A rigid core-flexible chain model for mesogenic molecules in molecular dynamics simulations of liquid crystals
A model of a mesogenic molecule, built up as a rigid anisotropic Gay–Berne site mimicking the aromatic core, connected to an array of isotropic sites mimicking a flexible chain, is proposed and tested in molecular dynamics calculations. Simulations have been performed on a system composed of 256 mol...
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| Veröffentlicht in: | The Journal of chemical physics 1996-10, Vol.105 (16), p.7097-7110 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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