Modeling multiple time scales during glass formation with phase-field crystals

Abstract

The dynamics of glass formation in monatomic and binary liquids are studied numerically using a microscopic field theory for the evolution of the time-averaged atomic number density. A stochastic framework combining phase field crystal free energies and dynamic density functional theory is shown to successfully describe several aspects of glass formation over multiple time scales. Agreement with mode coupling theory is demonstrated for underdamped liquids at moderate supercoolings, and a rapidly growing dynamic correlation length is found to be associated with fragile behavior.

4+ pages, 4 figures, to appear in Physical Review Letters

References in corpus (8)

• Theory of Structural Glasses and Supercooled Liquids
• Phase-field Crystals with Elastic Interactions
• Dynamical density functional theory for interacting Brownian particles: stochastic or deterministic?
• Colloidal glass transition observed in confinement
• Dynamical density functional theory for molecular and colloidal fluids: a microscopic approach to fluid mechanics
• Dynamical density functional theory for dense atomic liquids
• Critical fluctuations and breakdown of Stokes-Einstein relation in the Mode-Coupling Theory of glasses
• Mode coupling theory in the FDR-preserving field theory of interacting Brownian particles

Cited by in corpus (20)

• Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview
• Classical dynamical density functional theory: from fundamentals to applications
• Defect stability in phase-field crystal models: Stacking faults and partial dislocations
• New density functional approach for solid-liquid-vapor transitions in pure materials
• Phase-field-crystal models and mechanical equilibrium
• Superadiabatic forces in Brownian many-body dynamics
• Modelling fluids and crystals using a two-component modified phase field crystal model
• A mesoscopic field theoretical approach for active systems
• Predictive local field theory for interacting active Brownian spheres in two spatial dimensions
• A Navier Stokes Phase Field Crystal Model for Colloidal Suspensions
• Two-dimensional localized states in an active phase-field-crystal model
• A microscopic field theoretical approach for binary mixtures of active and passive particles
• Non-linear elastic effects in phase field crystal and amplitude equations: Comparison to ab initio simulations of bcc metals and graphene
• Atomic structure of grain boundaries in iron modeled using the atomic density function
• Scale coupling and interface pinning effects in the phase-field-crystal model
• Thermo-Density Coupling in PFC Type Models for the Study of Rapid Crystallization
• Hydrodynamic theory of freezing: Nucleation and polycrystalline growth
• Thermodynamics, formation dynamics and structural correlations in the bulk amorphous phase of the phase-field crystal model
• Competition of glass and crystal: phase-field model
• Crystallization and order-disorder transition of colloidal particles in a drying suspension: a phase field crystal approach