INSTANTANEOUS NORMAL-MODE ANALYSIS OF BINARY-LIQUID AR-KR MIXTURES

Further results are given on the application of harmonic normal mode analysis to liquid state dynamics. For the first time, the configuration-averaged of phonon states D(omega) is obtained for a liquid mixture. The frequency distributions D(omega) for stable (librational) and unstable modes are calculated via numerical eigenanalysis of the force constant matrices appropriate to an ensemble of liquid Ar-Kr configurations, which are generated by molecular dynamics computer simulations. The dependence of the shape of D(omega) on thermodynamic states of Ar-Kr mixtures over a wide range of densities, temperatures and concentrations is presented. Moreover, the second and fourth moments of D(omega) are reported for each studied thermodynamic state.