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Hermawan K. Dipojono
Engineering Physics Research Division, Institut Teknologi Bandung, Indonesia
Astronomy Computer Science & IT Earth & Planetary Sciences Electrical & Electronics Engineering Energy Engineering

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Preliminary Study of Steels Corrosion Phenomena in Liquid Lead-Bismuth using Molecular Dynamics Methods Alan Maulana; Zaki Su'ud; Hermawan K. Dipojono; Khairurrijal Khairurrijal
Indonesian Journal of Physics Vol 18 No 1 (2007): Vol. 18 No. 1, January 2007
Publisher : Institut Teknologi Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (110.045 KB)

Abstract

One of the prospective coolant material which can be used in the forth generation nuclear reactor is a liquid lead-bismuth. This coolant has inherent safety capability, economical, and able to burn their own nuclear waste. The problem of using this coolant is corrosion phenomena of steel occurred in the interaction with liquid lead-bismuth especially at high temperatures. Corrosion in this study is assumed as diffusion phenomena of leads or bismuths into the surface of steel. This phenomenon have been studied by molecular dynamic methods. As the first step to this investigation, the molecular dynamic program called Moldy has been used to simulate pure iron and lead system. The molecular dynamic simulation result of pure Fe system at 0 K showed that the peaks positions of radial distribution function is in a good agreement with the result from experiment. The deviation of the peaks position resulted from simulation and experiment is about 0.5%. The simulation result of Pb system showed no significant different with the result from experiment. The simulation also shows the broadening of the curves of radial distribution function and lowering the intensity at high temperature. These results indicate that the atomic positions of the system are distributed randomly.
Corrosion Study of Steels In Liquid Lead-Bismuth Cooled Nuclear Reactors by Computer Simulation using Moldy Code Alan Maulana; Zaki Su'ud; Hermawan K. Dipojono; Khairurrijal Khairurrijal
Indonesian Journal of Physics Vol 18 No 2 (2007): Vol. 18 No. 2 April 2007
Publisher : Institut Teknologi Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (493.065 KB) | DOI: 10.5614/itb.ijp.2007.18.2.3

Abstract

The corrosion of steel in liquid lead-bismuth has been studied by computer simulation using MOLDY code. The diffusion processes among atoms are assumed to be the key issues to understand the corrosion mechanism microscopically. In order to simulate these diffusion processes, the inter-atomic potential between Fe-Fe, Pb-Pb, Bi-Bi, Cr-Cr and Ni-Ni are assumed to obey the Lennard-Jones potential. The Lennard-Jones potential parameters of above pairs of atom have been derived by fitting the data available in the literature with the Lennard-Jones equation. The initial positions of the system are taken from the crystal structures data including the cell parameters. The simulation cell was a box with the volume 60x30x30 Å3 that were filled by 2864 atoms. Nickel and chromium atoms were substituted into Fe crystal with the percentage 10% and 16 % respectively to construct the systems of SS-316 which contacted by 50%Pb-50%Bi. The molecular dynamic simulations have been carried out for surface interaction between steel crystal with liquid lead-bismuth for several temperatures. After done the above simulation, the simulation is then tried by using 45%Pb-55%Bi (Pb-Bi Eutectic). The results of molecular dynamic simulations for several temperatures and the effect of variation of Pb and Bi above will be presented in this paper.
Co-Authors Alan Maulana Alan Maulana Khairurrijal Khairurrijal Zaki Suud