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The dynamic structure factor of the 7Li0.61Na0.39 liquid alloy at T=590 K hasbeen calculated by ab initio molecular dynamics simulations using 2000particles. For small wavevectors, 0.15 <= q/A-1 <= 1.6, we find clear sidepeaks in the partial dynamic structure factors. Whereas for q <= 0.25 A-1 thepeak frequencies correspond to the hydrodynamic sound dispersion of the binaryalloy, for greater q values we obtain two modes with phase velocities above andbelow the hydrodynamic sound. A smooth transition between hydrodynamic soundand the two collective modes is shown to take place in the range 0.25 <= q/A-1<= 0.35. The mass ratio in this system, mNa/mLi = 3, is the smallest one so farfor which the fast mode is observed. We also predict that inelastic X-rayscattering experiments would be able to detect the slow mode, and explain whythe inelastic neutron scattering experiments [P.R. Gartyrell-Mills et al,Physica B 154, 1 (1988)] do not show any of these modes.Comment: Submitted to Phys. Rev. Let

Dynamic structure in a molten binary alloy byab initiomolecular dynamics: Crossover from hydrodynamics to the microscopic regime