Molecular Dynamics Investigation of Network Connectivity and Hydration Effects on the Elastic Behavior of Crosslinked Poly(aminoamide) Networks

Understanding the molecular origins of mechanical performance in soft polymer networks is central to developing adaptable materials with tunable properties. Subtle variations in network topology or environmental conditions can markedly influence stiffness, elasticity, and structural stability. In this work, using molecular dynamics simulations, we investigate poly(aminoamide) networks in which intramolecular connectivity is systematically varied to modulate overall topology. We subject these networks to uniaxial tensile deformation to quantify how topological variations affect the elastic response of the material. We also investigate hydration, assessing how water-polymer interactions recognize the network and alter its mechanical behavior. By systematically tuning connectivity and hydration level, this study provides molecular-scale insight into how topology and environment together govern the mechanical response of soft, crosslinked materials.