Ion-ion dynamic structure factor, acoustic modes, and equation of state of two-temperature warm dense aluminum

Physical Review. E
L HarbourL J Lewis

Abstract

The ion-ion dynamical structure factor and the equation of state of warm dense aluminum in a two-temperature quasiequilibrium state, with the electron temperature higher than the ion temperature, are investigated using molecular-dynamics simulations based on ion-ion pair potentials constructed from a neutral pseudoatom model. Such pair potentials based on density functional theory are parameter-free and depend directly on the electron temperature and indirectly on the ion temperature, enabling efficient computation of two-temperature properties. Comparison with ab initio simulations and with other average-atom calculations for equilibrium aluminum shows good agreement, justifying a study of quasiequilibrium situations. Analyzing the van Hove function, we find that ion-ion correlations vanish in a time significantly smaller than the electron-ion relaxation time so that dynamical properties have a physical meaning for the quasiequilibrium state. A significant increase in the speed of sound is predicted from the modification of the dispersion relation of the ion acoustic mode as the electron temperature is increased. The two-temperature equation of state including the free energy, internal energy, and pressure is also presented.

References

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Citations

Nov 19, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Qianrui LiuMohan Chen
Aug 29, 2020·Physical Review Letters·M W C Dharma-WardanaRichard C Remsing

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