Smart Biodegradable Nanosystems with Auxetic Metamaterial Shells and Thermosensitive Dynamic Covalent Bonds: Ultra-Slow Controlled Release and Theoretically Minimized Leakage

Precise drug delivery remains a critical challenge in nanomedicine, with conventional nanocarriers suffering from significant drug leakage during circulation, limited control over release kinetics, and a lack of temporal control. This study presents a computational design and multiphysics simulation of a Smart Biodegradable Nanosystem. Through COMSOL Multiphysics simulations encompassing heat transfer, mass diffusion, and fluid dynamics, we validated the theoretical feasibility of a seven-layer architecture. The computational model predicts that mapping a re-entrant auxetic metamaterial topology onto a spherical scaffold enables geometric locking under fluidic stress, theoretically minimizing drug leakage. Furthermore, modeled thermosensitive dynamic covalent bonds demonstrate highly controlled release kinetics. All performance metrics presented herein are derived from predictive mathematical modeling. Theoretical degradation profiles indicate complete breakdown within 90–180 days into endogenous substances. This simulation-based study establishes a rigorous theoretical blueprint to guide future empirical fabrication in precision nanomedicine.