Numerical Simulation of Defects in Quasicrystals
Quasicrystals are novel types of ordered material structures with noncrystallographic symmetries and quasiperiodic mass density. In addition to the translational displacement degree of freedom (akin also to periodic crystals) they possess a phason degree of freedom which can change the local neighborhood of atoms. The characteristic defects of quasicrystals are dislocations. These, however, are accompanied by phasonic fields. The mechanical properties of quasicrystals, plasticity and fracture, are strongly influenced by this degree of freedom. The motion of dislocations and cracks is studied by molecular dynamics simulations of sheared and torn two- and three-dimensional model quasicrystals.
KeywordsLiquid Crystal Dislocation Motion Dislocation Line Bond Representation Large Atom
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