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

Abstract

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. The differences of the sequences can be explained by analyzing the parameters of the Gupta-type many-body inter-atomic potentials.

Authors:
; ;  [1]
  1. College of Physics Science and Technology. Xinjiang University, Urumqi 830046 (China)
Publication Date:
OSTI Identifier:
22611525
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 6; Journal Issue: 6; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ATOMS; HCP LATTICES; INTERATOMIC FORCES; MANY-BODY PROBLEM; METALS; SHELLS; STABILITY

Citation Formats

Liang, Xiaogang, Hamid, Ilyar, and Duan, Haiming, E-mail: dhm@xju.edu.cn. Dynamic stabilities of icosahedral-like clusters and their ability to form quasicrystals. United States: N. p., 2016. Web. doi:10.1063/1.4954741.
Liang, Xiaogang, Hamid, Ilyar, & Duan, Haiming, E-mail: dhm@xju.edu.cn. Dynamic stabilities of icosahedral-like clusters and their ability to form quasicrystals. United States. doi:10.1063/1.4954741.
Liang, Xiaogang, Hamid, Ilyar, and Duan, Haiming, E-mail: dhm@xju.edu.cn. Wed . "Dynamic stabilities of icosahedral-like clusters and their ability to form quasicrystals". United States. doi:10.1063/1.4954741.
@article{osti_22611525,
title = {Dynamic stabilities of icosahedral-like clusters and their ability to form quasicrystals},
author = {Liang, Xiaogang and Hamid, Ilyar and Duan, Haiming, E-mail: dhm@xju.edu.cn},
abstractNote = {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. The differences of the sequences can be explained by analyzing the parameters of the Gupta-type many-body inter-atomic potentials.},
doi = {10.1063/1.4954741},
journal = {AIP Advances},
number = 6,
volume = 6,
place = {United States},
year = {Wed Jun 15 00:00:00 EDT 2016},
month = {Wed Jun 15 00:00:00 EDT 2016}
}