A Multiscale Modelling Approach to Engineering Functional Coatings
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A multiscale modelling approach to Engineering Functional Coatings



A two day meeting at Loughborough University : July 12 and 13 2006

Programme : Wednesday July 12

Morning Session start with 10-30 am Coffee in W 190

11-00 am - 11-40 am "Electroceramic perovskite-type thin film hetero-structures" C. Elsaesser, (Fraunhofer Institute, Freiberg, Germany)

11-40 am - 12-20 pm "Reliable Modelling of Complex Inorganic Interfaces " Nic Harrison (Imperial College and Daresbury Laboratory)


12-20 pm - 1-20 pm Lunch


Afternoon Session

1-20 pm - 2-00 pm "A new approach to fitting interatomic potential functions " Ed Sanville, Steven Kenny and Roger Smith (Loughborough)

2-00 pm - 2-40 pm "Measuring the properties of ultra thin coatings" Steve Bull (Newcastle University)

2-40 pm - 3-20 pm "Modelling non-stoichiometric TiO2 surfaces" Mark Basham and Paul Mulheran (Reading University)


3-30 pm Visit to Applied Multilayers and presentation by Mike Walls of Applied Multilayers


7-00 pm Dinner


Programme : Thursday July 13

Morning Session

9-00 am - 9-40 am "Non-stoichiometric TiO2 surfaces and ultra-thin films; an experimental perspective" Roger Bennett, (Reading University) (Movie from Roger's talk)

9-40 am - 10-20 am "Dielectric and lattice dynamics properties of TiO2" Leandro Liborio (Imperial College and Daresbury Laboratory)


10-20 am - 10-40 am Coffee


10-40 am - 11-20 am "Density-functional calculations of the Ag/ZnO interface" Paul Bristowe and Z. Lin, (Cambridge University)

11-20 am - 12-00 pm "Modelling the properties of ultra thin coatings " Jinju Chen (Newcastle University) (Movie 1 from Jinju's talk) (Movie 2 from Jinju's talk)

12-00 am - 12-40 pm "Nanoindentation of MgO " Ismail Gheewala, Steven Kenny and Roger Smith (Loughborough University)


12-40 pm - Lunch and Departure