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SUMMARY:Nucleation pathways in partially disordered lattice models - David
  Quigley\, University of Warwick
DTSTART:20140116T141500Z
DTEND:20140116T151500Z
UID:TALK49131@talks.cam.ac.uk
CONTACT:Gareth Conduit
DESCRIPTION:Simple lattice models are attractive for the study of non-clas
 sical nucleation and growth from solution\, a phenomenon still largely ina
 ccessible to atomistic simulation. We have extended the Potts Lattice Gas 
 (PLG) model of Duff and Peters to include a metastable partially ordered p
 recursor phase\, mimicking the common mineral calcium carbonate.\n\nUsing 
 a combination of multicanonical Monte Carlo and equilibrium path sampling\
 , we demonstrate that thermodynamically favourable pathways between a meta
 stable solution state and the fully ordered lattice proceed via formation 
 of partially ordered nuclei. By comparing the activation energy associated
  with the ordering of these nuclei to that needed to nucleate the ordered 
 phase directly\, we demonstrate the possibility of dissolution and re-prec
 ipitation as an emergent growth phenomenon of our model.\n\n
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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