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We describe a temporal multiscale approach for the simulation of long-term processes with short-term influences involving partial differential equations. The specific problem under consideration is a growth process in blood vessels. The…
We investigate the evolution of tumor growth relying on a nonlinear model of partial differential equations which incorporates mechanical laws for tissue compression combined with rules for nutrients availability and drug application.…
Here we review a hybrid lattice Boltzmann algorithm to solve the equations of motion of cholesteric liquid crystals. The method consists in coupling a lattice Boltzmann solver for the Navier-Stokes equation to a finite difference method to…
Growth of hard--rod monolayers via deposition is studied in a lattice model using rods with discrete orientations and in a continuum model with hard spherocylinders. The lattice model is treated with kinetic Monte Carlo simulations and…
The heat transfer (conductive, convective, radiative) and the related problems (the unknown phase boundary fluid/crystal, the assessment of the quality of the grown crystals) encountered in the melt and vapour growth of single crystal as…
Scandium is a key element of the Am star phenomenon since its surface under-abundance is one of the criteria that characterise such stars. Thanks to the availability of a sufficiently complete set of theoretical atomic data for this…
We report measurements of the initial growth and subsequent transient response of dendritic crystals of ammonium chloride grown from supersaturated aqueous solution. Starting from a small, nearly spherical seed held in unstable equilibrium,…
We investigate crystal nucleation in supersaturated colloid suspensions using enhanced molecular dynamics simulations augmented with machine learning techniques. The simulations reveal that crystallization in the model colloidal system…
The stability and conservation properties of a recently proposed polymerization model are studied. The achiral (racemic) solution is linearly unstable once the relevant control parameter (here the fidelity of the catalyst) exceeds a…
Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one…
One technique for creating semiconductor crystals with new, desired properties involves replacing some atoms in the crystal lattice with additives - atoms of a different type. This substitution not only alters the bulk properties of the…
Single crystal growth is a widely explored method of synthesizing materials in the solid state. The last few decades have seen significant improvements in the techniques used to synthesize single crystals, but there has been comparatively…
Ice nucleation plays a significant role in a large number of natural and technological processes, but it is challenging to investigate experimentally because of the small time (ns) and short length scales (nm) involved. On the other hand,…
Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…
We describe the growth of vesicles, due to the accretion of lipid molecules to their surface, in terms of linear irreversible thermodynamics. Our treatment differs from those previously put forward by consistently including the energy of…
We focus our attention on Monte Carlo simulations of crystallization, which is one of the most important processes occurring in nature and technology of materials. Special attention is paid to the crystallization shrinkage and its…
The generation of microdroplets via segmentation in microfluidic devices is of interest in many applications, from biochemical to pharmaceutical. This technique permits indeed much higher control on the droplet size, uniformity and…
Acid-base reactions are ubiquitous in nature. Understanding their mechanisms is crucial in many fields, from biochemistry to industrial catalysis. Unfortunately, experiments only give limited information without much insight into the…
Experimental and modeling/simulation studies of phase equilibrium and growth morphologies of novel polymer-dispersed liquid crystal (PDLC) mixtures of PS (polystyrene) and liquid crystals that exhibit a direct isotropic/smectic-A (lamellar)…
Temperature changes during the growth of lamellar polymer crystals give rise to steps on the surface of the crystals. It has recently been suggested that these steps could provide important insights into the mechanism of polymer…