A three-dimensional phase field model for nanowire growth by the vapor–liquid–solid mechanism

We present a three-dimensional multi-phase field model for catalyzed nanowire (NW) growth by the vapor?liquid?solid (VLS) mechanism. The equation of motion contains both a Ginzburg?Landau term for deposition and a diffusion (Cahn?Hilliard) term for interface relaxation without deposition. Direct deposition from vapor to solid, which competes with NW crystal growth through the molten catalyst droplet, is suppressed by assigning a very small kinetic coefficient at the solid?vapor interface. The thermodynamic self-consistency of the model is demonstrated by its ability to reproduce the equilibrium contact angles at the VLS junction. The incorporation of orientation dependent gradient energy leads to faceting of the solid?liquid and solid?vapor interfaces. The model successfully captures the curved shape of the NW base and the Gibbs?Thomson effect on growth velocity.