Details of Grant 

EPSRC Reference:	GR/H64705/01
Title:	COMPUTER SIMULATION OF THE OXIDE-METAL INTERFACE
Principal Investigator:	Bullett, Professor B
Other Investigators:	Parker, Professor SC
Researcher Co-Investigators:
Project Partners:
Department:	Physics
Organisation:	University of Bath
Scheme:	Standard Research (Pre-FEC)
Starts:	01 January 1993	Ends:	31 December 1995	Value (£):	90,488
EPSRC Research Topic Classifications:	Materials Characterisation
EPSRC Industrial Sector Classifications:
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Summary on Grant Application Form
Atomistic simulation techniques combined with electronic structure calculations will be used to examine surface oxide properties and the oxide-metal interface. In addition to its relevance to basic surface science, this work relates to problems in two applied areas, namely heterogeneous catalysis and corrosion. Studies will focus on (i) the electronic and geometric structure at oxide surfaces and oxide-metal interfaces, relating the results to experimental data, and including the role of oxygen vacancies and extrinsic defects, (ii) the growth of oxides on metals and the adhesion of the passivation layer to the metal, (iii) the growth of metals on oxide substrates, and the factors influencing island formation in preference to surface wetting, (iv) the atom transportmechanisms associated with these growth processes.
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Organisation Website:	http://www.bath.ac.uk