Dresden 2026 – scientific programme
Parts | Days | Selection | Search | Updates | Downloads | Help
CPP: Fachverband Chemische Physik und Polymerphysik
CPP 46: Poster II
CPP 46.10: Poster
Thursday, March 12, 2026, 09:30–11:30, P5
Microscopic mechanisms of polymer network breakage under mechanical deformation — •Fernando Martín Salamanca1,2 and Michael Lang1 — 1Institute Theory of Polymers, Leibniz-Institut für Polymerforschung Dresden e.V. Kaitzer Strasse, 4 - 01069 (Dresden) — 2Institute of Polymer Science and Technology, Spanish National Research Council. Juan de la Cierva, 3 - 28006 (Madrid)
The failure of polymer networks arises from a subtle interplay between bond rupture, chain interactions and the underlying topology of the network. In this work, Monte Carlo simulations are used to explore how these factors shape the mechanical response of crosslinked polymers subjected to mechanical stress. The main goal is to evaluate, in a controlled manner, the key elements that modify the mechanical response by computer simulations: the criteria for bond rupture, the mathematical modelling of interactions potentials and force fields, the effect of entanglements and excluded volume. Model networks are evaluated with diverse approaches to quantify the effect of each contribution to elastic modulus. The simulations yield detailed rupture statistics and stress-strain behavior across a broad parameter space, which are compared with predictions from established theoretical descriptions of network elasticity and fracture. Overall, this work provides basic information for understanding network failure and for establishing a first-principles based model for real polymer networks.
Keywords: simulation; deformation; polymer networks; Monte Carlo; Mechanical failure