Atomic Order and Global Packing in Monoatomic Glasses Al, Cr, Co, Fe and Binary Metallic Glasses TiAI_3 and C0AI3 by Molecular Dynamic Simulation

摘要

In this work, we investigated through molecular dynamics (MD) simulation with the embedded atom method (EAM) the hidden atomic orders by exploiting the radial distribution function (RDF) and Coordination numbers (CN) at each peak position in Al, Cr, Co and Fe metallic glasses (MGs), corresponding to different structures fcc, bcc and hcp, respectively, and the atomic packing factor of Al, Cr, Co, Fe, TiAl3 and CoAl3 MGs. The structure is analyzed by exploiting the peak positions of radial distribution functions RDFs and the results showed a combination of the spherical-periodic order (SPO) and local translational symmetry (LTS) in MGs with a universal scaled behavior of the peak position R-i/R-1 except for bcc initial structures, besides in the supercoooled binary TiAl3 and CoAl3 MGs the topological order is formed by the different characteristic constant sequences following a combined mode between fcc and hcp order.