Solidification in soft-core fluids: disordered solids from fast solidification fronts

Abstract

Using dynamical density functional theory we calculate the speed of solidification fronts advancing into a quenched two-dimensional model fluid of soft-core particles. We find that solidification fronts can advance via two different mechanisms, depending on the depth of the quench. For shallow quenches, the front propagation is via a nonlinear mechanism. For deep quenches, front propagation is governed by a linear mechanism and in this regime we are able to determine the front speed via a marginal stability analysis. We find that the density modulations generated behind the advancing front have a characteristic scale that differs from the wavelength of the density modulation in thermodynamic equilibrium, i.e., the spacing between the crystal planes in an equilibrium crystal. This leads to the subsequent development of disorder in the solids that are formed. For the one-component fluid, the particles are able to rearrange to form a well-ordered crystal, with few defects. However, solidification fronts in a binary mixture exhibiting crystalline phases with square and hexagonal ordering generate solids that are unable to rearrange after the passage of the solidification front and a significant amount of disorder remains in the system.

18 pages, 14 figs

References in corpus (42)

• Front propagation into unstable states
• Dynamic Density Functional Theory of Fluids
• Dynamical density functional theory and its application to spinodal decomposition
• Can Polymer Coils be modeled as "Soft Colloids"?
• Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview
• Accurate effective pair potentials for polymer solutions
• Microscopic Theory of Heterogeneity and Non-Exponential Relaxations in Supercooled Liquids
• Visualizing kinetic pathways of homogeneous nucleation in colloidal crystallization
• Dynamical density functional theory for interacting Brownian particles: stochastic or deterministic?
• Fluid and solid phases of the Gaussian core model
• Derivation of the phase field crystal model for colloidal solidification
• Why do ultrasoft repulsive particles cluster and crystallize? Analytical results from density functional theory
• Phase-field crystal modeling of equilibrium bcc-liquid interfaces
• Morphology changes in the evolution of liquid two-layer films
• Pattern formation with a conservation law
• Localized states in the conserved Swift-Hohenberg equation with cubic nonlinearity
• Quasicrystalline order and a crystal-liquid state in a soft-core fluid
• Effective interactions between star polymers and colloidal particles
• Amorphous nucleation precursor in highly nonequilibrium fluids
• Dynamical density functional theory: binary phase-separating colloidal fluid in a cavity
• Diffusion and Relaxation Dynamics in Cluster Crystals
• Reentrant and Isostructural Transitions in a Cluster-Crystal Former
• Equilibrium glassy phase in a polydisperse hard sphere system
• Solidification fronts in supercooled liquids: how rapid fronts can lead to disordered glassy solids
• Microscopically-resolved simulations prove the existence of soft cluster crystals
• Heterogeneities in Supercooled liquids: A Density Functional Study
• Phase separation in star polymer-colloid mixtures
• Glass Transition of Hard Sphere Systems: Molecular Dynamics and Density Functional Theory
• Modelling fluids and crystals using a two-component modified phase field crystal model
• Coarse-graining polymers as soft colloids
• Modelling the evaporation of thin films of colloidal suspensions using Dynamical Density Functional Theory
• Structure, phase behavior and inhomogeneous fluid properties of binary dendrimer mixtures
• A Monte Carlo method for chemical potential determination in single and multiple occupancy crystals
• Microscopic theory of solvent mediated long range forces: influence of wetting
• Dynamical density functional theory: phase separation in a cavity and the influence of symmetry
• Density functional theory for the freezing of soft-core fluids
• Demixing cascades in cluster crystals
• Liquid to solid nucleation via onion structure droplets
• Crystallization: Colloidal suspense
• Spinodal decomposition of a binary magnetic fluid confined to a surface
• [N]pT ensemble and finite-size scaling study of the GEM-4 critical isostructural transition
• Dynamics in binary cluster crystals

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