Geometric Modeling of the Processes of Formation and Growth of Crystals

Abstract

The analysis of the existing methods for modeling crystallization in various media is carried out, special attention is paid to methods and algorithms for modeling and visualizing the geometric structure of materials. The vector and voxel modeling methods are considered, the advantage of the combined vector-voxel method of geometric modeling of crystallization of pure metals and alloys, based on the geometric features of crystal formation, taking into account changes in the shape of the nucleus during growth, is substantiated. Based on the proposed algorithm, a software package has been created that allows, in the process of modeling the crystallization of metals and alloys, to vary the rate of crystal nucleation, change the size of crystal nuclei and their faceting, set the ratio of the growth rates of various crystallographic faces, and take into account the effect of temperature changes on the growth rate of crystallized regions. The use of such a complex will make it possible to predict the properties of alloys for various initial data; it can also be used to model crystallization processes in other areas.