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MODELLING of EXPERIMENTS

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  • Split interstitial defect - known to be the most stable defect in diamond. Prior to our (Saada, Kalish, Adler) study, path to its formation unclear.

  • Carbon atoms displaced with energy of 64EV - mimics endstage of damage cascade after ion-implantation. Classical MD with Tersoff potential. Original visualization OpenGL, image at left later AViz version,

  • To locate the split interstitial within the diamond sample we changed bond color at the bondlength characteristic of the defect. The defect jumped out at us. In the sample at left 3 fold coordinated atoms and bonds between atoms of different coordinations are also colorcoded to shown the development clearly. Press for animation that shows a breathing-mode phonon.

  • Simulation of formation of split interstitial defect at the end of a damage cascade

    These slides online at http://phycomp.technion.ac.il/~phr76ja/CCP2010