Soft ellipsoid potential for biaxial molecules
| Autor: | Jayashree Saha |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Materials science
010304 chemical physics Biaxial nematic General Chemical Engineering 02 engineering and technology General Chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Ellipsoid Condensed Matter::Soft Condensed Matter Molecular dynamics Classical mechanics Liquid crystal Modeling and Simulation 0103 physical sciences Torque Molecule General Materials Science 0210 nano-technology Anisotropy Pair potential Information Systems |
| Zdroj: | Molecular Simulation. 42:1437-1443 |
| ISSN: | 1029-0435 0892-7022 |
| DOI: | 10.1080/08927022.2016.1189079 |
| Popis: | A soft ellipsoid contact pair potential model for biaxial molecules is proposed considering the configuration dependent energy anisotropy explicitly alongwith their geometrical aspects. Analytic expressions of forces and torques for this coarse-grained potential are provided to make it convenient for molecular dynamics simulation study. Additionally, some molecular dynamics simulations are performed to generate biaxial smectic and nematic liquid crystal phases. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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