Clustering, microalloying and mechanical properties in Cu/Zr-based glassy models by molecular dynamics simulations and ab-initio computations

Article ID	Journal	Published Year	Pages	File Type
1615880	Journal of Alloys and Compounds	2012	5 Pages	PDF

Abstract

âº Cu-Zr MGs consist of interpenetrating ICO-like clusters (superclusters (SCs)). âº The SCs participate in the accommodation of the tensile deformation. âº The SCs may exhibit a free of bonds (FoB) plane. âº Al microalloying changes the SCs' electronic structure inducing FoB planes. âº Control of SCs' electronic structure may lead to control of MGs' properties.

Keywords

Clusters Atomic scale structure Computer simulations Metallic glasses Amorphous materials

Related Topics

Physical Sciences and Engineering Materials Science Metals and Alloys

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Clustering, microalloying and mechanical properties in Cu/Zr-based glassy models by molecular dynamics simulations and ab-initio computations

Authors

Ch.E. Lekka, G.B. Bokas, G.A. Almyras, D.G. Papageorgiou, G.A. Evangelakis,