Interstitial clustering in metallic systems as a source for the formation of the icosahedral matrix and defects in the glassy state

Interstitial clustering in metallic systems as a source for the formation of the icosahedral... The paper presents molecular dynamics and -statics simulations of a prototypical mono-atomic metallic system (aluminum) and its defects in the crystalline and glassy states. It is shown that there is a thermodynamic driving force for the association of dumbbell interstitials in the crystalline lattice into clusters consisting of different amounts of defects. Clusters containing seven interstitials constitute perfect icosahedra. Within the general framework of the interstitialcy theory, melting of simple metallic crystals is intrinsically related to a rapid increase of the concentration of dumbbell interstitials, which remain identifiable structural units in the liquid state. Then, the glass produced by rapid melt quenching contains interstitial-type defects. The idea of the present work is to argue that the major structural feature of many metallic glasses—icosahedral ordering—originates from the clustering of interstitial-type defects frozen-in upon melt quenching. Separate defects and their small clusters represent the defect part of the glassy structure. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Physics: Condensed Matter IOP Publishing

Interstitial clustering in metallic systems as a source for the formation of the icosahedral matrix and defects in the glassy state

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Copyright
Copyright © 2019 IOP Publishing Ltd
ISSN
0953-8984
eISSN
1361-648X
DOI
10.1088/1361-648X/ab29d4
Publisher site
See Article on Publisher Site

Abstract

The paper presents molecular dynamics and -statics simulations of a prototypical mono-atomic metallic system (aluminum) and its defects in the crystalline and glassy states. It is shown that there is a thermodynamic driving force for the association of dumbbell interstitials in the crystalline lattice into clusters consisting of different amounts of defects. Clusters containing seven interstitials constitute perfect icosahedra. Within the general framework of the interstitialcy theory, melting of simple metallic crystals is intrinsically related to a rapid increase of the concentration of dumbbell interstitials, which remain identifiable structural units in the liquid state. Then, the glass produced by rapid melt quenching contains interstitial-type defects. The idea of the present work is to argue that the major structural feature of many metallic glasses—icosahedral ordering—originates from the clustering of interstitial-type defects frozen-in upon melt quenching. Separate defects and their small clusters represent the defect part of the glassy structure.

Journal

Journal of Physics: Condensed MatterIOP Publishing

Published: Sep 25, 2019

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