Search

The main purpose of this scientific work is to review the current methods of multifunctional material design, and to establish approaches based on multiscale nondeterministic analyzes that can be used to model composite coatings. Analyzing of the literature data showed that methods of computer modeling of materials can be classified by the following. The first group represents approaches in which for selected values of functional properties the process of selecting materials is based on a combinatorial search in the experimental database. The second one is a computer simulation based on computational methods and the theoretical foundations of physical materials science, where a bottom-up approach, including quantum and molecular modeling, is used to accelerate the discovery of new materials. The third is the method of modeling materials, based on the integration of computational stimulation, system engineering, production and design. It is established that all the listed approaches are designed for bulk materials and are not adapted for protective coatings. Therefore, the creation of methods for modeling computer design of composite coatings with given functional properties is an important task in the field of information systems. [ABSTRACT FROM AUTHOR]