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Available online at www.sciencedirect.com Physics Procedia 15 (2011) 8791
 

Summary: Available online at www.sciencedirect.com
Physics Procedia 15 (2011) 87­91
1875-3892 © 2011 Published by Elsevier Ltd.
doi:10.1016/j.phpro.2011.06.005
Accurate modeling approach for the structural comparison
between monolayer polymer tubes and single-walled nanotubes
Thomas Vogela,b,
, Tali Mutatc
, Joan Adlerc
, Michael Bachmanna,b
aSoft Matter Systems Research Group, Institut f¨ur Festk¨orperforschung (IFF-2), Forschungszentrum J¨ulich, D-52425 J¨ulich, Germany
bCenter for Simulational Physics, Department of Physics and Astronomy, The University of Georgia, Athens, GA, 30602, USA
cDepartment of Physics, Technion, Israel Institute of Technology, Haifa, 32000, Israel
Abstract
In a recent computational study, we found highly structured ground states for coarse-grained polymers adsorbed
to ultrathin nanowires in a certain model parameter region. Those tubelike configurations show, even at a first glance,
exciting morphological similarities to known atomistic nanotubes such as single-walled carbon nanotubes. In order to
explain those similarities in a systematic way, we performed additional detailed and extensive simulations of coarse-
grained polymer models with various parameter settings. We show this here and explain why standard geometrical
models for atomistic nanotubes are not suited to interpret the results of those studies. In fact, the general structural

  

Source: Adler, Joan - Physics Department, Technion, Israel Institute of Technology
Bachmann, Michael - Institut für Theoretische Physik, Universität Leipzig

 

Collections: Physics