The Calculation of P-T Diagrams of Al Using Molecular Dynamic Simulation.

In this work, molecular dynamic (MD) simulations are performed for Al based on the embedded atom method (EAM). P-T diagrams are determined, the bulk moduli, the radial distribution functions, are also calculated. The computed thermodynamic parameters are found, generally, to be in good agreement with the available experimental data. © 2007 American Institute of Physics [ABSTRACT FROM AUTHOR]