CORROSION STUDY OF STEELS IN LIQUID LEAD-BISMUTH COOLED NUCLEAR REACTORS USING MOLECULAR DYNAMICS METHOD

• Main Author: MAULANA (NIM 30203002), ALAN
• Format: Dissertations
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/9861
• Institution: Institut Teknologi Bandung

Pb-Bi cooled Nuclear reactors are among the most prospective Generation-IV nuclear reactors which have inherent safety capability, economical, and able to burn their own nuclear waste. However, the steel corrosion in the interaction with liquid lead-bismuth is still being a problem to be solved. Therefore this dissertation investigates steel corrosion in liquid Pb-Bi problem using molecular dynamic program called Moldy which used to simulate the interaction between surfaces of Fe system with Pb-Bi. This work is an effort to understand the corrosion phenomena of steels in liquid Pb-Bi at high temperature.<p>Steels and liquid Pb-Bi are important materials in the nuclear fast breeder reactor. Many investigation of steel corrosion phenomena in liquid Lead-Bismuth have been done experimentally, but the interaction mechanism of this material has not been understood yet. Therefore inter-atomic interaction between atoms which involved in the system will be studied. The diffusion processes among atoms are the key issues to understand the corrosion mechanism microscopically. In this simulation interatomic potential between Pb-Pb, Bi-Bi, Fe-Fe, Cr-Cr and Ni-Ni are assumed to follow a Lennard-Jones potential model. The Lennard-Jones potential parameters have been derived by fitting the data available in the literature. Beeman algorithm had been used to calculate the equation of motion.<p>Cell List method had also been involved in order to accelerate the calculation and execution of the program. The structure of simulation cell for Fe and Pb system are BCC (Body Center Cubic) and FCC (Face Center Cubic) respectively. The simulation cells of Fe and Pb were filled by 2000 atoms and 864 atoms, correspondingly. Some of impurities were substituted into the simulation cell above to construct a model of SS 316 (stainless steel 316) and Pb-Bi eutectic. The initial velocity was generated randomly and the temperature system was set using Nose-Hoover thermostat. <br />