Self-assembly of “Mickey Mouse” shaped colloids into tube-like structures: experiments and simulations
The self-assembly of anisotropic patchy particles with a triangular shape was studied by
experiments and computer simulations. The colloidal particles were synthesized in a two …
experiments and computer simulations. The colloidal particles were synthesized in a two …
Phase behaviour and dynamics of three-dimensional active dumbbell systems
We present a comprehensive numerical study of the phase behavior and dynamics of a
three-dimensional active dumbbell system with attractive interactions. We demonstrate that …
three-dimensional active dumbbell system with attractive interactions. We demonstrate that …
Self-assembly of patchy colloidal dumbbells
We employ Monte Carlo simulations to investigate the self-assembly of patchy colloidal
dumbbells interacting via a modified Kern-Frenkel potential by probing the system …
dumbbells interacting via a modified Kern-Frenkel potential by probing the system …
Cluster formation and phase separation in heteronuclear Janus dumbbells
We have recently investigated the phase behavior of model colloidal dumbbells constituted
by two identical tangent hard spheres, with the first being surrounded by an attractive square …
by two identical tangent hard spheres, with the first being surrounded by an attractive square …
Coarse-grained models for automated fragmentation and parametrization of molecular databases
JGEM Fraaije, J van Male, P Becherer… - Journal of Chemical …, 2016 - ACS Publications
We calibrate coarse-grained interaction potentials suitable for screening large data sets in
top-down fashion. Three new algorithms are introduced:(i) automated decomposition of …
top-down fashion. Three new algorithms are introduced:(i) automated decomposition of …
Phase separation and self-assembly of colloidal dimers with tunable attractive strength: from symmetrical square-wells to Janus dumbbells
We numerically investigate colloidal dimers with asymmetric interaction strengths to study
how the interplay between molecular geometry, excluded volume effects and attractive …
how the interplay between molecular geometry, excluded volume effects and attractive …
Anomalous diffusion and diffusion anomaly in confined Janus dumbbells
LB Krott, C Gavazzoni, JR Bordin - The Journal of Chemical Physics, 2016 - pubs.aip.org
Self-assembly and dynamical properties of Janus nanoparticles have been studied by
molecular dynamic simulations. The nanoparticles are modeled as dimers and they are …
molecular dynamic simulations. The nanoparticles are modeled as dimers and they are …
Waterlike features, liquid–crystal phase and self-assembly in Janus dumbbells
JR Bordin - Physica A: Statistical Mechanics and its Applications, 2016 - Elsevier
We explore the phase diagram of Janus nanoparticles using Molecular Dynamics
simulations. Each monomer in the dimer has distinct characteristics. One type of monomer …
simulations. Each monomer in the dimer has distinct characteristics. One type of monomer …
Self-assembly and water-like anomalies in janus nanoparticles
JR Bordin, LB Krott, MC Barbosa - Langmuir, 2015 - ACS Publications
We explore the pressure versus temperature phase diagram of a system of dimeric Janus
nanoparticles using molecular dynamics simulations. Each nanoparticle is modeled as a …
nanoparticles using molecular dynamics simulations. Each nanoparticle is modeled as a …
Encapsulation of spherical nanoparticles by colloidal dimers
We study by Monte Carlo simulation the coating process of colloidal dimers onto spherical
nanoparticles. To this end we investigate a simplified mixture of hard spheres (the guest …
nanoparticles. To this end we investigate a simplified mixture of hard spheres (the guest …