Solid-Liquid Interface Dynamics in Metallic Systems

The dynamics of solid–liquid interfaces in metallic systems underpin a wide range of natural phenomena and industrial processes, from casting and welding to additive manufacturing and energy storage. At the atomic scale, the interface mediates heat and mass transport, structural ordering and nucleation events that determine microstructure, mechanical properties and corrosion resistance. Recent advances in experimental techniques such as high-resolution transmission electron microscopy and X-ray diffraction, alongside computational methods including ab initio and classical molecular dynamics, have revealed complex layering, density oscillations and diffusion pathways in the liquid adjacent to various substrates. These interfacial phenomena control heterogeneous nucleation kinetics, crystal growth morphologies and grain refinement strategies. Understanding the interplay between substrate chemistry, lattice mismatch and interfacial structuring is therefore essential for designing alloys with tailored properties, improving cast component quality and optimising emerging technologies such as metal 3D printing and thermal energy conversion systems worldwide.

Research from Nature Portfolio

Recent studies have employed advanced molecular techniques to unveil pre-nucleation layering and three-dimensional structuring of liquids at solid interfaces. Investigations combining X-ray crystal truncation rod analysis with ab initio molecular dynamics have shown that even poor nucleants induce distinct pre-nucleation layers in aluminium melts, revealing that atomic-scale layering can promote stochastic nucleation events independent of classical layer-by-layer adsorption. Complementary molecular dynamics simulations of face-centred-cubic metal surfaces have demonstrated that liquid metals adjacent to solid substrates form complex two-level density structures, with a dominant body-centred tetragonal arrangement and high-density zones connected by preferential diffusion pathways. These findings deepen our understanding of how interface-induced ordering governs nucleation kinetics and crystal growth morphologies in metallic systems.

Solid-Liquid Interface Dynamics in Metallic Systems publication trend

The graph below shows the total number of articles in solid-liquid interface dynamics in metallic systems across all publications each year (not limited to Nature Index journals).

Technical terms

Pre-nucleation layering: Atomic ordering of the liquid phase adjacent to a solid substrate at temperatures above the nucleation point, forming structural templates that precede crystal formation.

Lattice misfit: The relative difference in atomic spacing between a substrate and an overlying crystal phase, influencing interfacial strain and nucleation mechanisms.

Coincidence site lattice (CSL): A superlattice formed when a fraction of lattice sites from two crystalline lattices coincide, reducing interfacial energy by accommodating misfit.

Structural templating: The process by which the atomic arrangement of a substrate induces a corresponding ordering in the adjacent liquid, guiding nucleation orientation and kinetics.

Two-dimensional nucleus: A planar layer of ordered solid atoms formed at the interface, serving as a precursor to three-dimensional crystal growth.

References

1. Atomistics of pre-nucleation layering of liquid metals at the interface with poor nucleants. Communications Chemistry (2019).
2. Three-Dimensional Structure of a Simple Liquid at a Face-Centered-Cubic (001) Solid Surface Interface. Scientific Reports (2016).
3. Interfacial interaction and prenucleation at liquid-Al/-Al2O3{1 1 1} interfaces. Journal of Physics Communications (2021).
4. A New Atomistic Mechanism for Heterogeneous Nucleation in the Systems with Negative Lattice Misfit: Creating a 2D Template for Crystal Growth. Metals (2021).