arXiv subjects

Fergus J. Moore

Publications and source records attributed to Fergus J. Moore.

5 recordsLinked to original sources

arXiv2024

Identification and classification of clusters of dipolar colloids in an external field

Colloids can acquire a dipolar interaction in the presence of an external electric field. At high field strength, the particles form strings in the field direction. However at weaker field strength, competition with isotropic interactions is expected. One means to investigate this interplay between dipolar and isotropic interactions is to consider clusters of such particles. We have therefore identified, using the GMIN basinhopping tool, a rich library of lowest energy clusters of a dipolar colloidal system where the dipole orientation is fixed with respect to the z-axis, and the dipole strength is varied for m--membered clusters of 7 <= m <=13. In the regime where the isotropic and dipolar interactions are comparable, we find elongated polytetrahedral, octahedral and spiral clusters as well as a set of non--rigid clusters which emerge close to the transition to strings. We further implement a search algorithm which identifies these minimum energy clusters in bulk systems using the topological cluster classification [J. Chem. Phys. 139 234506 (2013)]. We demonstrate this methodology with computer simulations which shows instances of these clusters as a function of dipole strength.

cond-mat.soft↗

arXiv2023

Active Brownian Particles in Random and Porous Environments

The transport of active particles may occur in complex environments, in which it emerges from the interplay between the mobility of the active components and the quenched disorder of the environment. Here we explore structural and dynamical properties of Active Brownian Particles (ABPs) in random environments composed of fixed obstacles in three dimensions. We consider different arrangements of the obstacles. In particular, we consider two particular situations corresponding to experimentally realizable settings. Firstly, we model pinning particles in (non--overlapping) random positions and secondly in a percolating gel structure, and provide an extensive characterization of the structure and dynamics of ABPs in these complex environments. We find that the confinement increases the heterogeneity of the dynamics, with new populations of absorbed and localized particles appearing close to the obstacles. This heterogeneity has a profound impact on the motility induced phase separation (MIPS) exhibited by the particles at high activity, ranging from nucleation and growth in random disorder to a complex phase separation in porous environments.

cond-mat.soft↗

arXiv2022

How effective are face coverings in reducing transmission of COVID-19?

In the COVID-19 pandemic, billions are wearing face masks, in both health care settings and in public. Which type of mask we should wear in what situation, is therefore important. There are three basic types: cotton, surgical, and respirators (e.g. FFP2, N95 and similar). All are essentially air filters worn on the face. Air filtration is relatively well understood, however, we have almost no direct evidence on the relative role played by aerosol particles of differing sizes in disease transmission. But if the virus concentration is assumed independent of aerosol particle size, then most virus will be in particles > 1 $μ$m. We develop a model that predicts surgical masks are effective at reducing the risk of airborne transmission because the filtering material most surgical masks use is highly effective at filtering particles with diameters > 1 $μ$m. However, surgical masks are significantly less effective than masks of FFP2, N95 and similar standards, mostly due to the poor fit of surgical masks. Earlier work found that ~30% of the air bypasses a surgical mask and is not filtered. This highlights the fact that standards for surgical masks do not specify how well the mask should fit, and so are not adequate for protection against COVID-19.

cond-mat.soft↗

arXiv2021

Crystallisation and Polymorph Selection in Active Brownian Particles

We explore crystallisation and polymorph selection in active Brownian particles with numerical simulation. In agreement with previous work [Wysocki $\textit{et al.}$ $\textit{Europhys. Lett.}$, $\textbf{105}$ 48004 (2014)], we find that crystallisation is suppressed by activity and occurs at higher densities with increasing $Péclet$ number ($Pe$). While the nucleation rate decreases with increasing activity, the crystal growth rate increases due to the accelerated dynamics in the melt. As a result of this competition we observe the transition from a nucleation and growth regime at high $Pe$ to "spinodal nucleation" at low $Pe$. Unlike the case of passive hard spheres, where preference for FCC over HCP polymorphs is weak, activity causes the annealing of HCP stacking faults, thus strongly favouring the FCC symmetry at high $Pe$. When freezing occurs more slowly, in the nucleation and growth regime, this tendency is much reduced and we see a trend towards the passive case of little preference for either polymorph.

cond-mat.soft↗

arXiv2021

Efficacy of face coverings in reducing transmission of COVID-19: calculations based on models of droplet capture

In the COVID--19 pandemic, among the more controversial issues is the use of masks and face coverings. Much of the concern boils down to the question -- just how effective are face coverings? One means to address this question is to review our understanding of the physical mechanisms by which masks and coverings operate -- steric interception, inertial impaction, diffusion and electrostatic capture. We enquire as to what extent these can be used to predict the efficacy of coverings. We combine the predictions of the models of these mechanisms which exist in the filtration literature and compare the predictions with recent experiments and lattice Boltzmann simulations, and find reasonable agreement with the former and good agreement with the latter. Building on these results, we explore the parameter space for woven cotton fabrics to show that three-layered cloth masks can be constructed with comparable filtration performance to surgical masks under ideal conditions. Reusable cloth masks thus present an environmentally friendly alternative to surgical masks so long as the face seal is adequate enough to minimise leakage.

cond-mat.soft↗