| EPSRC Reference: |
GR/L05068/01 |
| Title: |
MANY-BODY EFFECTS IN INTERIONIC INTERACTIONS |
| Principal Investigator: |
Fowler, Professor PW |
| Other Investigators: |
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| Project Partners: |
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| Department: |
Chemistry |
| Organisation: |
University of Exeter |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 January 1997 |
Ends: |
31 December 2000 |
Value (£): |
171,700
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Summary on Grant Application Form |
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The proposal is for a PDRA, an earmarked studentship and dedicated workstation to enable investigation by electronic structure and calculations and simulation of many-body effects in ionic materials, highlighting and quantifying the roles of quadruple polarisation, cation polarisation and variation of crystal stoichiometry and type. Evaluation of the limits of spherical-ion models and non-deformable models will lead to new and transferable potentials for a wide range of materials, with the aim of eventual incorporation in software for computer simulation of solids.
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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.ex.ac.uk |