Computational Design of Hierarchically Structured Materials

A systems approach that integrates processing, structure, property, and performance relations has been used in the conceptual design of multilevel-structured materials. For high-performance alloy steels, numerical implementation of materials science principles provides a hierarchy of computational models defining subsystem design parameters that are integrated, through computational thermodynamics, in the comprehensive design of materials as interactive systems. Designed properties combine strength, toughness, and resistance to impurity embrittlement. The methods have also been applied to nonferrous metals, ceramics, and polymers.