Structure of liquid Al80Mn20 alloy by Reverse Monte Carlo simulation

The short-range order in the liquid Al80Mn20 alloy has been studied by Reverse Monte Carlo (RMC) simulation. The predominance of the fivefold symmetry around Mn atoms is specified by several structural features. In respect of the local environment of Mn atoms, bonded pair analysis reveals that the icosahedral order in the structure from RMC simulation is noticiblely weaker than that from the first principles simulation.