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BEGIN:VEVENT
DTSTAMP:20260623T234113Z
DTSTART;VALUE=DATE-TIME:20120215T123000
DTEND;VALUE=DATE-TIME:20120215T140000
SUMMARY:Complexity Forum: David Quigley (ÌÇÐÄTV)
TZID:Europe/London
UID:20120215-094d43d5385c299a01386c3bd8d17525@warwick.ac.uk
CREATED:20110712T153141Z
DESCRIPTION:Speaker: David Quigley (ÌÇÐÄTV) Title: Modelling non-classic
 al mechanisms of crystal nucleation and growth Abstract: The growth of c
 rystals from solution is an important step in the synthesis of many chem
 icals and materials. One route to lower-energy manufacture of materials\
 , and to enhancing our control of material structure\, is to direct and 
 control the early stages of crystal nucleation. The standard framework f
 or understanding this process is classical nucleation theory. In this pi
 cture small\, ordered clusters of solute spontaneously grow and re-disso
 lve until one such crystallite reaches a diameter from which it becomes 
 energetically favourable to reach macroscopic size. This picture can be 
 an extreme over-simplification. In particular biomineralisation (the pro
 cess by which organisms grow shell\, teeth and bone) can proceed via hyd
 rated amorphous precursor phases and metastable partially disordered cry
 stallites. Solution additives\, proteins and organic scaffolds exert inf
 luence on the choice of growth mechanism. This talk will review progress
  in molecular scale modelling of biomineralisation\, focussing on recent
  work which proposes a mechanism for forming stable precritical clusters
  of calcium carbonate [1]. Using large scale simulations with accurate a
 tomistic models\, these have been established as polymer-like aggregatio
 n of ions [2]. A rigorous study of this model at the level of statistica
 l thermodynamics would be prohibitively expensive\, leading to interest 
 in capturing non-classical nucleation in simple "toy" models. One such m
 odel will be reviewed\, with a view to future studies aimed at capturing
  partial disorder and stable pre-nucleation behaviour. [1] Gebauer\, Vol
 kel and Colfen\, Science 322\, 1819 (2008). [2] Demichelis\, Raiteri\, G
 ale\, Quigley and Gebauer\, Nature Communications 2\, 590 (2011). ~ Lunc
 h: Group 1
LOCATION:D 1.07
CATEGORIES:MSc students,PhD Students,Seminar Room D1.07,forum
LAST-MODIFIED:20120709T145409Z
ORGANIZER;CN="":
END:VEVENT
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