Related papers: Shell-resolved melting kinetics of an icosahedral …
In this paper, we discuss the equilibrium phases and collapse transitions of a lyotropic nematic gel immersed in an isotropic solvent. A nematic gel consists of a cross-linked polymer network with rod-like molecules embedded in it. Upon…
The fundamental description of both structural properties and reactions of light nuclei in terms of constituent protons and neutrons interacting through nucleon-nucleon and three-nucleon forces is a long-sought goal of nuclear theory. I…
The melting of metallic nanoparticles is governed by surface pre-melting, a phenomenon traditionally modeled as the isotropic growth of a uniform liquid shell. Challenging this classical view, we report facet-dependent surface pre-melting…
A hierarchical (triple scale) simulation methodology is presented for the prediction of the dynamical and rheological properties of high molecular weight entangled polymer melts. The methodology consists of atomistic, moderately…
We study numerically the melting of a horizontal layer of a pure solid above a convecting layer of its fluid rotating about the vertical axis. In the rotating regime studied here, with Rayleigh numbers of order $10^7$, convection takes the…
We study, by means of computer simulations, the crystal-melt interface of three different systems: hard-spheres, Lennard Jones and the TIP4P/2005 water model. In particular, we focus on the dynamics of surface waves. We observe that the…
Liquid water is not only of obvious importance but also extremely intriguing, displaying many anomalies that still challenge our understanding of such an a priori simple system. The same is true when looking at nanoconfined water: The…
The molecular structure of the wetting layer of ice on Pt(111) is resolved using scanning tunneling microscopy (STM). Two structures observed previously by diffraction techniques are imaged for coverages at or close to completion of the…
Despite their technological relevance, a full microscopic understanding of glasses is still lacking. This applies even more to their surfaces whose properties largely differ from that of the bulk material. Here, we experimentally…
Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…
Clusters in the three-dimensional Ising model rigorously obey reducibility and thermal scaling up to the critical temperature. The barriers extracted from Arrhenius plots depend on the cluster size as $B \propto A^{\sigma}$ where $\sigma$…
The paper proposes a hybrid method for calculating scattering processes that combines the $J$-matrix method with exterior complex scaling as an absorbing boundary condition. It represents the wave function as a finite sum of oscillator…
The relaxation following a temperature quench of two-phase (lamellar and sponge phase) and three-phase (lamellar, sponge and micellar phase) samples, has been studied in an SDS/octanol/brine system. In the three-phase case we have observed…
When the Rayleigh number is low, Rayleigh-B\'enard convection in a nonrotating spherical shell with central gravity has symmetric solutions in terms of three-dimensional discrete rotation. All the known patterns with the regular polyhedral…
Melting of two dimensional (2D) clusters of classical particles is studied using Brownian dynamics and Langevin molecular dynamics simulations. The particles are confined by a circular hard wall or a parabolic external potential and…
Melts of 3-dimensional dendritic beads-springs, namely coarse-grained soft-clusters, are studied by molecular dynamics simulations. The goal is to elucidate the unique dynamics of giant molecules, or generally speaking, 3-dimensional…
We study a chemical gelation model in two dimensions which includes both monomer aggregations and bond fluctuations. Our numerical simulation shows that a sol-gel transition occurs when an initial monomer concentration is above a critical…
The atomic movement induced on melting has to overcome a viscous drag resistance. It is suggested that the latent heat of fusion supplies the required energy for this physical process. The viscosity model introduced here allows computation…
A molecular dynamics study of a two dimensional system of particles interacting through a Lennard-Jones pairwise potential is performed at fixed temperature and vanishing external pressure. As the temperature is increased, a solid-to-liquid…
Fragmentation process in a cylindrical magnetized cloud is studied with the nested grid method. The nested grid scheme use 15 levels of grids with different spatial resolution overlaid subsequently, which enables us to trace the evolution…