Investigasi Metode Penghambatan Kerusakan dan Inhibitor Korosi serta Pemodelan KeramikBaja Paduan yang Cocok Untuk Aplikasi Dalam Reaktor Cepat Massa Depan Berpendingin Timbal-Bismuth Cair ( Tahun Kedua)

Abstract

Transport properties of materials as diffusion coefficient is important for many applications of interest as in nuclear reactors design. However not all substances of interest have been completed with diffusion coefficient data. The theoretical prediction than can be used to know the values, and the molecular dynamics (MD) is one of powerfull methods. In this MD method, the intermolecular forces play a crucial role in understanding phase behavior and thermodynamic properties of materials. The Lennard-Jones interaction force (potential) has been widely used in the study of thermodynamics properties of substances. Even this potential has been widely used for predictions, but for metal systems this is not recommended for accurate calculation. The Morse potential may be better for metal systems and also Buckingham potential In this system we want to investigate the diffusion of iron in liquid (lead) matal using MD method via Green-Kubo formula for three above potentials. We want to know for high temperature simulation as in reactor nuclear operation, how the performance of potentials for iron diffusion calculation in liquid lead. Knowing this performance will be important for studying the liquid metal properties and related phenomena.