Fast generation of ultrastable computer glasses by minimization of an augmented potential energy

Abstract

We present a model and protocol that enable the generation of extremely stable computer glasses at minimal computational cost. The protocol consists of an instantaneous quench in an augmented potential energy landscape, with particle radii as additional degrees of freedom. We demonstrate how our glasses' mechanical stability, which is readily tunable in our approach, is reflected both in microscopic and macroscopic observables. Our observations indicate that the stability of our computer glasses is at least comparable to that of computer glasses generated by the celebrated Swap Monte Carlo algorithm. Strikingly, some key properties support even qualitatively enhanced stability in our scheme: the density of quasilocalized excitations displays a gap in our most stable computer glasses, whose magnitude scales with the polydispersity of the particles. We explain this observation, which is consistent with the lack of plasticity we observe at small stress. It also suggests that these glasses are depleted from two-level systems, similarly to experimental vapor-deposited ultrastable glasses.

arXiv comment11 pages, 10 figures

References in corpus (26)

• Jamming at Zero Temperature and Zero Applied Stress: the Epitome of Disorder
• Testing Mode-Coupling Theory for a Supercooled Binary Lennard-Jones Mixture I: The van Hove Correlation Function
• Effects of compression on the vibrational modes of marginally jammed solids
• Models and algorithms for the next generation of glass transition studies
• On the Rigidity of Amorphous Solids
• A random critical point separates brittle and ductile yielding transitions in amorphous materials
• Continuum limit of the vibrational properties of amorphous solids
• Perspective: Highly stable vapor-deposited glasses
• Statistics and properties of low-frequency vibrational modes in structural glasses
• Fast Monte Carlo algorithm for supercooled soft spheres
• Universal Spectrum of Normal Modes in Low-Temperature Glasses: an Exact Solution
• Suppression of tunneling two-level systems in ultrastable glasses of indomethacin
• Excess Vibrational Modes and the Boson Peak in Model Glasses
• Universal non-phononic density of states in 2D, 3D and 4D glasses
• Do Athermal Amorphous Solids Exist?
• A stability-reversibility map unifies elasticity, plasticity, yielding and jamming in hard sphere glasses
• Elasto-plastic description of brittle failure in amorphous materials
• Spatial structure of quasi-localized vibrations in nearly jammed amorphous solids
• Driving-induced crossover: from classical criticality to self-organized criticality
• A characteristic energy scale in glasses
• Nonlinear plastic modes in disordered solids
• The Static Lengthscale Characterizing the Glass Transition at Lower Temperatures
• Theory for Swap Acceleration near the Glass and Jamming Transitions
• Soft Modes, Localization and Two-Level Systems in Spin Glasses
• Frustration-induced internal stresses are responsible for quasilocalized modes in structural glasses
• Elastic Moduli and Vibrational Modes in Jammed Particulate Packings

Cited by in corpus (49)

• Predicting plasticity in disordered solids from structural indicators
• Glass stability changes the nature of yielding under oscillatory shear
• Pinching a glass reveals key properties of its soft spots
• Universality of the nonphononic vibrational spectrum across different classes of computer glasses
• Efficient swap algorithms for molecular dynamics simulations of equilibrium supercooled liquids
• Wave attenuation in glasses: Rayleigh and generalized-Rayleigh scattering scaling
• A simple and broadly-applicable definition of shear transformation zones
• Ultrastable metallic glasses in silico
• Brittle yielding of amorphous solids at finite shear rates
• Nonlinear quasilocalized excitations in glasses. I. True representatives of soft spots
• Soft particles at liquid interfaces: From molecular particle architecture to collective phase behavior
• Free-then-freeze: transient learning degrees of freedom for introducing function in materials
• Role of fluctuations in the yielding transition of two-dimensional glasses
• Theory for the density of interacting quasi-localised modes in amorphous solids
• Mechanical properties of simple computer glasses
• Mechanical disorder of sticky-sphere glasses. I. Effect of attractive interactions
• Correlations of non-affine displacements in metallic glasses through the yield transition
• Creating bulk ultrastable glasses by random particle bonding
• Machine-learning-assisted Monte Carlo fails at sampling computationally hard problems
• Universal non-mean-field scaling in the density of state of amorphous solids
• Athermal fluctuations in disordered crystals
• Thermal origin of quasi-localised excitations in glasses
• Irreversible Monte Carlo algorithms for hard disk glasses: from event-chain to collective swaps
• Mechanical disorder of sticky-sphere glasses. II. Thermo-mechanical inannealability
• Marginal Stability Enables Memory Training in Jammed Solids
• Rare events and disorder control the brittle yielding of well-annealed amorphous solids
• Computer simulations of the glass transition and glassy materials
• Flow heterogeneities in supercooled liquids and glasses under shear
• Stable glassy configurations of the Kob-Andersen model using swap Monte Carlo
• Mean-field description for the architecture of low-energy excitations in glasses
• Disorder Perturbation Expansion for Athermal Crystals
• Mean field theory of jamming of nonspherical particles
• Variability of mesoscopic mechanical disorder in disordered solids
• Internally-stressed and positionally-disordered minimal complexes yield glasslike nonphononic excitations
• Low energy excitations of mean-field glasses
• Creating equilibrium glassy states via random particle bonding
• The Ideal Glass and the Ideal Disk Packing in Two Dimensions
• Athermal fluctuations in three dimensional disordered crystals
• Thermodynamic Equivalence of Cyclic Shear and Deep Cooling in Glass-Formers
• Theory for the single-particle dynamics in glassy mixtures with particle size swaps
• Irreversible swap algorithms for soft sphere glasses
• Effects of Polydispersity on the Plastic Behaviors of Dense 2D Granular Systems Under Shear
• Tuning collective actuation of active solids by optimizing activity localization
• Computational Methods toward Ultrastable Glasses
• Active responsive colloids driven by intrinsic dichotomous noise
• Yielding in dense active matter
• Brittle to ductile transitions in glasses: Roles of soft defects and loading geometry
• Modulating internal transition kinetics in responsive macromolecules by collective crowding
• Particle pinning as a method to manipulate marginal stability