Structural short-range forces between solid-melt interfaces

Abstract

We predict the structural interaction of crystalline solid-melt interfaces using amplitude equations which are derived from classical density functional theory or phase-field-crystal modeling. The solid ordering decays exponentially on the scale of the interface thickness at solid-melt interfaces; the overlap of two such profiles leads to a short range interaction, which is mainly carried by the longest-range density waves, which can facilitate grain boundary premelting. We calculate the tail of these interactions, depending on the relative translation of the two crystals fully analytically and predict the interaction potential, and compare it to numerical simulations. For grain boundaries the interaction is predicted to decay twice faster as for two crystals without misorientation.

References in corpus (5)

• Phase-field crystal study of grain-boundary premelting
• Phase-field crystal modeling of equilibrium bcc-liquid interfaces
• Melting at dislocations and grain boundaries: A Phase Field Crystal study
• Phase-field-crystal study of grain boundary premelting and shearing in bcc iron
• Method for Computing Short-Range Forces between Solid-Liquid Interfaces Driving Grain Boundary Premelting

Cited by in corpus (10)

• Phase-field-crystal study of grain boundary premelting and shearing in bcc iron
• Thermodynamic theory of equilibrium fluctuations
• Complex order-parameter phase-field models derived from structural phase-field-crystal models
• Phase field modelling of grain boundary premelting using obstacle potentials
• Non-linear elastic effects in phase field crystal and amplitude equations: Comparison to ab initio simulations of bcc metals and graphene
• Self-consistent modeling of anisotropic interfaces and missing orientations: Derivation from phase-field crystal
• Modeling of grain boundary dynamics using amplitude equations
• The influence of short range forces on melting along grain boundaries
• Elastic and plastic effects on heterogeneous nucleation and nanowire formation
• From wetting to melting along grain boundaries using phase field and sharp interface methods