Berlin 2012 – scientific programme

Parts | Days | Selection | Search | Updates | Downloads | Help

CPP: Fachverband Chemische Physik und Polymerphysik

CPP 23: Poster: Polymer Dynamics

CPP 23.2: Poster

Wednesday, March 28, 2012, 11:00–13:00, Poster A

Simulation of externally stimulated polymer chains — •Kirsten Dammertz, Masoud Amirkhani, and Othmar Marti — Institute of Experimental Physics, Ulm University

In this contribution, we explore by atomistic Molecular Dynamics (MD) simulations the possibility to stimulate and align polymer molecules by electric fields. As model polymers we use various pyridine-containing homopolymers adsorbed on graphite. The primary objective of our study is to investigate conformational changes, dipole reorientations and the trajectory of the molecules. Based on our simulations, we quantify the influence of the chemical composition as well as the strength and orientation of the external field. Polymer-specific conformational characteristics are discussed.

All MD simulations are carried out by means of the LAMMPS software package. To define the potential functions and force field parameters, we apply the polymer consistent force field (pcff).