Issue 18, 2016

Dynamical properties of two- and three-dimensional colloidal clusters of six particles

Abstract

Colloidal clusters are important systems for studying self-assembly. Clusters of six colloidal particles attracting each other via short-ranged interactions have been recently studied both theoretically and experimentally. Here we present a computer modelling study of the thermodynamics and dynamics of these clusters using a short-ranged Morse potential in two and three dimensions. We combine energy landscape methods with comprehensive sampling, both of configurations using Markov chain Monte Carlo and also of trajectories using Langevin molecular dynamics propagation. We show that the interaction energies between the particles are probably greater than previously assumed. The rates predicted by transition state theory using harmonic vibrational densities of states are off by four orders of magnitude, since the effects of viscosity are not accounted for. In contrast, sampling short trajectories using an appropriate friction constant and discrete relaxation path sampling produces reasonable agreement with the experimental rates.

Graphical abstract: Dynamical properties of two- and three-dimensional colloidal clusters of six particles

Article information

Article type
Paper
Submitted
30 Jan 2016
Accepted
11 Mar 2016
First published
14 Mar 2016

Phys. Chem. Chem. Phys., 2016,18, 12725-12732

Dynamical properties of two- and three-dimensional colloidal clusters of six particles

B. Fačkovec, J. W. R. Morgan and D. J. Wales, Phys. Chem. Chem. Phys., 2016, 18, 12725 DOI: 10.1039/C6CP00677A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements