Interstitial Diffusion behavior in Aluminium-Uranium diluted alloy

RAMUNNI, VIVIANA PATRICIA; CYNTHIA SANDRA TREVISAN

Berkeley , California

Conferencia; International Conference on Multiscale Materials Modeling 2014; 2014

University of California Berkeley

We present a general theory based on non-equilibrium thermodynamics to obtain analytical expressions of the tracer diffusion coefficients in terms of the jump frequencies. We characterize the solute mobility behavior driven by interstitials in FCC diluted alloys using a classical molecular static technique (CMS). Specifically, we calculate the tracer self and solute diffusion coefficients for the Al-U diluted alloy, where the atomic interactions are described by semi-empirical EAM potentials.