Abstract
Molecular dynamics simulations have been performed to study the vitrification process and the local atomic structures in Ni monatomic metallic glasses (MG). The interatomic interactions are described by embedded atom method (EAM) potentials. Short-range order (SRO) and medium range order (MRO) in nickel monatomic MG is studied using several structural techniques such as the Radial distribution function (RDF); the Common neighbor analysis method (CNA) and the Voronoi tessellation. As a result, we found that the atomic packing in metallic glasses can be described globally as a superposition of the spherical-periodic order (SPO) and the local translational symmetry (LTS). From CNA method, we found that the majority of icosahedral clusters in Ni monatomic MG are connected together by vertex-sharing (VS), edge-sharing (ES), face-sharing (FS) and intercross-sharing (IS) rather than isolated clusters. These typical cluster connections constitute to the partial RDF of icosahedral atoms except the edge sharing which is hidden between the second and the third subpeaks of RDF. Furthermore, the visualization technologies are applied to follow the formation of clusters during rapid quenching. It is found that the clusters ⟨0,1,10,2⟩ and ⟨0,2,8,4⟩ are more dominant than the full icosahedral polyhedron ⟨0,0,12,0⟩ in our monatomic system. Furthermore, the splitting of the second peak in RDF curve in Ni glass is not only caused by the icosahedral clusters, but also by the Voronoi polyhedrons ⟨0,1,10,2⟩ and ⟨0,2,8,4⟩.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.