Author/Authors :
kazanç, sefa fırat üniversitesi - eğitim fakültesi - matematik ve fen bilimleri eğitimi bölümü, ELAZIĞ, turkey
Title Of Article :
Molecular Dynamics Simulation of the Phonon Spectrum and Thermoelastic Properties of Cu3Pd Alloy
Abstract :
In this paper, the acoustic phonon frequencies and thermoelastic properties such as linear thermal expansion coefficient, bulk modulus, elastic constants of Cu3Pd order alloys was calculated by using the molecular dynamics simulation. Physical interactions among atoms in the Cu3Pd model alloy system were modelled using Sutton-Chen (SC) and Quantum Sutton-Chen (Q-SC) type of the Embedded Atom Method (EAM) based on many-body interactions. The effects of temperature on the physical properties of model alloy system was examined. The simulation results that obtained from this study was compared with the available experimental data and other theoretical calculations. The Quantum Sutton-Chen function was found to produce values closer to the experimental results.
NaturalLanguageKeyword :
Molecular dynamics , Phonon spectra , Quantum Sutton , Chen , Cu3Pd alloy.
JournalTitle :
Erciyes University Journal Of The Institute Of Science and Technology
