We propose an efficient algorithm to sample the volume in Monte Carlo simulations in the isobaric-isothermal ensemble. The method is designed to be applied in the simulation of hard-core models at high density. The algorithm is based in the generation of clusters of particles. At the volume change step, the distances between pairs of particles belonging to the same cluster do not change. This i...

The influence of calcination time on the phase transformation and crystallization kinetics of anodized titania nanotube arrays was studied using in-situ isothermal and non-isothermal synchrotron radiation diffraction from room temperature to 900 °C. Anatase first crystallized at 400 °C, while rutile crystallized at 550 °C. Isothermal heating of the anodized titania nanotubes by an increase in t...

We consider a class of spherical processes rapidly converging to the boundary (so called Decentred Random Walks on Spheres or spherical processes with shifted centres) in comparison with the standard walk on spheres. The aim is to compare costs of the corresponding Monte Carlo estimates for the Poisson equation. Generally, these costs depend on the cost of simulation of one trajectory and on th...

A systematic study of the direct computation of the isothermal compressibility of normal quantum fluids is presented by analyzing the solving of the Ornstein-Zernike integral (OZ2) equation for the pair correlations between the path-integral necklace centroids. A number of issues related to the accuracy that can be achieved via this sort of procedure have been addressed, paying particular atten...

Lattice Boltzmann equations (LBE) are a useful tool for simulating the incompressible Navier-Stokes equations. However, LBE actually simulate a compressible but usually isothermal fluid at some small but finite Mach number. There has been recent interest in using LBE at larger, but still subsonic, Mach numbers, for which the viscous terms in the resulting momentum equation depart appreciably fr...