Simulation of a hard-spherocylinder liquid crystal with the pe

Journal article


Publication Details

Author(s): Fischermeier E, Bartuschat D, Preclik T, Marechal M, Mecke K
Journal: Computer Physics Communications
Publisher: Elsevier
Publication year: 2014
Volume: 185
Pages range: 3156-3161
ISSN: 0010-4655


Abstract


The pe physics engine is validated through the simulation of a liquid crystal model system consisting of hard spherocylinders. For this purpose we evaluate several characteristic parameters of this system, namely the nematic order parameter, the pressure, and the Frank elastic constants. We compare these to the values reported in literature and find a very good agreement, which demonstrates that the pe physics engine can accurately treat such densely packed particle systems. Simultaneously we are able to examine the influence of finite size effects, especially on the evaluation of the Frank elastic constants, as we are far less restricted in system size than earlier simulations.



FAU Authors / FAU Editors

Bartuschat, Dominik Dr.-Ing.
Lehrstuhl für Informatik 10 (Systemsimulation)
Fischermeier, Ellen
Lehrstuhl für Theoretische Physik
Marechal, Mattheus Dr.
Lehrstuhl für Theoretische Physik
Mecke, Klaus Prof. Dr.
Lehrstuhl für Theoretische Physik
Preclik, Tobias Dr.-Ing.
Lehrstuhl für Informatik 10 (Systemsimulation)


How to cite

APA:
Fischermeier, E., Bartuschat, D., Preclik, T., Marechal, M., & Mecke, K. (2014). Simulation of a hard-spherocylinder liquid crystal with the pe. Computer Physics Communications, 185, 3156-3161. https://dx.doi.org/10.1016/j.cpc.2014.08.014

MLA:
Fischermeier, Ellen, et al. "Simulation of a hard-spherocylinder liquid crystal with the pe." Computer Physics Communications 185 (2014): 3156-3161.

BibTeX: 

Last updated on 2018-19-04 at 02:44