相关论文: Janus fluid with fixed patch orientations: theory …
Using Density Functional Theory we theoretically study the orientational properties of uniform phases of hard kites -- two isosceles triangles joined by their common base. Two approximations are used: Scaled Particle Theory, and a new…
We propose diagrams representing the equilibrium morphologies of two immiscible liquid droplets brought into contact. We study the dependence of the shape of the droplets on the surface tensions and ratio of volumes. We study theoretically…
We investigate by Molecular Dynamics simulation a system of $N$ particles moving on the surface of a two-dimensional sphere and interacting by a Lennard-Jones potential. We detail the way to account for the changes brought by a nonzero…
We report on a computer simulation and integral equation study of a simple model of patchy spheres, each of whose surfaces is decorated with two opposite attractive caps, as a function of the fraction $\chi$ of covered attractive surface.…
A fluid constituted of hard spherocylinders is studied using a density functional theory for non-spherical hard particles, which can be written as a function of weighted densities. This is based on an extended deconvolution of the Mayer…
We numerically investigate the propelled motions of a Janus particle in a periodically phase-separating binary fluid mixture. In this study, the surface of the particle tail prefers one of the binary fluid components and the particle head…
We study the physics of $\nu=1/2$ bosonic fractional quantum Hall droplets confined in a ring-shaped region delimited by two concentric cylindrically symmetric hard-wall potentials. Trial wave functions based on an extension of the Jack…
Equilibrium molecular dynamics simulation and the Green-Kubo formalism were used to calculate self-diffusion coefficient, shear viscosity,and thermal conductivity for 30 different quadrupolar two-center Lennard-Jones fluids along the bubble…
A model for the radial distribution function $g(r)$ of a square-well fluid of variable width previously proposed [S. B. Yuste and A. Santos, J. Chem. Phys. {\bf 101}, 2355 (1994)] is revisited and simplified. The model provides an explicit…
A geometry-based density functional theory is presented for mixtures of hard spheres, hard needles and hard platelets; both the needles and the platelets are taken to be of vanishing thickness. Geometrical weight functions that are…
Janus particles self-propel by generating local tangential concentration gradients along their surface. These gradients are present in a thin layer whose thickness is small compared to the particle size. Chemical asymmetry along the surface…
This study examines the transverse and longitudinal properties of hard disks confined in narrow channels. Employing an exact mapping of the system onto a one-dimensional polydisperse, nonadditive mixture of hard rods with equal chemical…
Using mesoscopic numerical simulations and analytical theory we investigate the coarsening of the solvent structure around a colloidal particle emerging after a temperature quench of the colloid surface. Qualitative differences in the…
We use molecular dynamics simulations to study the behavior of a compressible Lennard-Jones fluid in simple shear flow in a two-dimensional nanochannel. The system is equilibrated in the fluid phase close to the triple point at which gas,…
We investigate the spontaneous motion of an elliptical Janus particle, driven by Marangoni forces, on a water surface to understand how particle shape and size influence its dynamics. The Janus particle is one-half infused with a substance…
This Perspective article provides an overview of some of our analytical approaches to the computation of the structural and thermodynamic properties of single-component and multicomponent hard-sphere fluids. For the structural properties,…
We show that for any liquid or solid with strong correlation between its $NVT$ virial and potential-energy equilibrium fluctuations, the temperature is a product of a function of excess entropy per particle and a function of density,…
We examine the structural and dynamic properties of confined binary hard-sphere mixtures designed to mimic realizable colloidal thin films. Using computer simulations, governed by either Newtonian or overdamped Langevin dynamics, together…
We study the thermodynamic and structural properties of a simple, one-patch fluid model using the reference hypernetted-chain (RHNC) integral equation and specialized Monte Carlo simulations. In this model, the interacting particles are…
The direct correlation function of a fluid mixture of parallel hard cubes is obtained by using Rosenfeld's fundamental measure approximation. This approximation is thermodynamically consistent (compressibility and virial equations of state…