| EPSRC Reference: |
GR/L76693/01 |
| Title: |
MOLECULAR DYNAMICS STUDIES OF A GENERALISED MULTIPOLE MODEL OF MOLECULAR ASYMMETRY IN POLAR LIQUID CRYSTALS |
| Principal Investigator: |
Neal, Professor M |
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| Department: |
Mathematical and Information Sciences |
| Organisation: |
Coventry University |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
24 August 1998 |
Ends: |
23 October 2001 |
Value (£): |
58,102
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| EPSRC Research Topic Classifications: |
| Materials Characterisation |
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| EPSRC Industrial Sector Classifications: |
| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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This programme of research will employ molecular dynamics studies to establish some systematic understanding of the link between molecular structure and liquid crystal phase behaviour, so informing the link between molecular design and material properties. Molecular asymmetry will be built into in a controlled and systematic manner with molecules modelled by multi-site Gay-Berne particles characterised by steric, electric, polyphilic and flexible multipoles following a generalised multipole model of molecular asymmetry. The particular aims of this study are to simulate both novel achiral ferroelectric phases and the well known smectic C phase, all of current technological importance, providing guidance on the features of the molecule that favour the given phase formation.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.cov.ac.uk |