Dresden 2026 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 59: Crystallization
CPP 59.5: Talk
Friday, March 13, 2026, 12:30–12:45, ZEU/0260
Crystallization of polymer networks in the constant-strain and constant-stress ensembles — Atmika Bhardwaj1, Huzaifa Shabbir1, Jens-Uwe Sommer1,2, and •Marco Werner1 — 1Bereich Theorie der Polymere, Leibniz-Institut für Polymerforschung Dresden e.V., Dresden, Germany — 2Institut für Theoretische Physik, Technische Universität Dresden, Germany
We investigate how deformation and cross-links affect the crystallization of polymer networks using molecular dynamics simulations. A cooling- and heating cycle are simulated both under constant-strain and constant-stress conditions, monitoring specific volume, crystallinity, and orientational order as functions of temperature. In both ensembles, deformation induces chain pre-alignment along the loading direction, driving crystallization at higher transition temperatures. Under constant stress, the pre-alignment promotes crystal growth along the mechanically induced director resulting in a substantial increase of deformation in favor of that direction. These results show how mechanical ensemble, deformation, and cross-linking can be combined to tailor the shape response of polymer networks upon phase transition.
Keywords: strain; stress; network; crystallinity; simulation