Modeling solid-state dewetting of a single-crystal binary alloy thin films

TL;DR

This paper develops a comprehensive continuum model for solid-state dewetting of binary alloy thin films, incorporating surface and bulk diffusion, phase separation, segregation, and particle formation, with analytical and computational analysis of stability and morphology.

Contribution

It introduces a new multi-parameter model for alloy dewetting that includes phase separation and segregation, providing analytical solutions and stability analysis.

Findings

Analytical solution for equilibrium surface segregation.

Dependence of particle size on physical parameters.

Formation of core-shell particles with specific compositional layering.

Abstract

Dewetting of a binary alloy thin film is studied using a continuum many-parameter model that accounts for the surface and bulk diffusion, the bulk phase separation, the surface segregation and the particles formation. Analytical solution is found for the quasistatic equilibrium concentration of a surface-segregated atomic species. This solution is factored into the nonlinear and coupled evolution PDEs for the bulk composition and surface morphology. Stability of a planar film surface with respect to small perturbations of the shape and composition is analyzed, revealing the dependence of the particles size on major physical parameters. Computations show various scenarios of the particles formation and the redistribution of the alloy components inside the particles and on their surface. In most situations, for the alloy film composed initially of 50% A and 50% B atoms, a core-shell particles are formed, and they are located atop a wetting layer that is modestly rich in the B phase. Then the particles shell is the nanometric segregated layer of the A phase, and the core is the alloy that is modestly rich in the A phase.