Phase-Field Fracture Modeling of Porous Materials Informed by Molecular Dynamics

Heterogeneous porous structures, spanning multiple length scales from nano- to macro-levels, are found in both natural and engineered materials. To fully understand their mechanical and fracture behaviors, it is essential to explore the relationship between porosity and mechanical integrity at different scales. In this presentation, we focus on the mechanical responses of these complex structures, with a particular emphasis on the role of nano-porosity. Our approach combines multi-scale analysis, integrating molecular dynamics simulations at the atomistic level with phase-field fracture methods at the continuum level. This allows us to capture critical material properties from the nanoscale, examining how variations in porosity, pore shapes, and their interactions influence the macroscopic mechanical and fracture behaviors. We will present several case studies to highlight the significant impact of nano-pore morphology on the overall fracture response of porous materials.