THE THERMODYNAMIC AND LATTICE VIBRATIONAL PROPERTIES OF CuPd ALLOY UNDER HYDROSTATIC PRESSURE

Year 2019, Volume: 20 Issue: 2, 143 - 152, 01.06.2019

Sefa Kazanç

https://doi.org/10.18038/aubtda.438120

Abstract

In this paper, the effects of hydrostatic pressure on the thermodynamic and vibrational properties such as bulk modulus, second order elastic constants, acoustic phonon frequencies, density of state (DOS) and grüneisen parameters (γ) of Cu-%20Pd alloys was examined by using the molecular dynamics (MD) simulation. For modelling of interaction between atoms in the model system were used Quantum Sutton-Chen (Q-SC) potential function. The simulation results that obtained from this study were compared with the experimental and theoretical results in the literature.

Keywords

molecular dynamics, phonon spectra, Quantum Sutton-Chen, grüneisen parameter

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