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Dense Packing of Tetrahedra in Cylinders
Gabrielle N. Jones, Adil Mughal, Philipp W. A. Schönhöfer +1
We present the first systematic investigation of regular tetrahedra densely packed within a circular cylinder. Combining numerical simulations with exact analytical theory, we clas…
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…
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…
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…
Collective behavior of "flexicles"
Philipp W. A. Schönhöfer, Sharon C. Glotzer
In recent years the functionality of synthetic active microparticles has edged even closer to that of their biological counterparts. However, we still lack the understanding needed…
Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation
Shih-Kuang, Lee, Sun-Ting Tsai +1
Detecting and analyzing the local environment is crucial for investigating the dynamical processes of crystal nucleation and shape colloidal particle self-assembly. Recent developm…
Complex motion of steerable vesicular robots filled with active colloidal rods
Sophie Y. Lee, Philipp W. A. Schönhöfer, Sharon C. Glotzer
While the collective motion of active particles has been studied extensively, effective strategies to navigate particle swarms without external guidance remain elusive. We introduc…
Rationalizing Euclidean Assemblies of Hard Polyhedra from Tessellations in Curved Space
Philipp W. A. Schönhöfer, Kai Sun, Xiaoming Mao +1
Entropic self-assembly is governed by the shape of the constituent particles, yet a priori prediction of crystal structures from particle shape alone is non-trivial for anything bu…
Curvature-Controlled Geometrical Lensing Behavior in Self-Propelled Colloidal Particle Systems
Philipp W. A. Schönhöfer, Sharon C. Glotzer
In many biological systems, the curvature of the surfaces cells live on influence their collective properties. Curvature should likewise influence the behavior of active colloidal…
Tuning Stoichiometry to Promote Formation of Binary Colloidal Superlattices
R. Allen LaCour, Timothy C. Moore, Sharon C. Glotzer
The self-assembly of binary nanoparticle superlattices from colloidal mixtures is a promising method for the fabrication of complex colloidal co-crystal structures. However, binary…
Shape-Driven Caging Dynamics of Hard Polygons
Vyas Ramasubramani, Thi Vo, Joshua A. Anderson +1
The fundamentals of Brownian motion have been largely well understood since the early 20th century, with most recent additions focusing on understanding anomalous diffusion via res…
Microscopic Theory of Entropic Bonding for Colloidal Crystal Prediction
Thi Vo, Sharon C. Glotzer
Entropy alone can self-assemble hard particles into colloidal crystals of remarkable complexity whose structures are the same as atomic and molecular crystals, but with larger latt…
Randomness in self-assembled colloidal crystals can widen photonic band gaps through particle shape and internal structure
Duanduan Wan, Sharon C. Glotzer
Using computer simulations, we explore how thermal noise-induced randomness in a self-assembled photonic crystal affects its photonic band gaps (PBGs). We consider a two-dimensiona…
Pinning Dislocations in Colloidal Crystals with Active Particles that Seek Stacking Faults
Bryan VanSaders, Sharon C. Glotzer
There is growing interest in functional, adaptive devices built from colloidal subunits of micron size or smaller. A colloidal material with dynamic mechanical properties could fac…
Looped liquid-liquid coexistence in protein crystallization
Jens Glaser, Sharon C. Glotzer
In view of the notorious complexity of protein--protein interactions, simplified models of proteins treated as patchy particles offer a promising strategy to obtain insight into th…
Energy Landscapes for Digital Alchemy
John W. R. Morgan, Sharon C. Glotzer
We apply energy landscape methods to digital alchemy, defining a system in which the parameters of the potential are treated as degrees of freedom. Using geometrical optimisation,…
Topological Order in Densely Packed Anisotropic Colloids
William Zygmunt, Erin G. Teich, Greg van Anders +1
The existence of topological order is frequently associated with strongly coupled quantum matter. Here, we demonstrate the existence of topological phases in classical systems of d…
FCC-to-BCC phase transitions in convex and concave hard particle systems
Duanduan Wan, Chrisy Xiyu Du, Greg van Anders +1
Particle shape plays an important role in the phase behavior of colloidal self-assembly. Recent progress in particle synthesis has made particles of polyhedral shapes and dimpled s…
Mapping Disorder in Entropically Ordered Crystals
James A. Antonaglia, Greg van Anders, Sharon C. Glotzer
Systems of hard shapes crystallize due to entropy. How is entropy distributed among translational and rotational microscopic contributions? We answer this question by decomposing t…
Strain Fields in Repulsive Colloidal Crystals
Bryan VanSaders, Julia Dshemuchadse, Sharon C. Glotzer
The concept of a local linear elastic strain field is commonly used in the metallurgical research community to approximate the collective effect of atomic displacements around crys…
Shapes within shapes: how particles arrange inside a cavity
Duanduan Wan, Sharon C. Glotzer
We calculate the configurational entropy of hard particles confined in a cavity using Monte Carlo integration. Multiple combinations of particle and cavity shapes are considered. F…
Relevance of Packing to Colloidal Self-Assembly
Rose Cersonsky, Greg van Anders, Paul M. Dodd +1
Since the 1920s, packing arguments have been used to rationalize crystal structures in systems ranging from atomic mixtures to colloidal crystals. Packing arguments have recently b…