From here you can get info about us, our work, and our recent
publications.
The main techniques are...
Density Functional Theory
Pictures of
atom positions in simulated burning nitromethane, and the
position of the electrons calculated quantum mechanically. (movies
by Iain MacLeod)
We can tell
how crystalline ammonia vibrates from rigid and non-rigid molecule
molecular dynamics (movies by Murshed Siddick).
Behaviour of materials in the extremely radioactive
environment of a nuclear power reactor, to determine the safe lifetime
of steels under radiation.
GETMAT and
PERFORM-60
Displacement
cascade modelling shows how damage occurs after a collision of a
highly energetic particle with a material, and then mostly heals as the
temperature drops.
Nanoscale machining in steel and titanium alloys
MAMINA
Fundamental physics of Martensitic Transformations
Martensitic phase transitions occur very quickly, in a well defined way
such that each atom in the "parent" phases goes to a well defined site
in the "daughter" phase.
Liquid
Mixtures
Prof. Graeme Ackland
G.J.Ackland@ed.ac.uk
Prof. Jason Crain
Prof. Simon Bates
Dr. Miriam Marques
Dr. Derek Hepburn
Dr. Paul Tulip