Recasting a model atomistic glassformer as a system of icosahedra

Abstract

We consider a binary Lennard-Jones glassformer whose super-Arrhenius dynamics are correlated with the formation of icosahedral structures. Upon cooling these icosahedra organize into mesoclusters. We recast this glassformer as an effective system of icosahedra which we describe with a population dynamics model. This model we parameterize with data from the temperature regime accessible to molecular dynamics simulations. We then use the model to determine the population of icosahedra in mesoclusters at arbitrary temperature. Using simulation data to incorporate dynamics into the model we predict relaxation behavior at temperatures inaccessible to conventional approaches. Our model predicts super-Arrhenius dynamics whose relaxation time remains finite for non-zero temperature.

10 pages, 9 figures

References in corpus (12)

• Theoretical perspective on the glass transition and amorphous materials
• Supercooled Liquids for Pedestrians
• The role of local structure in dynamical arrest
• Roles of icosahedral and crystal-like order in hard spheres glass transition
• Understanding fragility in supercooled Lennard-Jones mixtures. I. Locally preferred structures
• Identification of long-lived clusters and their link to slow dynamics in a model glass former
• Growing Dynamical Facilitation on Approaching the Random Pinning Colloidal Glass Transition
• The role of structure and entropy in determining differences in dynamics for glass formers with different interaction potentials
• Decorrelation of the static and dynamic length scales in hard-sphere glass-formers
• Evidence for a disordered critical point in a glass-forming liquid
• Ergodicity and Slowing Down in Glass-Forming Systems with Soft Potentials: No Finite-Temperature Singularities
• Statistical Mechanics and Dynamics of a 3-Dimensional Glass-Forming System

Cited by in corpus (10)

• Fifth-order susceptibility unveils growth of thermodynamic amorphous order in glass-formers
• The race to the bottom: approaching the ideal glass?
• Non-Equilibrium Phase Transition in an Atomistic Glassformer: the Connection to Thermodynamics
• Locally favoured structures and dynamic length scales in a simple glass-former
• Structural-dynamical transition in the Wahnström mixture
• Correlated disorder in a well relaxed model binary glass through a local SU(2) bonding topology
• Structure in Sheared Supercooled Liquids: Dynamical Rearrangements of an Effective System of Icosahedra
• Growing length scale accompanying the vitrification: A perspective based on non-singular density fluctuations
• Controlling local order of athermal self-propelled particles
• Yielding of a Model Glassformer: an Interpretation with an Effective System of Icosahedra