc glass former onto a kinetically constrained spin model, providing an attempt at bridging these two approaches.
We study an attractive version of the East model using the real-space renormalization group (RG) introduced by Stella et al. The former is a kinetically constrained model with an Ising-like interaction between excitations, and shows striking agreement with the phenomonology of attractive colloidal systems. We find that the RG predicts two nonuniversal dynamic exponents, which suggests that in the out-of-equilibrium regime the model coarsens via a two-stage mechanism. We explain this mechanism physically, and verify this prediction numerically. In addition, we find that the characteristic relax…
In a recent article [M. Merolle et al., Proc. Natl. Acad. Sci. USA 102, 10837 (2005)] it was argued that dynamic heterogeneity in $d$-dimensional glass formers is a manifestation of an order-disorder phenomenon in the $d+1$ dimensions of spacetime. By considering a dynamical analogue of the free energy, evidence was found for phase coexistence between active and inactive regions of spacetime, and it was suggested that this phenomenon underlies the glass transition. Here we develop these ideas further by investigating in detail the one-dimensional Fredrickson-Andersen (FA) model in which the ac…
The dynamical behaviours of a kinetically constrained spin model (Fredrickson-Andersen model) on a Bethe lattice are investigated by a perturbation analysis that provides exact final states above the nonergodic transition point. It is observed that the time-dependent solutions of the derived dynamical systems obtained by the perturbation analysis become systematically closer to the results obtained by Monte Carlo simulations as the order of a perturbation series is increased. This systematic perturbation analysis also clarifies the existence of a dynamical scaling law, which provides a implica…
We determine the finite size corrections to the large deviation function of the activity in a kinetically constrained model (the Fredrickson-Andersen model in one dimension), in the regime of dynamical phase coexistence. Numerical results agree with an effective model where the boundary between active and inactive regions is described by a Brownian interface.
We add extreme driving to the Kob-Andersen kinetically-constrained lattice-gas model in order to mimic the effect of gravity on dense granular systems. For low particle densities, the current that develops in the system agrees at arbitrary field intensity with a mean field theory. At intermediate densities, spatial correlations give rise to non-monotonic dependence of the current on field intensity. At higher densities, the current ultimately vanishes at a finite, field-dependent jamming density. We supplement the study of this bulk behavior with an investigation of the current through a narro…
We study dynamical heterogeneity and growing dynamical lengthscales in two kinetically constrained models, namely, the one- and two-vacancy assisted triangular lattice gases. One of the models is a strong glassformer and the other is a fragile glassformer. Both exhibit heterogeneous dynamics with broadly distributed timescales as seen in the distribution of persistence times. We show that the Stokes-Einstein relation is violated, to a greater degree in the fragile glassformer, and show how this violation is related to dynamic heterogeneity. We extract dynamical lengthscales from structure fact…
We analyze the mixing time of a class of oriented kinetically constrained spin models (KCMs) on a d-dimensional lattice of $n^d$ sites. A typical example is the North-East model, a 0-1 spin system on the two-dimensional integer lattice that evolves according to the following rule: whenever a site's southerly and westerly nearest neighbours have spin 0, with rate one it resets its own spin by tossing a p-coin, at all other times its spin remains frozen. Such models are very popular in statistical physics because, in spite of their simplicity, they display some of the key features of the dynamic…
Ghent University（根特大学）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）；National Research Council Canada（加拿大国家研究委员会）；Vector Institute for Artificial Intelligence（人工智能矢量研究所）
We use a neural network ansatz originally designed for the variational optimization of quantum systems to study dynamical large deviations in classical ones. We obtain the scaled cumulant-generating function for the dynamical activity of the Fredrickson-Andersen model, a prototypical kinetically constrained model, in one and two dimensions, and present the first size-scaling analysis of the dynamical activity in two dimensions. These results provide a new route to the study of dynamical large-deviation functions, and highlight the broad applicability of the neural-network state ansatz across d…
We introduce and investigate an open many-body quantum system in which kinetically constrained coherent and dissipative processes compete. The form of the incoherent dissipative dynamics is inspired by that of epidemic spreading or cellular-automaton-based computation related to the density-classification problem. It features two non-fluctuating absorbing states as well as a $\mathcal{Z}_2$-symmetric point in parameter space. The coherent evolution is governed by a kinetically constrained $\mathcal{Z}_2$-symmetric many-body Hamiltonian which is related to the quantum XOR-Fredrickson-Andersen m…
Here we demonstrate that tensor network techniques - originally devised for the analysis of quantum many-body problems - are well suited for the detailed study of rare event statistics in kinetically constrained models (KCMs). As concrete examples we consider the Fredrickson-Andersen and East models, two paradigmatic KCMs relevant to the modelling of glasses. We show how variational matrix product states allow to numerically approximate - systematically and with high accuracy - the leading eigenstates of the tilted dynamical generators which encode the large deviation statistics of the dynamic…
We study bootstrap percolation (BP) on hyperbolic lattices obtained by regular tilings of the hyperbolic plane. Our work is motivated by the connection between the BP transition and the dynamical transition of kinetically constrained models, which are in turn relevant for the study of glass and jamming transitions. We show that for generic tilings there exists a BP transition at a nontrivial critical density, $0<ρ_c<1$. Thus, despite the presence of loops on all length scales in hyperbolic lattices, the behavior is very different from that on Euclidean lattices where the critical density is ei…
We extend ring-polymer molecular dynamics (RPMD) to allow for the direct simulation of general, electronically non-adiabatic chemical processes. The kinetically constrained (KC) RPMD method uses the imaginary-time path-integral representation in the set of nuclear coordinates and electronic states to provide continuous equations of motion that describe the quantized, electronically non-adiabatic dynamics of the system. KC-RPMD preserves the favorable properties of the usual RPMD formulation in the position representation, including rigorous detailed balance, time-reversal symmetry, and invaria…
We add relaxation mechanisms that mimic the effect of temperature and non-equilibrium driving to the recently-proposed spiral model which jams at a critical density rho_c < 1. This enables us to explore unjamming by temperature or driving at rho_c < rho < 1. We numerically calculate the relaxation time of the persistence function and its spatial heterogeneity. We disentangle the three different relaxation mechanisms responsible for unjamming when varying density, temperature, and driving strength, respectively. We show that the spatial scale of dynamic heterogeneity depends on density much mor…
On the rooted $k$-ary tree we consider a 0-1 kinetically constrained spin model in which the occupancy variable at each node is re-sampled with rate one from the Bernoulli(p) measure iff all its children are empty. For this process the following picture was conjectured to hold. As long as $p$ is below the percolation threshold $p_c=1/k$ the process is ergodic with a finite relaxation time while, for $p>p_c$, the process on the infinite tree is no longer ergodic and the relaxation time on a finite regular sub-tree becomes exponentially large in the depth of the tree. At the critical point $p=p_…
We explore the relaxation dynamics of elementary spin clusters of a kinetically constrained spin system. Inspired by experiments with Rydberg lattice gases, we focus on the situation in which an excited spin leads to a "facilitated" excitation of a neighboring spin. We show that even weak interactions that extend beyond nearest neighbors can have a dramatic impact on the relaxation behavior: they generate a linear potential, which under certain conditions leads to the onset of Bloch oscillations of spin clusters. These hinder the expansion of a cluster and more generally the relaxation of many…
We propose a toy model with reversible mode coupling mechanism and with trivial Hamiltonian (and hence trivial statics). The model can be analyzed exactly without relying upon uncontrolled approximation such as the factorization approximation employed in the current MCT. We show that the model exhibits a kinetically driven transition from an ergodic phase to nonergodic phase. The nonergodic state is the nonequilibrium stationary solution of the Fokker-Planck equation for the distribution function of the model
We study how the thermodynamic properties of the Triangular Plaquette Model (TPM) are influenced by the addition of extra interactions. The thermodynamics of the original TPM is trivial, while its dynamics is glassy, as usual in Kinetically Constrained Models. As soon as we generalize the model to include additional interactions, a thermodynamic phase transition appears in the system. The additional interactions we consider are either short ranged, forming a regular lattice in the plane, or long ranged of the small-world kind. In the case of long-range interactions we call the new model Random…
