Topic: Multi-Scale Modeling and Simulation of Advanced Materials

This Special Issue aims to present the state-of-the-art in multi-scale modeling and simulation techniques for advanced materials. Constitutive behaviors of these materials are strongly correlated with the properties and deformation mechanisms of each phase and their microstructures. Especially, microstructural constraints may tailor deformation mechanisms of each phase. Multi-scale modeling and simulation is essential for well capturing microstructural evolution and constitutive behaviors of advanced materials. For example, plastic deformation of crystalline materials is generally carried out through the motion of crystal defects. Atomic-scale modeling can identify structural character, energetics, and kinetics of single or simple crystal defects. However, sufficiently large-scale models in both length and time are required to simulate the migration, interaction, and evolution of crystal defects and their complex configurations at the microscale. The development of predictive models for describing mechanical behaviors of advanced materials demands the strategies of integrating these fundamental mechanisms of crystal defects into meso-/macro-scale models. Most multi-scale modeling schemes are hierarchical, typically passing results from modeling conducted at each successive length/time scale to the next higher scale(s), with the intent to inform model parameters or instruct the form of reduced-order models. Such predictive models would allow engineers and scientists to optimize the processing routes to achieve specific microstructures, thereby enhancing the constitutive behaviors of advanced materials.

Special Issue Summary:
1. Multi-scale modeling and simulation of crystal defects;
2. Multi-scale modeling and simulation of microstructural evolution;
3. Multi-scale modeling and simulation of constitutive behaviors;
4. Model development of multi-scale modeling and informatics.

20 Nov 2024