| EPSRC Reference: |
GR/S84415/01 |
| Title: |
Simulation on the Edge |
| Principal Investigator: |
Parker, Professor SC |
| Other Investigators: |
| Islam, Professor MS |
Sayle, Dr DC |
De Leeuw, Professor NH |
| Allan, Professor NL |
Grimes, Professor RW |
Purton, Dr J |
| Lewis, Dr DW |
Jackson, Dr RA |
Willock, Dr DJ |
| Harding, Professor J |
Oliver, Dr P |
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| Researcher Co-Investigators: |
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| Project Partners: |
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| Department: |
Chemistry |
| Organisation: |
University of Bath |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
16 February 2005 |
Ends: |
15 February 2008 |
Value (£): |
522,535
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| EPSRC Research Topic Classifications: |
| Biomaterials |
Materials Characterisation |
| Materials Synthesis & Growth |
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| EPSRC Industrial Sector Classifications: |
| Aerospace, Defence and Marine |
Manufacturing |
| Chemicals |
Electronics |
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| Related Grants: |
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| Panel History: |
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Summary on Grant Application Form |
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Ceramic oxides have great commercial potential in an extensive range of products. In many applications, particularly those in nanoscience and nanotechnology, the interface is unavoidable. A nanoparticle with 1000 atoms has at least 10% of the atoms at the surface. This underestimates the importance of interfaces. Relaxation and restructuring can extend to a depth of several layers; the length-scale for electrostatic effects can be nanometres if not more. Most solid-state chemistry either happens at interfaces or creates them. Since interfaces are inevitable, can we take advantage of them - can interfaces be designed for specific purposes? Examples from biology suggest that this is indeed possible. However design implies control and, for control to be effective, understanding is essential. The complexity of interfaces can only be understood by a combination of experiment and simulation. This proposal will build a network of researchers with complementary interests who will develop and apply new simulation techniques to interfaces. Building on our previous successful collaboration as a group, we are requesting funding for a computer cluster to perform cutting edge research in this area of computational solid state chemistry.
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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.bath.ac.uk |