Microstructural and mechanical behaviors of Nickel pure metallic glass investigated by molecular dynamics simulations

The purpose of this study is to examine the microstructural properties of Ni pure metallic glass and to uncover how the system reacts when subjected to mechanical pressure during tensile testing. Molecular dynamics simulations, in conjunction with the embedded-atom approach, were used to carry out the investigation. The local structure of the Ni-monatomic metallic glass was examined by analyzing structure parameters such as the radial distribution function and Voronoi tessellation. The results show that the distorted icosahedra <0,1,10,2> and <0,2,8,4> are the most significant structures in the Ni system. Furthermore, the study reveals that mechanical testing has an impact on the local structures. In fact, the tensile testing decreased the significance of short-range order by reducing the fraction of icosahedra and icosahedra-like structures.