| EPSRC Reference: |
GR/M44903/01 |
| Title: |
ROPA:APPLICATION OF ATOMIC SCALE COMPUTER SIMULATION TO ENVIROMENT INDUCED DEGRADATION OF ZIRCONIA |
| Principal Investigator: |
Rawlings, Dr R |
| Other Investigators: |
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| Department: |
Materials |
| Organisation: |
Imperial College London |
| Scheme: |
ROPA |
| Starts: |
29 September 1999 |
Ends: |
27 February 2001 |
Value (£): |
58,640
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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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Zirconia ceramics may be produced with a metastable tetragonal structure, but an environment induced transformation to the equilibrium monoclinic structure can occur and degrade mechanical performance. It is proposed to extend the current microscopic study of this phenomenon to atomistic scale computer simulations. First we will model the energies and structures associated with (OH) compensation of cation impurities in the ZrO2 lattice and compare this to simple oxygen vacancy compensation. Then we will study the behaviour of (OH) groups on pure and doped ZrO2 surfaces. Finally, we wish to carry out preliminary investigations of proton conduction through the lattice.
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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.imperial.ac.uk |