10 research outputs found
Space-time Phase Transitions in Driven Kinetically Constrained Lattice Models
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
Simulating rare events in dynamical processes
Atypical, rare trajectories of dynamical systems are important: they are
often the paths for chemical reactions, the haven of (relative) stability of
planetary systems, the rogue waves that are detected in oil platforms, the
structures that are responsible for intermittency in a turbulent liquid, the
active regions that allow a supercooled liquid to flow... Simulating them in an
efficient, accelerated way, is in fact quite simple.
In this paper we review a computational technique to study such rare events
in both stochastic and Hamiltonian systems. The method is based on the
evolution of a family of copies of the system which are replicated or killed in
such a way as to favor the realization of the atypical trajectories. We
illustrate this with various examples
Evidence of a two-state picture for supercooled water and its connections with glassy dynamics
The picture of liquid water as consisting of a mixture of molecules of two different structural states (structured, low-density molecules and unstructured, high-density ones) represents a belief that has been around for long time awaiting for a conclusive validation. While in the last years some indicators have indeed provided certain evidence for the existence of structurally different ``species´´, a more definite bimodality in the distribution function of a sound structural quantity would be desired. In this context, our present work combines the use of a structural parameter with a minimization technique to yield neat bimodal distributions in a temperature range within the supercooled liquid regime, thus clearly revealing the presence of two populations of differently structured water molecules. Furthermore, we elucidate the role of the inter-conversion between the identified two kinds of states for the dynamics of structural relaxation, thus linking structural information to dynamics, a longstanding issue in glass physics.Fil: Appignanesi, Gustavo Adrian. Consejo Nacional de Investigaciones CientĂficas y TĂ©cnicas. Centro CientĂfico TecnolĂłgico Conicet - BahĂa Blanca. Instituto de QuĂmica del Sur. Universidad Nacional del Sur. Departamento de QuĂmica. Instituto de QuĂmica del Sur; ArgentinaFil: Rodriguez Fris, Jorge Ariel. Consejo Nacional de Investigaciones CientĂficas y TĂ©cnicas. Centro CientĂfico TecnolĂłgico Conicet - BahĂa Blanca. Instituto de QuĂmica del Sur. Universidad Nacional del Sur. Departamento de QuĂmica. Instituto de QuĂmica del Sur; ArgentinaFil: Sciortino, Francesco. UniversitĂ di Roma; Itali