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Multiscale modeling of solute diffusion in triblock copolymer membranes
Anthony J. Cooper, Michael P. Howard, Sanket Kadulkar +5
We develop a multiscale simulation model for diffusion of solutes through porous triblock copolymer membranes. The approach combines two techniques: self-consistent field theory (S…
Dynamics of equilibrium linked colloidal gels
Taejin Kwon, Tanner A. Wilcoxson, Delia J. Milliron +1
Colloids that attractively bond to only a few neighbors (e.g., patchy particles) can form equilibrium gels with distinctive dynamic properties that are stable in time. Here, we use…
Depletion-Driven Morphological Control of Bundled Actin Networks
James Clarke, Francis Cavanna, Anne D. Crowell +10
The actin cytoskeleton is a semiflexible biopolymer network whose morphology is controlled by a wide range of biochemical and physical factors. Actin is known to undergo a phase tr…
Effects of linker flexibility on phase behavior and structure of linked colloidal gels
Michael P. Howard, Zachary M. Sherman, Adithya N Sreenivasan +4
Colloidal nanocrystal gels can be assembled using a difunctional "linker" molecule to mediate bonding between nanocrystals. The conditions for gelation and the structure of the gel…
Wertheim's thermodynamic perturbation theory with double-bond association and its application to colloid-linker mixtures
Michael P. Howard, Zachary M. Sherman, Delia J. Milliron +1
We extend Wertheim's thermodynamic perturbation theory to derive the association free energy of a multicomponent mixture for which double bonds can form between any two pairs of th…
Inverse methods for design of soft materials
Zachary M. Sherman, Michael P. Howard, Beth A. Lindquist +2
Functional soft materials, comprising colloidal and molecular building blocks that self-organize into complex structures as a result of their tunable interactions, enable a wide ar…
Universal Gelation of Metal Oxide Nanocrystals via Depletion Attractions
Camila A. Saez Cabezas, Zachary M. Sherman, Michael P. Howard +6
Nanocrystal gelation provides a powerful framework to translate nanoscale properties into bulk materials and to engineer emergent properties through the assembled microstructure. H…
Structure and phase behavior of polymer-linked colloidal gels
Michael P. Howard, Ryan B. Jadrich, Beth A. Lindquist +4
Low-density "equilibrium" gels that consist of a percolated, kinetically arrested network of colloidal particles and are resilient to aging can be fabricated by restricting the num…
Assembly of particle strings via isotropic potentials
Debapriya Banerjee, Beth A. Lindquist, Ryan B. Jadrich +1
Assembly of spherical colloidal particles into extended structures, including linear strings, in the absence of directional interparticle bonding interactions or external perturbat…
Cross-stream migration of a Brownian droplet in a polymer solution under Poiseuille flow
Michael P. Howard, Thomas M. Truskett, Arash Nikoubashman
The migration of a Brownian fluid droplet in a parallel-plate microchannel was investigated using dissipative particle dynamics computer simulations. In a Newtonian solvent, the dr…
Design of nanoparticles for generation and stabilization of CO2-in-brine foams with or without added surfactants
Andrew J. Worthen, Shehab Alzobaidi, Vu Tran +9
Whereas many studies have examined stabilization of emulsions and foams in low salinity aqueous phases with nanoparticles (NPs) with and without added surfactants, interest has gro…
From Close-Packed to Topologically Close-Packed: Formation of Laves Phases in Moderately Polydisperse Hard-Sphere Mixtures
Beth A. Lindquist, Ryan B. Jadrich, Thomas M. Truskett
Particle size polydispersity can help to inhibit crystallization of the hard-sphere fluid into close-packed structures at high packing fractions and thus is often employed to creat…
Inverse Design of Multicomponent Assemblies
William D. Piñeros, Beth A. Lindquist, Ryan B. Jadrich +1
Inverse design can be a useful strategy for discovering interactions that drive particles to spontaneously self-assemble into a desired structure. Here, we extend an inverse design…
Design of two-dimensional particle assemblies using isotropic pair interactions with an attractive well
William D. Piñeros, Ryan B. Jadrich, Thomas M. Truskett
Using ground-state and relative-entropy based inverse design strategies, isotropic interactions with an attractive well are determined to stabilize and promote as- sembly of partic…
Designing Pairwise Interactions that Stabilize Open Crystals: Truncated Square and Truncated Hexagonal Lattices
William D. Piñeros, Thomas M. Truskett
Using a recently introduced formulation of the ground-state inverse design problem for a targeted lattice [Piñeros et al., J. Chem. Phys. 144} 084502 (2016)], we discover purely re…
Interactions and design rules for assembly of porous colloidal mesophases
Beth A. Lindquist, Sayantan Dutta, Ryan B. Jadrich +2
Porous mesophases, where well-defined particle-depleted 'void' spaces are present within a particle-rich background fluid, can be self-assembled from colloidal particles interactin…
Designing convex repulsive pair potentials that favor assembly of kagome and snub square lattices
William D. Piñeros, Michael Baldea, Thomas M. Truskett
Building on a recently introduced inverse strategy, isotropic and convex repulsive pair potentials were designed that favor assembly of particles into kagome and equilateral snub s…
On the Formation of Equilibrium Gels via a Macroscopic Bond Limitation
Beth A. Lindquist, Ryan B. Jadrich, Delia J. Milliron +1
Restricting the number of attractive physical "bonds" that can form between particles in a fluid suppresses the usual demixing phase transition to very low particle concentrations,…
Fluids with competing interactions: II. Validating a free energy model for equilibrium cluster size
Jonathan A. Bollinger, Thomas M. Truskett
Using computer simulations, we validate a simple free energy model that can be analytically solved to predict the equilibrium size of self-limiting clusters of particles in the flu…
Fluids with competing interactions: I. Decoding the structure factor to detect and characterize self-limited clustering
Jonathan A. Bollinger, Thomas M. Truskett
We use liquid state theory and computer simulations to gain insights into the shape of the structure factor for fluids of particles interacting via a combination of short-range att…
Consequences of minimizing pair correlations in fluids for dynamics, thermodynamics, and structure
Ryan B. Jadrich, Beth A. Lindquist, Jonathan A. Bollinger +1
Liquid-state theory, computer simulation, and numerical optimization are used to investigate the extent to which positional correlations of a hard-sphere fluid--as characterized by…
Breadth versus depth: Interactions that stabilize particle assemblies to changes in density or temperature
William D. Piñeros, Michael Baldea, Thomas M. Truskett
We use inverse methods of statistical mechanics to explore trade-offs associated with designing interactions to stabilize self-assembled structures against changes in density or te…
Graphoepitaxy for translational and orientational ordering of monolayers of rectangular nanoparticles
Mark E. Ferraro, Thomas M. Truskett, Roger T. Bonnecaze
The combinations of particle aspect ratio and enthalpic-barrier templates that lead to translational and orientational ordering of monolayers of rectangular particles are determine…
Assembly of nothing: Equilibrium fluids with designed structured porosity
Beth A. Lindquist, Ryan B. Jadrich, Thomas M. Truskett
Controlled micro- to meso-scale porosity is a common materials design goal with possible applications ranging from molecular gas adsorption to particle size selective permeability…