Related papers: Computer simulation control of single crystal grow…
To study the solution growth of crystals composed of chiral organic molecules, a spin-one Ising lattice gas model is proposed. The model turns out to be equivalent to the Blume-Emery-Griffiths model, which shows an equilibrium chiral…
We present a unified model of compound semiconductor growth based on kinetic Monte Carlo simulations in tandem with new experimental results that can describe and predict the mechanisms for the formation of various types of nanostructures…
An efficient method for the simulation of strained heteroepitaxial growth with intermixing using kinetic Monte Carlo is presented. The model used is based on a solid-on-solid bond counting formulation in which elastic effects are…
Microtubules are a major component of the cytoskeleton distinguished by highly dynamic behavior both in vitro and in vivo. We propose a general mathematical model that accounts for the growth, catastrophe, rescue and nucleation processes in…
High-quality single crystals are essentially needed for the investigation of the novel bulk properties of unconventional superconductors. The availability of such crystals grown by the floating-zone method has helped to unveil the…
We have successfully grown cm3-size single crystals of the metallic-ferromagnet Sm2Mo2O7 by the floating-zone method using an infrared-red image furnace. The growth difficulties and the remedies found using a 2-mirror image furnace are…
Nanowire (NW) crystal growth via the vapour_liquid_solid mechanism is a complex dynamic process involving interactions between many atoms of various thermodynamic states. With increasing speed over the last few decades many works have…
The high-pressure optical floating-zone method enables single crystal growth of the Pmnb high-temperature phase of Li2FeSiO4. The influence of growth conditions on crystal quality, phase homogeneity, and impurity formation in Li2FeSiO4 is…
We present a new method for simulating crystal growth by energetic beam deposition. The method combines a Kinetic Monte-Carlo simulation for the thermal surface diffusion with a small scale molecular dynamics simulation of every single…
We discuss the growth process of a crystalline phase out of a metastable over-compressed liquid that is brought into contact with a crystalline substrate. The process is modeled by means of molecular dynamics. The particles interact via the…
We present modeling approaches to explain mechanisms of control of uniformity (narrow distribution) of sizes and shapes in synthesis of nanosize crystals and micron-size colloids. We consider those situations when the nanocrystals are…
In this work, we used a coupled level set and volume of fluid (CLSVOF) computational method for studying the generation of microdroplets in a two dimensional circular co-flow microfluidic device. The fundamental understanding of shear…
Mandelic acid is an enantiomer of interest in many areas, in particular for the pharmaceutical industry. One of the approaches to produce enantiopure mandelic acid is through crystallization from an aqueous solution. We propose in this…
The structural control of silicon nanocrystals is an important technological problem. Typically a distribution of nanocrystal sizes and shapes emerges under the uncontrolled aggregation of smaller clusters. The aim of this computational…
Polymers with both soluble and insoluble blocks typically self-assemble into micelles, aggregates of a finite number of polymers where the soluble blocks shield the insoluble ones from contact with the solvent. Upon increasing…
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…
Continuum models of plasticity fail to capture the richness of microstructural evolution because the continuum is a homogeneous construction. The present study shows that an alternative way is available at the mesoscale in the form of truly…
The mathematical modeling of tumor growth has a long history, and has been mathematically formulated in several different ways. Here we tackle the problem in the case of a continuous distribution using mathematical tools from statistical…
The freezing of concentrated colloidal suspensions is a complex physical process involving a large number of parameters. These parameters provide unique tools to manipulate the architecture of freeze-cast materials at multiple length scales…
The growth of homogeneously nucleated droplets in water vapor at the fixed temperatures T=273, 283, 293, 303, 313, 323, 333, 343, 353, 363 and 373 K (the pressure $p=1$ atm.) is investigated on the basis of the coarse-grained molecular…