Computer simulations of soft repulsive spherocylinders

Earl, D.J.; Ilnytskyi, J.; Wilson, M.R.

Abstract

Computer simulations of systems of soft repulsive spherocylinders (SRS) of aspect ratio (L/D) equal to 4 have been carried out using the parallel molecular dynamics program GBMOLDD. At sufficiently high densities the system forms stable nematic and smectic-A liquid crystalline phases. Results are presented for a series of seven isochores in the NVE ensemble, and for isobars at T* = kT/epsilon = 0,5; 1.0; 1.5 in the NpT ensemble.

Citation

Earl, D., Ilnytskyi, J., & Wilson, M. (2001). Computer simulations of soft repulsive spherocylinders. Molecular Physics, 99(20), 1719-1726

• Journal Article Type: Article
• Publication Date: 2001-10
• Journal: Molecular Physics
• Print ISSN: 0026-8976
• Electronic ISSN: 1362-3028
• Publisher: Taylor and Francis Group
• Peer Reviewed: Peer Reviewed
• Volume: 99
• Issue: 20
• Pages: 1719-1726
• Public URL: https://durham-repository.worktribe.com/output/1580429
• Publisher URL: <Go to ISI>://000171032300002