Abstract
The temperature variation of the longitudinal and transverse phonon frequencies of liquid sodium is investigated using the approach by Hubbard Beeby. The molecular dynamics simulation is used to generate the pair correlation function of liquid sodium at various temperatures viz. T = 378 K, 473 K, 573 K, and 723 K, with 672 particles. To describe the electron-ion interaction our own model potential is employed along with a recent local field correction function due to Sarkar et al. To evaluate the parameter of the potential the zero pressure condition has been applied. The present results of g(r) are in good agreement with available experimental findings. The computed g(r) are used to investigate the temperature variation of the collective dynamics of liquid sodium. The amplitudes of the peaks of the longitudinal and transverse frequencies are suppressed while the width of the propagation gap for the transverse sound waves decreases with an increase in temperature. The computed longitudinal and transverse sound velocities at these temperatures are found to be
Highlights
A considerable effort has been made over the last four decades to understand the properties of matter through simulations [1,2,3]
Several attempts have been made by different workers [6,7,8,9,10,11,12,13,14,15] to study the pair correlation function for different metals
In this paper we report a molecular dynamics based study of structure and collective dynamics sodium for various atomic volumes of 277.61 a30 at temperature 378 K, 285.29a30 at temperature 473 K, 292.42a30 at temperature 573 K and 304.15a30 at temperature 723 K
Summary
A considerable effort has been made over the last four decades to understand the properties of matter through simulations [1,2,3]. Alkali metals are generally considered to be the simplest metals since they possess a single electron in their external shell They are still the objects of great interest [4,5] for different reasons. Several attempts have been made by different workers [6,7,8,9,10,11,12,13,14,15] to study the pair correlation function for different metals. A more recent and advanced local-field correction function due to Sarkar et al [18] is used in the present study in order to incorporate the exchange and correlation effects. C are well defined in reference [18]
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