Stable glassy configurations of the Kob-Andersen model using swap Monte Carlo

Abstract

The swap Monte Carlo algorithm allows the preparation of highly stable glassy configurations for a number of glass-formers, but is inefficient for some models, such as the much studied binary Kob-Andersen (KA) mixture. We have recently developed generalisations to the KA model where swap can be very effective. Here, we show that these models can in turn be used to considerably enhance the stability of glassy configurations in the original KA model at no computational cost. We successfully develop several numerical strategies both in and out of equilibrium to achieve this goal and show how to optimise them. We provide several physical measurements indicating that the proposed algorithms considerably enhance mechanical and thermodynamic stability in the KA model, including a transition towards brittle yielding behaviour. Our results thus pave the way for future studies of stable glasses using the KA model.

arXiv comment7 pages, 5 figs

References in corpus (40)

• Theoretical perspective on the glass transition and amorphous materials
• Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture I: The van Hove Correlation Function
• The relationship between fragility, configurational entropy and the potential energy landscape of glass forming liquids
• Models and algorithms for the next generation of glass transition studies
• Strain localization and percolation of stable structure in amorphous solids
• A random critical point separates brittle and ductile yielding transitions in amorphous materials
• Shear localization in a model glass
• Low-frequency vibrational modes of stable glasses
• Equilibrium sampling of hard spheres up to the jamming density and beyond
• Nonperturbative effect of attractive forces in viscous liquids
• The Monte-Carlo dynamics of a binary Lennard-Jones glass-forming mixture
• Configurational entropy measurements in extremely supercooled liquids that break the glass ceiling
• Measuring Spatial Distribution of Local Elastic Modulus in Glasses
• Glass stability changes the nature of yielding under oscillatory shear
• Zero-temperature glass transition in two dimensions
• Corresponding States of Structural Glass Formers. II
• Locally preferred structures and many-body static correlations in viscous liquids
• Model Vapor-Deposited Glasses: Growth Front and Composition Effects
• Large-deviation properties of largest component for random graphs
• Efficient swap algorithms for molecular dynamics simulations of equilibrium supercooled liquids
• Depletion of two-level systems in ultrastable computer-generated glasses
• Fast generation of ultrastable computer glasses by minimization of an augmented potential energy
• Does the Adam-Gibbs relation hold in simulated supercooled liquids?
• Non-Equilibrium Phase Transition in an Atomistic Glassformer: the Connection to Thermodynamics
• Ultrastable metallic glasses in silico
• Density of states of a binary Lennard-Jones Glass
• Preparation and relaxation of very stable glassy states of a simulated liquid
• Nature of excitations and defects in structural glasses
• Brittle yielding of amorphous solids at finite shear rates
• Solid-like mean-square displacement in glass-forming liquids
• Density controls the kinetic stability of ultrastable glasses
• How to "measure" a structural relaxation time that is too long to be measured?
• Mechanical annealing of model glasses: Effects of strain amplitude and temperature
• Role of fluctuations in the yielding transition of two-dimensional glasses
• Mechanical properties of simple computer glasses
• Dynamic and thermodynamic crossover scenarios in the Kob-Andersen mixture: Insights from multi-CPU and multi-GPU simulations
• Efficient Monte Carlo simulation of a glass forming binary mixture
• Finite-dimensional vestige of spinodal criticality above the dynamical glass transition
• Structure of inactive states of a binary Lennard-Jones mixture
• Thermodynamic Equivalence of Cyclic Shear and Deep Cooling in Glass-Formers

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• Exploring canyons in glassy energy landscapes using metadynamics
• Amorphous Solidification of a Supercooled Liquid in the Limit of Rapid Cooling
• Swap Monte Carlo for diatomic molecules
• Computational Methods toward Ultrastable Glasses