| EPSRC Reference: |
GR/L59474/01 |
| Title: |
ROPA: LATTICE DEFECTS & SOLID-STATE PHASE TRANSITIONS IN POLAR INORGANIC MATERIALS: A PREDICITVE APPROACH |
| Principal Investigator: |
Roberts, Professor KJ |
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| Department: |
Mechanical & Chemical Engineering |
| Organisation: |
Heriot-Watt University |
| Scheme: |
ROPA |
| Starts: |
01 July 1997 |
Ends: |
31 December 1998 |
Value (£): |
36,551
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| EPSRC Research Topic Classifications: |
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| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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This application seeks to develop a predictive approach to investigate the phase transition properties for materials crystallising in the A2BX4 (b-K2SO4) structure, using as a model system, potassium tetrachlorozincate (K2ZnCl4, KZC). It will involve correlating the computational modelling with available crystallographic and physical data, including measurements of electrical conductivity and elastic constants. The proposed work would improve the scope of interatomic potentials used to model material properties in general and more importantly open the way to predicting phase transitions properties in polar materials, potentially moving towards the ability to physically engineer advanced materials.
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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.hw.ac.uk |