Stability and atomic motifs of quasicrystalline models

F. Lançon , L. Billard

By numerical relaxation with interatomic pair potentials, we study the stability of quasicrystalline models. A monoatomic model and a AlMnSi model are found stable and we present their partial pair distribution functions. These quasicrystalline structures are described by 3D cross sections through 3D atomic motifs in a 6D space. During the relaxation, atoms move from their initial positions and we show that these displacements correspond to modifications of the atomic motifs.

Mots clés: aluminium alloys; crystal atomic structure of alloys; manganese alloys; potential energy functions; quasicrystals; silicon alloys

Domaines: Articles anciens

F. Lançon, L. Billard. Stability and atomic motifs of quasicrystalline models. Journal de Physique, 1990, 51 (11), pp.1099-1111. ⟨10.1051/jphys:0199000510110109900⟩. ⟨jpa-00212433⟩