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How to evaluate the interaction between epoxy and a free surface via metadynamics: A coarse-grained example

Mathematics and Mechanics of Solids

Published online on

Abstract

Mathematics and Mechanics of Solids, Ahead of Print.
Molecular investigations into polymer-surface interactions are essential for understanding and optimizing the mechanical behavior of, e.g., adhesive joints or polymer nanocomposites. In this context, metadynamics provides a powerful tool for determining ...