Three-dimensional model of quasicrystalline atomic structure

Abstract

A three-dimensional model of quasicrystalline atomic structure is proposed. The model originates from a 33-atom dodecahedral cluster and involves a strategy allowing us to progressively increase the size of the system using only three basic clusters as building blocks. The structure obtained is characterized simultaneously by dense local atomic packing and by global quasicrystalline properties ͑intrinsic icosahedral symmetry, the absence of translational order, and self-similarity at different length scales͒. A 439-atom computer model has been built following the proposed strategy and has demonstrated the possibility to combine global quasicrystalline symmetry with a reasonable local packing of atoms. In order to elucidate the hierarchical nature of the long-range order in the proposed model, it is also analyzed using the disclination network approach.

Experimental evidence of structural evolution in ultrafine cobalt particles stabilized in different polymers—From a polytetrahedral arrangement to the hexagonal structure

“…37 Their analysis of the geometry of the different sites likely to be occupied during further growth seems completely relevant to our problem. Starting with the 45-atom triacontahedron already described, the next shell can be formed by a truncated icosahedron ͑the same shape as the C60 molecule͒.…”

Global optimization and the energy landscapes of Dzugutov clusters

“…2 Since then convincing evidence that simple liquids have polytetrahedral 3 order has been obtained, 4 and so the use of clusters as models of local order in liquids has become common. 5 Furthermore, clusters with five-fold symmetry are often used as building blocks for quasicrystalline structures 6,7,8,9 and metallic crystals. 10 Much of the computational work on supercooled liquids and glasses has focussed on the behaviour exhibited by systems interacting according to simple model potentials.…”

Generation of Quasiperiodic Structures by Amassment Centres in Multilattices

“…The important role of sharing atoms by clusters for formation and stability of quasicrystals is demonstrated by Jeong & Steinhardt (1997) using a Penrose-like tiling that is constructed by a single prototile. The choice of basic atomic clusters by a shell- O by-shell algorithm and a demonstration of quasicrystalline growth using these clusters is reported by Borodin & Manichev (1996). Some experimental evidence was supplied by Ebert et al (1996): they revealed the cluster structure of Czochralski-grown A1PdMn single quasicrystals by scanning tunnelling microscopy investigations.…”