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Details of Grant 

EPSRC Reference: GR/R24104/01
Title: A Mixed Atomistic and Continuum Model For Crossing Multiple Length and Time Scales
Principal Investigator: Cocks, Professor AC
Other Investigators:
Leimkuhler, Professor B Maksym, Professor P Gill, Dr SPA
Researcher Co-Investigators:
Project Partners:
Department: Engineering
Organisation: University of Leicester
Scheme: Standard Research (Pre-FEC)
Starts: 01 July 2001 Ends: 31 December 2004 Value (£): 222,468
EPSRC Research Topic Classifications:
Materials Characterisation Materials Synthesis & Growth
EPSRC Industrial Sector Classifications:
Electronics
Related Grants:
Panel History:  
Summary on Grant Application Form
During the course of this project two computational approaches will be developed and evaluated for the analysis of multiple length and time scale problems. The first of these is a mixed method in which the atomistic and continuum kinetics are treated separately. but a common geometric description is employed for the computation of the relevant thermodynamic driving forces. The second approach is a fully integrated dynamic quasi-continuum method which combines atomic approaches in regions of high stress concentration and rapid variation of microstructure and continuum descriptions in regions of the b0dy where the microstructural variations are smooth. These approaches will be used to model the growth and relaxation of quantum dots. These studies will focus on the SiGe and InGaAs systems and particular attention will be given to the role of surface reconstruction and the influence of processes at the island perimeter (where: the interfacial stresses are particularly large. the island interacts with the wetting layer, dislocations are most commonly introduced and where atoms attach and detach from the island) on the evolution of the shape, composition and structure of the quantum dot.
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Organisation Website: http://www.le.ac.uk