Structures of Liquid Aluminum under High Pressure

Molecular dynamics simulation has been carried out for melt Al under the constant-temperature and constant-pressure. The interaction between atoms is described by tight-binding many body potentials based on the second-moment approximation to the electronic density of states. The pair correlation function and the pair analysis technique are used to reveal the structural features of liquid Al under the normal and high pressure. The high pressure is favorable to the existence of bcc-cluster 1661 and 1441, but has no effect on the fcc-cluster 1421. The bond pair 1551 and 1541 with fivefold symmetry exists at high pressure. The microstructure of liquid is more similar to the structure of non-crystalline than to crystalline. The simulation results are supported by the x-ray experimental results.