Modelling Additive Manufactured Nanocomposites by Bridging Different Computational Schemes

Fused Deposition Modelling (FDM) is a widely used additive manufacturing technique for rapid prototyping in fields such as tissue engineering, aerospace, and electronics. Polylactic Acid (PLA) is a biodegradable polymer used in FDM due to its printability and compatibility with various addi tives. However, PLA mechanical properties and lack of antibacterial features limit its functionality. Reinforcements like silver nanoparticles, enhance PLA’s mechanical strength and antimicrobial properties, making them suitable for biomedical applications. However, FDM introduces microscale voids that affect mechanical properties, though increased porosity can benefit applications such as bone regeneration scaffolds. This study presents a computational approach that bridges molecular dynamics to capture atomistic behaviours and non-classical micropolar theory to account for material micro-heterogeneities, providing a comprehensive framework for designing additive manufactured PLA nanocomposites.