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

Authors : Sefa KAZANÇ

Pages : 143-152

Doi:10.18038/aubtda.438120

View : 16 | Download : 9

Publication Date : 2019-06-01

Article Type : Research Paper

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 insert ignore into journalissuearticles values(DOS); and grüneisen parameters insert ignore into journalissuearticles values(γ); of Cu-%20Pd alloys was examined by using the molecular dynamics insert ignore into journalissuearticles values(MD); simulation. For modelling of interaction between atoms in the model system were used Quantum Sutton-Chen insert ignore into journalissuearticles values(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