Multiscale Modeling and Computer-Aided Design of Advanced Materials with Hierarchical Structure

Abstract— The paper briefly reviews the achievements of ISPMS SB RAS in the development of numerical computation methods and models for modeling the mechanical behavior of materials with hierarchical structure in the range of scales from nano to macro. The main stages in the development of several key areas are considered: atomistic modeling at the nanoscale level, continuum numerical methods, and particle method for studying the effect of structure on the behavior and properties of materials at larger spatial and temporal scales. The application of the multiscale approach to the structural modeling and design of metallic and ceramic materials is discussed. Prospects are outlined for transitioning to complete digital twins that link the structure formation process of the material with its final structure, mechanical properties, and mechanical behavior.