Molecular Dynamic Simulation of the Local Structure of Al–Cu Melts in Liquid and Supercooled States

Atomic trajectories for Al–Cu alloys in the composition range from 0 to 28 at % of Cu are calculated by the method of classical molecular dynamics using the potential of an immersed atom. The configurations are calculated for isothermal holding for various temperatures both in the region of equilibrium melt and for a supercooled liquid. The analysis of thermodynamic and structural properties of the system is carried out. Melt density values are calculated. An increase in the Cu concentration in the Al melt leads to a nonlinear increase of the density values.