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SUMMARY:Exotic physical properties of matter studied by simulation - Marti
 n Dove\, Queen Mary University
DTSTART:20140514T100000Z
DTEND:20140514T104500Z
UID:TALK52602@talks.cam.ac.uk
CONTACT:Dr. Mike Towler
DESCRIPTION:Over the past two decades experimental work has identified mat
 erials that\nshrink when heated\, and get softer when compressed. These an
 d other related\nproperties appear\, at least from an admittedly limited s
 et of data\, to be\nlinked. Recently we have explored a number of these ma
 terials based largely\non simulations of phonon spectra of various example
 s\, coupled with models\nbased on structure flexibility. We show how negat
 ive thermal expansion and\npressure-induced softness arise together as an 
 inevitable consequence of the\nflexibility of the structure. We also expos
 e a new and possibly common\nmechanism for negative thermal expansion base
 d on the role of acoustic\nmodes. The role of phonon anharmonicity is also
  explored. I would claim that\nwe are still on the route towards understan
 ding these materials\, but from a\nphysics perspective we are making real 
 progress.\n\n
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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