Crystallization and arrest mechanisms of model colloids

Area of Science:

• Physical Chemistry
• Computational Physics
• Materials Science

Background:

• Understanding crystallization pathways is crucial for materials design.
• The role of attractive interactions in phase transitions requires further investigation.
• Dynamic simulations offer insights into complex molecular behaviors.

Purpose of the Study:

• To explore crystallization pathways of spheres with short-range attractive interactions.
• To identify parameter regimes leading to fast crystallization.
• To characterize different crystallization mechanisms and potential failures.

Main Methods:

• Dynamic simulations of spherical particles.
• Systematic variation of interaction strength and range parameters.
• Analysis of crystallization pathways, including nucleation and cluster formation.
• Local common neighbor analysis to detect arrested states.

Main Results:

• Fast crystallization observed in a localized region of the parameter space.
• Identified one-step (gas-to-crystal) and two-step (via liquid-like clusters) crystallization pathways.
• Crystallization failure mechanisms include slow nucleation and dynamic arrest.
• Arrested states characterized by tetrahedral networks detected via common neighbor analysis.

Conclusions:

• Crystallization dynamics are complex and depend on interaction parameters.
• Distinct pathways and failure modes exist for sphere crystallization.
• Dynamic arrest in these systems is linked to specific network structures.