Tension and stiffness of the hard sphere crystal-fluid interface

Abstract

A combination of fundamental measure density functional theory and Monte Carlo computer simulation is used to determine the orientation-resolved interfacial tension and stiffness for the equilibrium hard-sphere crystal-fluid interface. Microscopic density functional theory is in quantitative agreement with simulations and predicts a tension of 0.66 kT/σ^2 with a small anisotropy of about 0.025 kT and stiffnesses with e.g. 0.53 kT/σ^2 for the (001) orientation and 1.03 kT/σ^2 for the (111) orientation. Here kT is denoting the thermal energy and σthe hard sphere diameter. We compare our results with existing experimental findings.

References in corpus (3)

• Density functional theory for hard-sphere mixtures: the White-Bear version Mark II
• The equilibrium intrinsic crystal-liquid interface of colloids
• Colloidal crystal growth at externally imposed nucleation clusters

Cited by in corpus (25)

• Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview
• Crystallization kinetics of colloidal model suspensions: recent achievements and new perspectives
• Colloidal Hard Spheres: Triumphs, Challenges and Mysteries
• Crystallization seeds favour crystallization only during initial growth
• Power functional theory for many-body dynamics
• Crystal-liquid interfacial free energy via thermodynamic integration
• Logarithmic Finite-Size Effects on Interfacial Free Energies: Phenomenological Theory and Monte Carlo Studies
• Premelting-Induced Smoothening of the Ice-Vapor Interface
• Crystal-liquid interfacial free energy of hard spheres via a novel thermodynamic integration scheme
• Phase diagram of two-dimensional hard rods from fundamental mixed measure density functional theory
• Machine-learning free-energy functionals using density profiles from simulations
• Crystal growth from a supersaturated melt: relaxation of the solid-liquid dynamic stiffness
• Classical Nucleation Theory for the Crystallization Kinetics in Sheared Liquids
• Computer simulation study of surface wave dynamics at the crystal--melt interface
• Free Energy Barriers for Crystal Nucleation from Fluid Phases
• Triple junction at the triple point resolved on the individual particle level
• The Primitive Model in Classical Density Functional Theory: Beyond the Standard Mean-Field Approximation
• Step Free Energies at Faceted Solid-Liquid Interfaces from Equilibrium Molecular Dynamics Simulations
• Statistical mechanics of crystal nuclei of hard spheres
• A Unified Theory of Free Energy Functionals and Applications to Diffusion
• In-plane structure of the electric double layer in the primitive model using classical density functional theory
• Hard rectangles near curved hard walls: tuning the sign of the Tolman length
• Interaction between two overall neutral charged microscopically patterned surfaces
• Anisotropy and memory during cage breaking events close to a wall
• Surface tension of bulky colloids, capillarity under gravity and the microscopic origin of the Kardar-Parisi-Zhang equation