Dresden 2026 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
DS: Fachverband Dünne Schichten
DS 16: Thin Film Application
DS 16.4: Vortrag
Donnerstag, 12. März 2026, 10:15–10:30, REC/C213
Molecular insights into the mechanical and dynamical properties of mechanically interlocked polymer thin films — •Yang Wang1, Andrea Giuntoli1, and Xuzhou Yan2 — 1Zernike Institute for Advanced Materials, University of Groningen, 9747 AG Groningen, Netherlands; — 2State Key Laboratory of Synergistic Chem-Bio Synthesis, Frontiers Science Center for Transformative Molecules, School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai 200240, P. R. China;
Mechanically interlocked networks (MINs) comprise molecular components connected by mechanical bonds, introducing topological constraints that alter deformation pathways. Coarse-grained molecular dynamics simulations are used to investigate substrate-supported and free-standing MIN thin films based on [c2]daisy chain architectures, with systematic variation of extension distance, cross-linking degree, interfacial cohesive strength, and strain rate. Strongly attractive substrates induce pronounced dynamic confinement, whereas weak adhesion leads to enhanced, free-surface-like mobility. Rings exhibit slower dynamics than axle chains, whose mobility is governed by proximity to binding sites. Pull-out and biaxial deformation simulations reveal a three-stage ring-sliding mechanism that suppresses excessive bond scission, maintains network connectivity at large strains, and delays macroscopic failure, thereby enhancing toughness and energy dissipation. These results provide molecular-level insight into MIN thin film mechanics and inform the design of adaptive, energy-dissipating polymer materials.
Keywords: mechanically interlocked polymer; topological confinement; polymer thin film; coarse-grained MD simulation; mechanical and dynamical properties