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Persistent URL http://purl.org/net/epubs/work/53912
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Record Id 53912
Title Dissipative particle dynamics of non-spherical particles using a Gaussian desnity model
Abstract The Gaussian density molecular model has been adapted for dissipative particle dynamics. The model, when combined with a soft potential, is shown to be a very flexible mesoscale model exhibiting a wide range of phase behaviour. The soft potential allows relatively large time steps to be used and hence a more rapid equilibration. In addition, the model can be used to study both uniaxial and biaxial systems. We have undertaken a number of pilot studies and have demonstrated that the Gaussian model is able to identify nematic-isotropic phase transitions in liquid crystals and the formation of ordered discotic phases.
Organisation CSE , STFC
Keywords liquid crystal , Materials , dissipative particle dynamics , Gaussian density model
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Language English (EN)
Type Details URI(s) Local file(s) Year
Journal Article Mol Simul 36, no. 10 (2010): 796-800. doi:10.1080/08927021003752861 2010