Related papers: Structural precursor to freezing: An integral equa…
I use recent advances in the study of the susceptibility of the Ising model to propose a new mechanism for the freezing transition which is observed in three dimensional hard spheres.
In amorphous solids subject to shear or thermal excitation, so-called structural indicators have been developed that predict locations of future plasticity or particle rearrangements. An open question is whether similar tools can be used in…
We study closed dense collections of hard spheres that collide inelastically with constant coefficient of normal restitution. We find inhomogeneous states (IS) where the density profile is spatially non-uniform but constant in time. The…
We simulate a hard-sphere liquid in confined geometry where the separation of the two parallel, hard walls is smaller than two particle diameters. By systematically reducing the wall separation we analyze the behavior of structural and…
As approaching the glass transition, particle motion in liquids becomes highly heterogeneous and regions with virtually no mobility coexist with liquid-like domains. This complex dynamics is believed to be responsible for different…
The dielectric function of the wide-gap optical material HfO2 is investigated by the local density approximation (LDA) +U approach. We focus on the origin of the shoulder-like structure near the edge of the band gap in the imaginary part of…
We investigate the thermodynamic, structural, and dynamic behavior of a three-dimensional coarse-grained ramp-shoulder fluid derived from effective interactions between polymer-grafted nanoparticles. The interaction combines a softened…
Many barred galaxies exhibit upturns (shoulders) in their bar major-axis density profile. Simulation studies have suggested that shoulders are supported by looped $x_1$ orbits, occur in growing bars, and can appear after bar-buckling. We…
We present molecular simulation data for viscosity, self-diffusivity, and the local structural ordering of (i) a hard-sphere fluid and (ii) a square-well fluid with short-range attractions. The latter fluid exhibits a region of dynamic…
We have performed confocal microscopy experiments and computer simulations of colloidal suspensions with moderate volume fraction confined between two quasi-parallel, rough walls [A. Villada-Balbuena et al., Soft Matter, 2022, 18,…
We investigate the problem of structures formation in accretion disc zone, resulting from the tidally interaction in close binary star system. We aim to examine the area where the incoming flow meets the matter around secondary star and the…
We compute numerical simulations of spherical collapse triggered by a slow increase in external pressure. We compare isothermal models to models including cooling with a simple but self-consistent treatment of the coupling between gas,…
We report extensive numerical simulations of different models of 2D polymer rings with internal elasticity. We monitor the dynamical behavior of the rings as a function of the packing fraction, to address the effects of particle deformation…
The properties of supersonic isothermal turbulence influence a variety of astrophysical phenomena, including the structure and evolution of star forming clouds. This work presents a simple model for the structure of dense regions in…
We investigate the asymmetric freezing of a liquid droplet sliding on an inclined cold surface using numerical simulations based on the lubrication approximation. The combined effects of gravity, capillarity, and solidification kinetics on…
We investigate dynamical heterogeneities in the collective relaxation of a concentrated microgel system, for which the packing fraction can be conveniently varied by changing the temperature. The packing fraction dependent mechanical…
The way particles interact with turbulent structures, particularly in regions of high vorticity and strain rate, has been investigated in simulations of homogeneous turbulence and in simple flows which have a periodic or persistent…
Freezing or solidification of impacting droplets is omnipresent in nature and technology, be it a rain droplet falling on a supercooled surface, be it in inkjet printing where often molten wax is used, be it in added manufacturing or in…
The structural properties of square-shoulder fluids are derived from the use of the rational function approximation method. The computation of both the radial distribution function and the static structure factor involves mostly analytical…
We present the dynamic propensity distribution as an explicit measure of the degree to which the dynamics in a liquid over the time scale of structural relaxation is determined by the initial configuration. We then examine, for a binary…