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JOURNALS // Chemical Physics and Mesoscopics // Archive

CPM, 2015 Volume 17, Issue 4, Pages 543–548 (Mi chphm233)

Molecular-dynamics simulation of local cluster structure of aluminium in liquid and supercooled states

A. V. Murina, I. N. Shabanovaab

a Physical-Technical Institute, Ural Branch of the Russian Academy of Sciences, Izhevsk, Russia
b Udmurt State University, Izhevsk, Russia

Abstract: In the present paper, the results of the molecular-dynamics simulation of aluminum in liquid and supercooled liquid states displayed. The analysis of the local cluster structure has been conducted with the use of the bond orientational order parameter. In contrast with previous findings, wich dealt with d-metals, we take into the account p-metal (Al). It is shown that the local icosahedral order is present, and it enhances at supercooling. The hypothesis of the formation of icosahedral quasicrystals discussed.

Keywords: liquid metals, cluster structure, quasicrystals, the method of molecular dynamics.

UDC: 544.232+544.273



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