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Instantaneous normal mode analysis of liquid Na

1996; American Institute of Physics; Volume: 105; Issue: 20 Linguagem: Inglês

10.1063/1.472758

1520-9032

Ten-Ming Wu, Shiow-Fon Tsay,

Material Dynamics and Properties

The instantaneous-normal-mode (INM) densities of states for liquid Na in four realistic thermodynamic states are obtained by molecular-dynamics simulation. The exponent functions derived from the INM densities of states are found to fit well with a binomial of frequency for the imaginary-frequency lobe and a three-term polynomial for the real-frequency lobe. Through the study of the size dependence for the participation ratios of INMs, we show that for both the real-frequency and the imaginary-frequency lobes, INMs of low frequencies are extended modes and INMs in the high-frequency end are localized modes. However, each lobe has a broad transition region in frequency from the extended to localized INMs.