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O: Fachverband Oberflächenphysik

O 22: Poster Session - 2D Materials Beyond Graphene: Growth, Structure and Substrate Interaction

O 22.5: Poster

Montag, 16. März 2020, 18:15–20:00, P1A

Classical molecular dynamics investigation of carbon nanomembranes — •Julian Ehrens and Jürgen Schnack — Universität Bielefeld, PF 100131, D-33615 Bielefeld

Nanometer thin carbon nanomembranes (CNMs) that are made by electron-induced crosslinking of aromatic self-assembled monolayers (SAMs) [1] can not be adequately investigated with regard to their internal structure by experimental means such as X-ray diffraction. Computer simulation is thus a viable method to further investigate the membranes on an atomic level.

We present the extension and continuation of our previous theoretical research with the focus on possible internal structures of carbon nanomembranes. We compare our theoretical estimates of the Young's modulus to the experimental results. For our calculations classical molecular dynamics as implemented in LAMMPS is employed and various ways of obtaining the modulus are presented for different models of membrane formation.

[1] Turchanin et al., Progress in Surface Science, Volume 87, Issues 5-8, May-August 2012, Pages 108-162