Related papers: Computer Modeling of Radiationally and Thermally S…
The results of modeling of radiation defects formation and evolution on the surface and in the volume of a crystal are presented in this article. Statistical properties are calculated for the investigated system. It is revealed that defects…
We derive a set of algorithms for simulating the diffusion-limited growth of faceted crystals using local cellular automata. This technique has been shown to work well in reproducing realistic crystal morphologies, and the present work…
The analysis of defects and defect dynamics in crystalline materials is important for fundamental science and for a wide range of applied engineering. With increasing system size the analysis of molecular-dynamics simulation data becomes…
When a high-energy electrons move in a crystal along one of the crystallographic planes the phenomenon of planar channeling is possible, in which the particles move in channels formed by the continuous potential of crystalline planes. Such…
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…
Crystallization, a prototypical self-organization process during which a disordered state spontaneously transforms into a crystal characterized by a regular arrangement of its building blocks, usually proceeds by nucleation and growth. In…
Recent advances in classical density functional theory are combined with stochastic process theory and rare event techniques to formulate a theoretical description of nucleation, including crystallization, that can predict nonclassical…
The cellular automaton model is used to simulate diffusion and aggregation with dissociation of point particles in 2D. A continuous phase transition is found that separates creation of compact aggregates and fractal ones. The transition is…
More and more observations indicate that young star clusters could retain imprints of their formation process. In particular, the degree of substructuring and rotation are possibly the direct result of the collapse of the parent molecular…
An original idea of semiconductor defects identification in CCD matrix was presented in the article. The procedure is simple and easy to execute because of no need for special and expensive equipment. The method classifies defects into two…
The formation and subsequent growth of structural defects in an irradiated material can strongly influence the material's performance in technological and industrial applications. Predicting how the growth of defects affects material…
In this paper we examine a number of models that generate random fractals. The models are studied using the tools of computational complexity theory from the perspective of parallel computation. Diffusion limited aggregation and several…
A majority of radiation effects studies are connected with creation of radiation-induced defects in the crystal bulk, which causes the observed degradation of material properties. The main objective of this chapter is to describe the…
A range of percolation models of cluster systems of composites is discussed. In the models the parameters of the clusters of a substance and inner boundaries were obtained by the Monte Carlo method, and the possibility of affecting the…
Many biological processes and objects can be described by fractals. The paper uses a new type of objects - blinking fractals - that are not covered by traditional theories considering dynamics of self-similarity processes. It is shown that…
Detection of crystal structures from particle positions of crystalline assemblies formed in computer simulations is an unsolved problem. The standard protocol, formulated in the reciprocal space, for structure determination from…
Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…
Crystal defects crucially influence the properties of crystalline materials and have been extensively studied. Even for the simplest type of defect - the point defect - however, basic properties such as their diffusive behavior, and their…
Analysis of experimental kinetic dependences and results of the computer modeling of pairwise interactions in the heterogeneous system have shown that a character of its fractal property variation in the evolution process would be different…
The prediction of material structure from chemical composition has been a long-standing challenge in natural science. Although there have been various methodological developments and successes with computer simulations, the prediction of…