Collaborators:

Jens-Uwe Sommer and Rajdeep Singh Payal.

Introduction:

Crystallization of polymers leads to ordering and structure formation on various scales. During crystallization polymers undergo a transition from random coils to fully extended or folded conformations while forming quasi-two-dimensional lamellar structures which can further develop spherulitic and other growth patterns on larger scales. Polymer crystallization proceeds far from thermodynamic equilibrium and the resulting crystalline morphologies are usually meta-stable. The non-equilibrium character of polymer crystals is a challenge for their theoretical understanding.We study polymer crystallization using coarse-grained molecular dynamics simulations and develop models for the understanding of polymer crystallization processes and the properties of polymer crystals.

Highlights:

1. C.-F. Luo and J.-U. Sommer
   Growth Pathway and Precursor States in Single Lamellar Crystallization: MD Simulations
   Macromolecules 44 (2011) 1523
2. C.-F. Luo and J.-U. Sommer
   Coexistence of Melting and Growth during Heating a Semi-crystalline Polymer
   Physical Review Letters 102 (2009) 147801