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EPSRC Reference: GR/M81786/01
Title: HETERO INTERFACE STRUCTURE DETERMINATION BY SIMULTANEOUS ENERGY MINIMISATION AND QUANTITATIVE HREM
Principal Investigator: Moebus, Dr G
Other Investigators:
Hutchison, Dr JL Inkson, Professor B
Researcher Co-Investigators:
Project Partners:
Max Planck Institutes (Grouped)
Department: Materials
Organisation: University of Oxford
Scheme: Standard Research (Pre-FEC)
Starts: 01 September 1999 Ends: 31 August 2002 Value (£): 42,489
EPSRC Research Topic Classifications:
Materials Characterisation Surfaces & Interfaces
EPSRC Industrial Sector Classifications:
Aerospace, Defence and Marine Chemicals
Related Grants:
Panel History:  
Summary on Grant Application Form
High resolution electron microscopy will be performed on characteristic and representative interface structures between non-magnetic metallic thin films. Samples will be grown by molecular beam epitaxy. Structure determination with sub-Angstroem precision will be quantified and applied to dislocation cores. Cu-Al and Nb-V interfaces will be examined first, subsequently composition tuning of Cu-Cu(Al) and Nb-Nb(V) is envisaged to result in interfaces of variable misfit (transition from interface dislocations to bulk-like dislocations). The study comprises distribution, localisation, coherency-type and core-type of interfaces and their dislocations.Computer-controlled structure retrieval routines will be written to refine (optimise) structure models according to two figure-of-merits in parallel: (i) the energy of the structure model and (ii) the R-factor defined by the agreement of simulated to experimental electron microscopy image. The combined information is expected to result in mutual stabilisation of the dislocation-core refinement process. This part is first applied to Cu-A1. An improved exploration of the configuration space with respect to multiple local optima ( metastable structures ) and a check of the applicability regime of various interatomic potential functions are expected as a by-product.
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