AI & Computingarticle2026-10-17

Polymer Knots in Thin Slit-Confined Melts: Thickness Dependence, Local Effects, and Stiffness

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Abstract

Abstract We study how confinement affects topology and conformations in flexible and semiflexible slit-confined polymer melts of varying thickness h. The knotting probability exhibits a maximum at intermediate thicknesses near the bulk radius of gyration h ≈ Rg,bulk, vanishes at small h, and approaches bulk values for large h. While knotting is enhanced close to boundaries, the entanglement length increases monotonically and conformations become increasingly flattened. A layer-resolved analysis of structural and topological properties allows us to reconstruct the explicit thickness dependencies by integrating layer-resolved properties of a thick slit.

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View paper (DOI)Open access versionOpenAlexMacromoleculesPublished 2026-10-17

Authors: Maurice P. Schmitt, H. Meyer, Peter Virnau

Institutions: Université de Strasbourg, Johannes Gutenberg University Mainz