Cluster structures and evolution in liquid Al-Pb alloys

Molecular dynamics (MD) simulations was used to investigate the structures and evolution of atom clusters in liquid Al-Pb alloys. Pair correlation functions and chemical short-rang-order (CSRO) parameters indicate that inhomogeneous atoms are prone to be repulsed while Al-Al and Pb-Pb clusters are easy to emerge. The Voronoi analysis shows that the main coordination number around Al atoms and polyhedron index vary with Pb increasing. The main coordination number abruptly decrease from 11 to 9 when the Pb atomic percentage range from 30% - 40%, proving that Al-Al and Pb-Pb clusters are prone to be separated.