Details of Grant 

EPSRC Reference:	GR/N29389/01
Title:	UNDERSTANDING THIN FILM GROWTH THROUGH SIMULATION - A HYBRID KINETIC MONTE CARLO/MOLECULAR DYNAMICS METHOD
Principal Investigator:	Allan, Professor NL
Other Investigators:	Purton, Dr J Harding, Professor J
Researcher Co-Investigators:
Project Partners:
Department:	Chemistry
Organisation:	University of Bristol
Scheme:	Standard Research (Pre-FEC)
Starts:	01 October 2000	Ends:	30 September 2003	Value (£):	48,731
EPSRC Research Topic Classifications:
EPSRC Industrial Sector Classifications:	No relevance to Underpinning Sectors
Related Grants:
Panel History:
Summary on Grant Application Form
We are applying for a project studentship to implement for the first time a hybrid Kinetic Monte Carlo/molecular dynamics approach, for the modelling of the growth of ionic materials and ultra-thin films on substrates. Methods currently in use have clear limitations, failing to take into account that the deposition event is both a set of single events (on one timescale) and a complex process (the relaxation process after a deposition) on another, much shorter, timescale. Applications include ceramic growth processes and superlattice formation at surfaces: the problem of the evolution of interfaces will provide insight into the earliest stages of solid state reactions and takes up the scale of automistic simulations towards meso-scale modelling.
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Organisation Website:	http://www.bris.ac.uk