Figure 1: Static and dynamic structure factors of warm dense aluminium. | Nature Communications

Figure 1: Static and dynamic structure factors of warm dense aluminium.

From: A strong diffusive ion mode in dense ionized matter predicted by Langevin dynamics

Figure 1

(a) The ion–ion static structure factor. (b) The ion–ion dynamic structure factor at k=0.51 . The structure factors (Te=Ti=3.5 eV and ρ=5.2 g cm−3), are calculated from orbital-free density functional theory (OF-DFT) simulations in a canonical ensemble with a Nosé–Hoover, Langevin and Gaussian thermostat; The Langevin thermostat uses a collision induced friction, σ, of 6 × 1013 s−1. For comparison, results from a Kohn–Sham density functional theory (KS-DFT) simulation and a fully classical simulation using a screened Coulomb potential with an added short-range repulsion, both in a canonical ensemble with a Nosé–Hoover thermostat (dotted) are also included.

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