8 papers
Anatomy of a Complex Crystallization Pathway
Charlotte Shiqi Zhao, Domagoj Fijan, Sharon C. Glotzer
Using molecular dynamics simulations, we investigate the crystallization pathways of two exemplary systems that form the same complex crystal structure but differ fundamentally in…
Exploratory digital alchemy for colloidal crystal discovery
Shih-Kuang, Lee, Sun-Ting Tsai +1
Digital Alchemy (DA), introduced by Van Anders et al., is a statistical mechanics-based generalized thermodynamic ensemble method that employs computer simulations to optimize coll…
Quantifying Local Point-Group-Symmetry Order in Complex Particle Systems
Domagoj Fijan, Maria R. Ward Rashidi, Jenna Bradley +1
Crystals and other condensed phases are defined primarily by their inherent symmetries, which play a crucial role in dictating their structural properties. In crystallization studi…
Entropic Colloidal Crystal Prediction: A Quantum Density Functional Theory Inspired Approach
Kristi Pepa, Isaac R. Spivack, Trevor F. G. Teague +3
In pursuit of a colloidal analogue to quantum density functional theory (DFT) predictions of atomic crystal structures, we report a new, classical DFT that predicts the relative th…
Using Particle Shape to Control Defects in Colloidal Crystals on Spherical Interfaces
Gabrielle N. Jones, Philipp W. A. Schönhöfer, Sharon C. Glotzer
Spherical particles confined to a sphere surface cannot pack densely into a hexagonal lattice without defects. In this study, we use hard particle Monte Carlo simulations to determ…
Emergent Microrobotic Behavior of Active Flexicles in Complex Environments
Sophie Y. Lee, Philipp W. A. Schönhöfer, Sharon C. Glotzer
Collections of simple, self-propelled colloidal particles exhibit complex, emergent dynamical behavior, with promising applications in microrobotics. When confined within a deforma…