Simulation of a hard-spherocylinder liquid crystal with the pe

Fischermeier E, Bartuschat D, Preclik T, Marechal M, Mecke K (2014)

Publication Type: Journal article

Publication year: 2014


Publisher: Elsevier

Book Volume: 185

Pages Range: 3156-3161


DOI: 10.1016/j.cpc.2014.08.014


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.

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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.


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

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