Authors: SEYFETTİN DALGIÇ, MUTLU ÇOLAKOĞULLARI
Abstract: We present the dynamical properties of liquid Ag at different temperatures, using the Mishin and Doyoma-Kagure version of the Embedded Atom Model (EAM) potentials. They have been evaluated within the framework of the mode-coupling theory, using a self-consistent scheme that uses as input data only the static structure functions and the interatomic pair potentials of the liquid Ag. We have computed single-particle and collective time dependent properties of liquid Ag, and thereby calculated its self-diffusion constants. We have also discussed our results comparing with both experimental data and results of molecular dynamic simulation.
Keywords: Dynamic Properties, Self-diffusion.
Full Text: PDF