Study of dynamical properties of Pd40Cu30Ni10P20 bulk metallic glass at various temperatures

Abstract

Abstract In the present article, we study the dynamical properties such as velocity auto correlation function (VACF), power spectrum (PS) and mean square displacement (MSD) of Pd40Cu30N10P20 bulk metallic glass (BMG) computed using the local model potential approach at different temperatures i.e. 296 K, 573 K, 659 K 923 K, respectively. Such computations are performed with the static harmonic well approximation theory at various temperatures. The effective interatomic potential for aforementioned BMG is calculated using well established model pseudopotential of Jani et al. along with Farid et al. (F) local field correlation functions (LFCF) for studying the screening dependency on the aforesaid properties. It is observed that negative dip in the velocity auto correlation function decreases as the temperature increases and in results of the power spectrum, the peak is shifted towards lower ω observed as temperature increases. The obtained result of MSD concludes that the vibrating component in the atomic motion decreases as increases the temperatures. The velocity auto correlation function displays the transferability of the local pseudopotential in the present case of Pd-based BMG.