相关论文: Computer simulation control of single crystal grow…
Molecular dynamics computer simulations are used to investigate a silica melt confined between walls at equilibrium and in a steady-state Poisseuille flow. The walls consist of point particles forming a rigid face-centered cubic lattice and…
Crystallization processes at the mesoscopic scale, where faceted, dendritic growth, and multigrain formation can be observed, are of particular interest within materials science and metallurgy. These processes are highly nonlinear,…
Facetted growth of snow crystals leads to a rich diversity of forms, and exhibits a remarkable sixfold symmetry. Snow crystal structures result from diffusion limited crystal growth in the presence of anisotropic surface energy and…
The work introduces a 3D cellular automaton model for the spatial and crystallographic prediction of spherulite growth phenomena in polymers at the mesoscopic scale. The automaton is discrete in time, real space, and orientation space. The…
We study the conditions under which and how an imposed cluster of fixed colloidal particles at prescribed positions triggers crystal nucleation from a metastable colloidal fluid. Dynamical density functional theory of freezing and Brownian…
A kinetic Ising model is analyzed where spin variables correspond to lattice cells with mobile or immobile particles. Introducing additional restrictions for the flip processes according to the n-spin facilitated kinetic Ising model and…
The growth of crystals confined in porous or cellular materials is ubiquitous in Nature and industry. Confinement affects the formation of biominerals in living organisms, of minerals in the Earth's crust and of salt crystals damaging…
Highly crystallized undoped hydrogenated microcrystalline silicon films prepared using SiF4-H2 mixture plasma were investigated at various stages of growth employing different microstructural probes. Our self-consistent results elucidate…
We present a simple unifying model for crystallization and melting temperatures by showing that homogeneous nucleation and phase transformations driven by thickening of pre-existing surface layers are limiting conditions of the more general…
We generalize the model of transition-metal nanocluster growth in aqueous solution, proposed recently [Phys. Rev. E \textbf{87}, 022132 (2013)]. In order to model time evolution of the system, kinetic equations describing time dependence of…
We survey our research on modeling the mechanisms of control of uniformity in growth of nanosize and colloid particles. The former are produced as nanocrystals, by burst-nucleation from solution. The latter, colloid-size particles, are…
We investigate the growth of a crystal that is built by depositing cubes onto the inside of a corner. The interface of this crystal evolves into a limiting shape in the long-time limit. Building on known results for the corresponding…
We simulate crystallisation of hard spheres with short-ranged attractive potentials, as a model self-assembling system. We show how measurements of correlation and response functions during assembly can be used to tune the interaction…
We use molecular dynamic to simulate the directional growth of binary mixtures. our results compare very well with analitical and experimental results. This opens up the possibility to probe growth situations which are difficult to reach…
We discuss the important aspects of synthesis and crystal growth of MgB2 under high pressure (P) and temperature (T) in Mg-B-N system, including the optimisation of P-T conditions for reproducible crystal growth, the role of liquid phases…
Controlled crystallization, melting and vitrification are important fundamental processes in nature and technology. However, the microscopic details of these fundamental phenomena still lack understanding, in particular how the cooling rate…
Isomerization, i.e. the rearrangement between distinct molecular configurations, is a fundamental process in chemistry. Here we demonstrate that two-dimensional Coulomb crystals can emulate molecular isomerization and be used to…
The freezing of colloidal suspensions is encountered in many natural and engineering processes such as the freezing of soils, food engineering, and cryobiology. It can also be used as a bio-inspired, versatile, and environmentally-friendly…
Using formal asymptotic methods we derive a free boundary problem representing one of the simplest mathematical descriptions of the growth and death of a tumour or other biological tissue. The mathematical model takes the form of a closed…
The demand for the three-dimensional (3D) integration of electronic components is on a steady rise. The through-silicon-via (TSV) technique emerges as the only viable method for integrating single-crystalline device components in a 3D…