Related papers: Confinement effects on the properties of Janus dim…
Studying physical mechanisms and common geometric principles underlying known spherical packings is crucial for rational design of synthetic nanocontainers. Here we model the growth of small spherical shells containing n<72 identical…
We develop a statistical theory for the dynamics of non-aligning, non-interacting self-propelled particles confined in a convex box in two dimensions. We find that when the size of the box is small compared to the persistence length of a…
We extensively study the phase diagram of a diblock copolymer melt confined in a cylindrical nanopore using real-space self-consistent mean-field theory. We discover a rich variety of new two-dimensional equilibrium structures that have no…
The effect of interfaces and confinement in polymer ferroelectric structured is discussed. Results on confinement under different geometries are presented and the comparison of all of them allows to evidence that the presence of an…
We simulate a strongly size-disperse hard-sphere fluid confined between two parallel, hard walls. We find that confinement induces crystallization into n-layered hexagonal lattices and a novel honeycomb-shaped structure, facilitated by…
The remaining dynamical degrees of freedom of molecular fluids confined into capillaries of nano to sub-nanometer diameter are of fundamental relevance for future developments in the field of nanofluidics. These properties cannot be simply…
Understanding heat transfer characteristics of phase change and enhancing thermal energy transport in nanoscale are of great interest in both theoretical and practical applications. In the present study, we investigated the nanoscale…
We use numerical simulations to compute the equation of state of a suspension of spherical, self-propelled nanoparticles. We study in detail the effect of excluded volume interactions and confinement as a function of the system temperature,…
Large-scale molecular dynamics simulations are used to simulate a layer of nanoparticles diffusing on the surface of a liquid. Both a low viscosity liquid, represented by Lennard-Jones monomers, and a high viscosity liquid, represented by…
In this work we present the general phase behavior of short tubelike flexible polymers. The geometric thickness constraint is implemented through the concept of the global radius of curvature. We use sophisticated Monte Carlo sampling…
We analyze static properties of a strongly confined semiflexible polymer, i.e. either trapped in a closed space or compressed by external forces, in an athermal solvent. Like a flexible polymer case, we can resort to an analogy with the…
Bimetallic nanoparticles (BNPs) exhibit diverse morphologies such as core-shell, Janus, onion-like, quasi-Janus, and homogeneous structures. Although extensive effort has been directed towards understanding the equilibrium configurations of…
The force and torque on a Janus sphere moving in a rarefied gas with a thermal gradient are calculated. The regime of large Knudsen number is considered, with the momenta of impinging gas molecules either obtained from a Chapman-Enskog…
Self-assembling novel ordered structures with nanoparticles has recently received much attention. Here we use computer simulations to study a two-dimensional model system characterized by a simple isotropic interaction that could be…
Interfacial interactions significantly alter the fundamental properties of water confined in mesoporous structures, with crucial implications for geological, physicochemical, and biological processes. Herein, we focused on the effect of…
Self-phoretic Janus particles move by inducing -- via non-equilibrium chemical reactions occurring on their surfaces -- changes in the chemical composition of the solution in which they are immersed. This process leads to gradients in…
Geometric confinement plays an important role in the dynamics of natural and synthetic microswimmers from bacterial cells to self-propelled particles in high-throughput microfluidic devices. However, little is known about the effects of…
The ability to design artificial micro/nanomachines able to perform sophisticated tasks crucially depends on the understanding of their interaction with biosystems and their compatibility with the biological environment. Here, Janus…
Confinement is a ubiquitous mechanism in nature, whereby particles feel an attractive force that increases without bound as they separate. A prominent example is color confinement in particle physics, in which baryons and mesons are…
Surface bound catalytic chemical reactions self-propel chemically active Janus particles. In the vicinity of boundaries, these particles exhibit rich behavior, such as the occurrence of wall-bound steady states of "sliding". Most active…