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SUMMARY:Multiscale modelling of brittle fracture in oxides and semiconduct
 ors - James Kermode\, King's College\, London
DTSTART:20131017T140000Z
DTEND:20131017T150000Z
UID:TALK46151@talks.cam.ac.uk
CONTACT:Stephen Walley
DESCRIPTION:Fracture is one of the most challenging ‘multi-scale’ prob
 lems to model: since crack propagation is driven by the concentration of a
  long-range stress field at an atomically sharp crack tip\, an accurate de
 scription of the chemical processes occurring in the small crack tip regio
 n is therefore essential\, as is the inclusion of a much larger region in 
 the model systems. Both these requirements can be met by combining a quant
 um mechanical description of the crack tip with a classical atomistic mode
 l that captures the long-range elastic behaviour of the surrounding crysta
 l matrix. Examples of the application of these techniques to fracture prob
 lems include low-speed dynamical fracture instabilities in silicon\, inter
 actions between moving cracks and material defects such as dislocations or
  impurities\, very slow crack propagation via kink formation and migration
 \, and chemically activated fracture\, where cracks advance under the conc
 erted action of stress and corrosion by chemical species such as oxygen or
  water.
LOCATION:Mott Seminar Room\, Cavendish Laboratory
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