Structural and dynamical properties of liquid Pd-Ag alloys

Kart H., Tomak M., Uludogan M., Cagin T.

INTERNATIONAL JOURNAL OF MODERN PHYSICS B, vol.18, no.16, pp.2257-2269, 2004 (SCI-Expanded) identifier identifier


Structural and dynamical properties of Pd, Ag pure liquid metals and especially PdxAg1-x, alloys are studied by the molecular dynamics simulation. The effects of temperature and concentration on the liquid properties of PdxAg1-x, are analyzed. Sutton-Chen (SC) and Quantum Sutton-Chen (Q-SC) many-body potentials are used as interatomic interactions. The calculated diffusion constants and viscosities are in good agreement with the available experimental data and theoretical calculations. The coefficients of Arrhenius equation are also presented to calculate the self-diffusion coefficient and shear viscosity of Pd-Ag alloys at the desired temperature and concentration. We have shown that Q-SC potential parameters are more reliable in determining physical properties of metals and their alloys studied in this work.