Related papers: Glassy dynamics of a binary Voronoi fluid: A mode-…
Methanol-water liquid mixtures have been investigated by high-energy synchrotron X-ray and neutron diffraction at low temperatures. We are thus able to report the first complete sets of both X-ray and neutron weighted total scattering…
The physical behavior of glass-forming liquids presents complex features of both dynamic and thermodynamic nature. Some studies indicate the presence of thermodynamic anomalies and of crossovers in the dynamic properties, but their origin…
We present simulation results addressing the dynamics of a colloidal system with attractive interactions close to gelation. Our interaction also has a soft, long range repulsive barrier which suppresses liquid-gas type phase separation at…
In this paper we study the well-posedness and long-time dynamics of a diffuse-interface model for the mixture of two viscous incompressible Newtonian fluids with thermo-induced Marangoni effects. The governing system consists of modified…
A recently introduced particle-based model for fluid dynamics with effective excluded volume interactions is analyzed in detail. The interactions are modeled by means of stochastic multiparticle collisions which are biased and depend on…
Detachment and fracture are central to many tissue-level processes, but they are challenging to simulate with Voronoi-type models that typically assume a confluent tissue. Here we analyze the finite Voronoi model, a nonconfluent extension…
Mode-coupling theory (MCT) constitutes one of the few first-principles-based approaches to describe the physics of the glass transition, but the theory's inherent approximations compromise its accuracy in the activated glassy regime. Here…
We perform molecular-dynamics simulations of a molecular system in supercooled states for different values of inertia parameters to provide evidence that the long-time dynamics depends only on the equilibrium structure. This observation is…
We use replica exchange Monte-Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte-Carlo simulations do not easily…
Cells not only can be motile by crawling but are also capable of non-motility active motions like periodic contraction or pulsation. In this work, based on a Voronoi cell model, we show how this non-motility activity affects the structure,…
Vertex models are a popular approach to modeling the mechanical and dynamical properties of dense biological tissues, describing the tissue as a network of connected polygons representing the cells. Recently a class of two-dimensional…
We explored the composition dependence of a rather comprehensive set of properties of liquid water-ethanol mixtures by using the isobaric-isothermal molecular dynamics computer simulations. The united atom non-polarizable model from the…
We study theoretically the non-linear response properties of glass formers. We establish several general results which, together with the assumption of Time-Temperature Superposition, lead to a relation between the non-linear response and…
We propose a model to study symmetric binary fluids, based in the mesoscopic molecular simulation technique known as multiparticle collision, where space and state variables are continuous while time is discrete. We include a repulsion rule…
We use simulation-based supervised machine learning and classical density functional theory to investigate bulk and interfacial phenomena associated with phase coexistence in binary mixtures. For a prototypical symmetrical Lennard-Jones…
In conventional fluid mechanics, the chemical composition and thermodynamic state of a fluid-solid interface are not considered when establishing velocity-field boundary conditions. As a consequence, fluid simulations are usually not able…
We present simulation results for a model polymer melt, consisting of short, nonentangled chains, in the supercooled state. The analysis focuses on the monomer dynamics, which is monitored by the incoherent intermediate scattering function.…
After a brief introduction to the dynamics of supercooled liquids, we discuss some of the advantages and drawbacks of computer simulations of such systems. Subsequently we present the results of computer simulations in which the dynamics of…
Microscopic thermodynamic studies can elucidate specific molecular interactions. In this work, we report the microscopic thermodynamics in binary liquid mixtures, which elucidate the role of molecular structure in nonlinear solvent response…
The dynamics of confined glassforming liquids is discussed on the basis of the recent extension of the mode coupling theory for the liquid-glass transition to the model of the quenched-annealed binary mixture. It is in particular shown…