The i̇nvestigation of local order of transitions metals under di̇fferent physical situations by molecular dynamics simulation

In this study, the physical properties of two important transition metals such as nickel and copper have been investigated by molecular dynamics (MD) simulation. In this method, it has been made use of semi-emprical potential energy function which based on embedded atom method. Especially, the local order of atomic structures which seen during the phase transitions and taken place during the cooling processes have been analysed with bond orientational order parameters. In addition this, the radial distribution function has been used to determine structural properties of systems during the slow and rapid cooling processes. On the other hand, the some thermodynamic parameters and phase transitions temperatures of modelled structures have been determined MD method. All this physical parameters at two different cooling processes have been reanalysed by using different pressure values and the results have been evaluated.