Structural behavior of copper monatomic metallic glass under various cooling conditions investigated by molecular dynamics simulations

Abstract

The present research explores the structural characteristics of pure copper (Cu) metallic glass using the embedded atom method (EAM) potential in molecular dynamics simulations. Numerous techniques were used, such as coordination number analysis, Voronoi tessellation, and the radial distribution function (RDF). The findings demonstrate that at a cooling rate of 10 12 K/s, crystallization begins. However, the separation of the second RDF peak indicates that under 0 GPa, copper metallic glass forms at cooling rates between 5 × 10¹² K/s and 10 14 K/s, with the glass transition temperature (Tg) rising with faster cooling. Voronoi tessellation revealed a rise in icosahedral clusters with quicker cooling, while coordination number analysis indicated changes in the local structure and topology of copper metallic glass during the cooling process.