Micro-ballistic response of thin film polymer grafted nanoparticle monolayers

S Pal and S Keten, SOFT MATTER, 20, 7926-7935 (2024).

DOI: 10.1039/d4sm00718b

Self-assembled polymer grafted nanoparticles (PGNs) are of great interest for their potential to enhance mechanical properties compared to neat polymers and nanocomposites. Apart from volume fraction of nanoparticles, recent experiments have suggested that nanoscale phenomena such as nanoconfinement of grafted chains, altered dynamics and relaxation behavior at the segmental and colloidal scales, and cohesive energy between neighboring coronas are important factors that influence mechanical and rheological properties. How these factors influence the mechanics of thin films subject to micro-ballistic impact remains to be fully understood. Here we examine the micro-ballistic impact resistance of PGN thin films with polymethyl methacrylate (PMMA) grafts using coarse-grained molecular dynamics simulations. The grafted chain length and nanoparticle core densities are systematically varied to understand the influences of interparticle spacing, cohesion, and momentum transfer effects under high-velocity impact. Our findings show that the inter-PGN cohesive energy density (gamma PGN) is an important parameter for energy absorption. Cohesion energy density is low for short grafts but quickly saturates around entanglement length as adjacent coronas interpenetrate fully. The response of gamma PGN positively influences specific penetration energy, , which peaks before chain entanglement starts (

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