Kinetic phase diagram for nucleation and growth of competing crystal polymorphs in charged colloidal suspensions
arXiv:2203.12507 · doi:10.1103/PhysRevLett.129.098002
Abstract
We determine the full kinetic phase diagram for nucleation and growth of crystal phases in a suspension of charged colloids. We calculate nucleation barrier heights for face-centered cubic (fcc) and body-centered cubic (bcc) crystal phases for varying screening lengths and supersaturations using the seeding approach in extensive simulations. Using classical nucleation theory, we determine for the entire metastable fluid region the crystal polymorph with the lowest nucleation barrier. Surprisingly, we find a regime close to the triple point where metastable bcc can form due to a lower nucleation barrier, even though fcc is the stable phase. For higher supersaturation, we find that the difference in barrier heights decreases and we observe a mix of hexagonal close-packed (hcp), fcc and bcc structures in the growth of crystalline seeds as well as in spontaneously formed crystals.
References in corpus (11)
- Robust Structural Identification via Polyhedral Template Matching
- Accurate determination of crystal structures based on averaged local bond order parameters
- Visualizing kinetic pathways of homogeneous nucleation in colloidal crystallization
- Nonequilibrium free-energy calculation of solids using LAMMPS
- Crystallization kinetics of colloidal model suspensions: recent achievements and new perspectives
- Crystal Nucleation of Colloidal Suspensions under Shear
- A parameter-free, solid-angle based, nearest-neighbor algorithm
- Evidence for out-of-equilibrium crystal nucleation in suspensions of oppositely charged colloids
- Limit of validity of Ostwald's rule of stages in a statistical mechanical model of crystallization
- Experimental studies of crystal nucleation: metals and colloids
- Packing polydisperse colloids into crystals: when charge-dispersity matters