Corrosion related properties of iron (100) surface in liquid lead and bismuth environments: A first-principles study

Abstract

Abstract Corrosion of steels in liquid metal lead (Pb) and bismuth (Bi) is a critical challenge in the development of accelerator driven systems (ADS). Using a first-principles method with slab model, we theoretically investigate the interaction between Pb (Bi) atom and the iron (Fe) (100) surface to assess fundamental corrosion properties. Our investigation demonstrates that both Pb and Bi atoms favorably adsorb on the (100) surface. Such adsorption decreases the energy required for the dissociation of an Fe atom from the surface, enhancing the dissolution tendency significantly. The segregation of six common alloying elements (Cr, Al, Mn, Ni, Nb and Si) to the surface and their impact on the corrosion properties are also considered. The present results reveal that Si seems to have relative good performance to stable the surface and alleviate the dissolving trend caused by Pb and Bi.

Keywords: corrosion property interface interaction alloying atom first-principles

Received: 06 September 2013
Revised: 23 October 2013
Published: 07 November 2013

Fund: State Key Laboratory of Advanced Technology for Materials Synthesis and Processing (Wuhan University of Technology);Department of Science and Technology;National key Basic Research Program of China

Corresponding Authors: changsong Liu

Cite this article:

Chi Song Dong-Dong Li Yi-Chun Xu Bicai Pan changsong Liu Corrosion related properties of iron (100) surface in liquid lead and bismuth environments: A first-principles study Chin. Phys. B 0

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