| EPSRC Reference: |
GR/R02481/01 |
| Title: |
Atomistic Model of Structural Evolution of Nuclear Graphite |
| Principal Investigator: |
Heggie, Professor MI |
| Other Investigators: |
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| Department: |
Chemistry |
| Organisation: |
University of Sussex |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 March 2001 |
Ends: |
31 May 2004 |
Value (£): |
191,545
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Summary on Grant Application Form |
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We shall study the evolution of atomic structure within graphite under various conditions (irradiation by neutrons and gammas with different energies and fluences, thermal annealing). We shall do this with hybrid 'first principles' - 'Kinetic Mote Carlo' approach, similar in spirit to the 'energy landscape' technique. Features we shall put in the model include point defects (and their clustering), dislocations and disclinations. The energetics, structure and movement of each of these features will be studied with first principles (density functional) techniques. Within the energy landscape furnished by density functional calculations we shall run a kinetic simulation of radiation damage and annealing, monitoring energy storage and release, and structural/dimensional changes. The results should be of great value in our understanding of Wigner energy and its possible release during processing or storage of graphite waste.
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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.sussex.ac.uk |