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

Further results are given on the application of harmonic normal mode a nalysis to liquid state dynamics. For the first time, the configuratio n-averaged of phonon states D(omega) is obtained for a liquid mixture. The frequency distributions D(omega) for stable (librational) and uns table modes are calculated via numerical eigenanalysis of the force co nstant matrices appropriate to an ensemble of liquid Ar-Kr configurati ons, which are generated by molecular dynamics computer simulations. T he dependence of the shape of D(omega) on thermodynamic states of Ar-K r mixtures over a wide range of densities, temperatures and concentrat ions is presented. Moreover, the second and fourth moments of D(omega) are reported for each studied thermodynamic state.