Figure 1

Calculated and experimental enthalpies of liquid Al. The calculated enthalpies were obtained from molecular dynamics simulations, using the interactions of Ercolessi and Adams (Ref. 17) (dashed line) and Mei and Davenport (Ref. 18) (dotted-dashed line). The experimental data were taken from Ref. 7 (solid line). The calculated enthalpies are relative to a reference state at the temperature $T=300\mathrm{K}$ and the pressure $P=0\mathrm{Pa}$, and the experimental enthalpy is relative to the reference state at $T=298\mathrm{K}$ and $P=0.3\mathrm{GPa}$. The electronic contribution $\gamma T^2∕2$ to the enthalpy has been added to our simulation results (see the text).Reuse & Permissions

Figure 2

Heat capacities of liquid Al at constant pressure, $c_P$, at constant volume, $c_V$, and at fixed volume, $c_{V_0}$, from molecular dynamics simulations using the interactions of Ercolessi and Adams (Ref. 17) and Mei and Davenport (Ref. 18). The solid line is a guide to the eye. The curves represent $c_P$ (엯), $c_V$ (◻), and $c_{V_0}$ (◇) for the Ercolessi and Adams interaction and $c_P$ (×), $c_V$ (▾), and $c_{V_0}$ (▴) for the Mei and Davenport interaction. The errors arising from statistical fluctuations in the simulations are smaller than the width of the symbols.Reuse & Permissions

Figure 3

Isothermal bulk modulus in the liquid phase of Al, from molecular dynamics simulations using the interactions of Ercolessi and Adams (Ref. 17) (solid line) and Mei and Davenport (Ref. 18) (dashed line). $K_T$ is given in a temperature interval from about the melting temperature in the superheated state (see the text) to the boiling point.Reuse & Permissions

Figure 4

Fixed volume heat capacity from molecular dynamics simulations using the interactions of Ercolessi and Adams (Ref. 17) (solid line) and Mei and Davenport (Ref. 18) (dashed line). The simulations were terminated at the temperatures where large fluctuations could be observed.Reuse & Permissions