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Original Articles

Molecular dynamics study of medium-range order in metallic glasses

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Pages 421-436 | Received 24 Aug 1993, Accepted 31 Aug 1993, Published online: 27 Sep 2006
 

Abstract

Quenching of nickel from the melt leading to its amorphization has been simulated using the Andersen—Nose molecular dynamics technique. The effects of quenching rate and annealing on the glass structure and properties have been studied. Analysis of the amorphous structures through tesselation into Delaunay simplices has shown that they contain extended tetrahedral clusters. These clusters are the most dense, rigid and energetically favourable regions of amorphous material. They are composed of bulky icosahedron-like elements and spiral tetrahedral chains which are identified with dispiration nuclei. The coiled tetrahedral chains are the most stable non-crystalline elements responsible for the resistance of the amorphous structure to crystallization. The tetrahedral clusters determine the scale of medium-range order in an amorphous structure.

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