Dynamic stabilities of icosahedral-like clusters and their ability to form quasicrystals | Zendy

Xiaogang Liang | Zendy; Ilyar Hamid | Zendy; Haiming Duan | Zendy

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Dynamic stabilities of icosahedral-like clusters and their ability to form quasicrystals

Author(s) -

Xiaogang Liang,

Ilyar Hamid,

Haiming Duan

Publication year - 2016

Publication title -

aip advances

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.421

H-Index - 58

ISSN - 2158-3226

DOI - 10.1063/1.4954741

Subject(s) - icosahedral symmetry , quasicrystal , octahedron , crystallography , shell (structure) , metal , chemistry , materials science , crystal structure , chemical physics , metallurgy , composite material

The dynamic stabilities of the icosahedral-like clusters containing up to 2200 atoms are investigated for 15 metal elements. The clusters originate from five different initial structures (icosahedron, truncated decahedron, octahedron, closed-shell fragment of an HCP structure, and non-closed-shell fragment of an HCP structure). The obtained order of the dynamic stabilities of the icosahedral-like clusters can be assigned to three groups, from stronger to weaker, according to the size ranges involved: (Zr, Al, Ti) > (Cu, Fe, Co, Ni, Mg, Ag) > (Pb, Au, Pd, Pt, Rh, Ir), which correspond to the predicted formation ability of the quasicrystals. Thedifferences of the sequences can be explained by analyzing the parameters of the Gupta-type many-body inter-atomic potentials

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