Journal
MOLECULAR PHYSICS
Volume 116, Issue 21-22, Pages 2806-2811Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268976.2018.1471232
Keywords
Compression; simulation; chiral liquid crystal; Yukawa rods; packing fraction
Funding
- Fonds National de la Recherche Luxembourg (Luxembourg National Research Fund) (FNR
- project MISONANCE) [C14/MS/8331546]
- Ministerium fur Wissenschaft, Forschung und Kunst Baden-Wurttemberg (MWK)
- Deutsche Forschungsgemeinschaft (DFG)
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We present a Monte Carlo simulation study of the compression of helical Yukawa rods under isobaric conditions. The model is a chiral liquid crystal mesogen, which mimics, for instance, cellulose nanocrystals. It has several parameters (e.g. surface charge and internal pitch), which influence the compression route and the final structure. The strongest dependence of the structure of the condensed phase is found for the internal pitch of the charge helix: decreasing the internal pitch reduces the maximum density under otherwise equal conditions. [GRAPHICS] .
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