相关论文: Self-Assembly and Waterlike Anomalies in Janus Nan…
Using collision driven molecular dynamics a system of spherical particles interacting through an effective two length scales potential is studied. The potential can be tuned by means of a single parameter, $\lambda$, from a ramp…
Recent simulations have studied the formation of patterns in a binary mixture of immiscible surfactants absorbed onto the surface of a spherical nanoparticle. The resulting patterns (Janus, spots and stripes) were in good agreement with…
Recent experimental work on spherical colloidal particles decorated with two hydrophobic poles separated by an electrically-charged middle band (triblock Janus particles) has documented self-assembly into a Kagome two-dimensional lattice,…
We investigate the self-assembly of amphiphilic nanocubes under rest and shear using molecular dynamics (MD) simulations and kinetic Monte Carlo (KMC) calculations. These particles combine both interaction and shape anisotropy, making them…
Using the molecular dynamics simulations we investigate properties of velocity autocorrelation function of Lennard-Jones fluid at long and intermediate time scales in wide ranges of temperature and density. We show that the amplitudes of…
In this work, we numerically investigate the dynamics of a self-propelling autophoretic Janus particle in a weakly viscoelastic fluid. The self-propulsion is achieved by an asymmetry in the properties of the surface of the Janus particle…
The fluid phase diagram of trimer particles composed of one central attractive bead and two repulsive beads was determined as a function of simple geometric parameters using flat-histogram Monte Carlo methods. A variety of self-assembled…
Molecular dynamics simulations are used to study the behavior of closely-fitting spherical and ellipsoidal particles moving through a fluid-filled cylinder at nanometer scales. The particle, the cylinder wall and the fluid solvent are all…
Using molecular dynamics simulations and integral equations we investigate the structure, the thermodynamics and the dynamics of a system of particles interacting through a continuous core- softened ramp-like interparticle potential. We…
The primary attribute of interest of surface nanobubbles is their unusual stability and a number of theories trying to explain this have been put forward. Interestingly, the dissolution of nanobubbles is a topic that did not receive a lot…
We study a three-dimensional system of self-propelled Lennard-Jones particles using Brownian Dynamics simulations. Using recent theoretical results for active matter, we calculate the pressure and report equations of state for the system.…
The motion of a tagged degree of freedom can give important insight in the interactions present in a complex environment. We investigate the dynamics of a tagged particle in two non-equilibrium systems that consist of interacting…
We study the change in the temperature of maximum density (TMD) of a water-like solvent when small amounts of solute are added to the mixture. The water is modeled as a two length scales potential, which is known to exhibit water-like…
Water keeps puzzling scientists because of its numerous properties which behave oppositely to usual liquids: for instance, water expands upon cooling, and liquid water is denser than ice. To explain this anomalous behaviour, several…
By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $\gamma$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced…
We use molecular dynamics simulations in 2d to study multi-component fluid in the limiting case where {\it all the particles are different} (APD). The particles are assumed to interact via Lennard-Jones (LJ) potentials, with identical size…
Two-dimensional ionic liquids with single site anion and cation-neutral dimer are studied by computer simulations and integral equation techniques, with the aim of characterizing differences with single site anion-cation mixtures, and also…
When thin films are grown on a substrate by chemical vapor deposition, the evolution of the first deposited layers may be described, on mesoscopic scales, by dynamical models of the reaction-diffusion type. For monoatomic layers, such…
A series of non-symmetric dimers were synthesised containing either cyanobiphenyl or difluoroterphenyl moieties on one side and a range of long, short, bent, polar or apolar mesogens on the other side of the molecules. The dielectric…
2D Janus TMDC layers with broken mirror symmetry exhibit giant Rashba splitting and unique excitonic behavior. For their 1D counterparts, the Janus nanotubes possess curvature, which introduce an additional degree of freedom to break the…