ePubs
The open archive for STFC research publications
Home
About ePubs
Content Policies
News
Help
Privacy/Cookies
Suggest an Enhancement
Contact ePubs
Full Record Details
Persistent URL
http://purl.org/net/epubs/work/53912
Record Status
Checked
Record Id
53912
Title
Dissipative particle dynamics of non-spherical particles using a Gaussian desnity model
Contributors
JA Purton (STFC Daresbury Lab.)
,
W Smith (STFC Daresbury Lab.)
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
Funding Information
Related Research Object(s):
Licence Information:
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
Showing record 1 of 1
Recent Additions
Browse Organisations
Browse Journals/Series
Login to add & manage publications and access information for OA publishing
Username:
Password:
Useful Links
Chadwick & RAL Libraries
SHERPA FACT
SHERPA RoMEO
SHERPA JULIET
Journal Checker Tool
Google Scholar