Molecular dynamics simulation to studying the effect of molybdenum in stainless steel on the corrosion resistance by lead-bismuth.

The study of characteristic material structure is the important issue to understand the phenomena of corrosion. Molecular dynamic simulation has been carried out for studying the surface interaction between stainless steel and coolant material Lead-Bismuth (Pb-Bi) in several temperatures. The material with complex molecular interactions has a long simulation process that needs parallel processing in cluster system. MOLDY is an open source program which can be used to mono atomic or polyatomic in cluster computer. This paper will discuss the effect of Molybdenum (Mo) on the corrosion with Mo 2%-3% and Mo 3%-4% in several temperatures. The simulation is done between crystals steel Fe 71%, Ni 10% and Cr 16% with Mo 2%-3% and Fe 70%, Ni 10%, Cr 16% with Mo 3%-4%. The effect of increasing Mo content in crystal steel for resistance corrosion will be presented in this paper. The results of this simulation show that the phenomena of Mo with difference content on the corrosion in several temperatures. That can be used to identify whether the system has resistance corrosion or not. This simulation obtain that the surface of stainless steel by lead-bismuth Pb-Bi with Mo 3%-4% content has less corrosion than the surface of stainless steel with Mo 2%-3% content. This phenomenon has the same with the statement from experiment that the stainless steel with Mo 3%-4% content has corrosion resistance than the stainless steel with Mo 2%-3% content. [ABSTRACT FROM AUTHOR]