Instantaneous normal mode analysis of binary liquid ArKr mixtures

✍ Scribed by Hubert Stassen; Zygmunt E. Gburski

• Book ID: 103032198
• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 684 KB
• Volume: 217
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(93)e1390-3

✦ Synopsis

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(w) is obtained for a liquid mixture. The frequency distributions D(u) for stable (librational) and unstable modes are calculated via numerical eigenanalysis of the force constant matrices appropriate to an ensemble of liquid Ar-Rr configurations, which are generated by molecular dynamics computer simulations. The dependence of the shape of D(w) on thermodynamic states of Ar-Rr mixtures over a wide range of densities, temperatures and concentrations is presented. Moreover, the second and fourth moments of D( w) are reported for each studied thermodynamic state.