Equations of state of the molten and crystalline phases of aluminum with deep entry into metastable regions

Abstract

The article is devoted to the problem of constructing equations of state with deep entry into metastable regions (overheating/undercooling) of the molten and crystalline phases of aluminum. For mathematical modeling of hydrodynamic processes, the knowledge of the equations of state is the source of the most important information about the dependence of the thermodynamic properties of a substance on the microscopic internal structure. Moreover, for modeling, the equations of state are required in the form of smooth analytical dependencies with the characteristics of metastable states. Molecular dynamics simulation was used as the main tool for obtaining the equations of state. Based on the results of molecular dynamics calculations, the work obtained mutually consistent single-phase equations of state for molten and crystalline aluminum in tabular form. For tabular values, the approximating analytical dependences of low degrees were obtained. The results are presented in the form of tables and graphs. The thermodynamic consistency of the resulting equations is investigated. The simulation results of this work are compared with the equations of state for aluminum obtained by other authors.