Interactions between alloy elements and oxygen at the steel-liquid LBE interface determined from first-principles
Wenyi Ding1, Zhizhong Jiang, Jingping Xin
1Key Laboratory of Neutronics and Radiation Safety, Institute of Nuclear Energy Safety Technology, Chinese Academy of Sciences, Hefei, Anhui 230031, China. mingjie.zheng@fds.org.cn.
Physical Chemistry Chemical Physics : PCCP
|November 14, 2019
Summary
This study reveals that nickel (Ni) from steel dissolves readily in lead bismuth eutectic (LBE). Adding aluminum (Al) or silicon (Si) can form protective oxides, mitigating corrosion in advanced nuclear reactors.
Area of Science:
- Materials Science
- Nuclear Engineering
- Physical Chemistry
Background:
- Lead bismuth eutectic (LBE) is a promising coolant for advanced nuclear reactors.
- High-temperature liquid LBE causes corrosion in steel containment materials.
- Understanding steel element diffusion and oxidation in LBE is crucial for reactor safety.
Purpose of the Study:
- Investigate the diffusion behavior of steel alloy elements (Fe, Ni, Cr) and oxygen (O) in liquid LBE.
- Determine the stability of various element-oxygen pairs in LBE.
- Provide data to understand steel dissolution and oxidation corrosion in LBE.
Main Methods:
- First-principles calculations were extensively employed.
- Diffusion rates of Bi, Pb, Fe, Cr, and Ni in LBE were simulated.
- Formation energies and pair distances for O with Fe, Cr, Ni, Al, and Si were calculated.
Main Results:
- Bismuth (Bi) diffuses slightly faster than lead (Pb) in LBE.
- Nickel (Ni) from steel exhibits the highest dissolution tendency into LBE.
- Al-O and Si-O pairs are more stable than Fe-O/Cr-O pairs, forming protective oxides.
- Ni-O pairs in LBE are prone to decomposition over time.
Conclusions:
- The diffusion and dissolution behavior of steel elements in LBE are quantified.
- Aluminum and silicon addition can enhance steel's corrosion resistance in LBE by forming stable oxides.
- This research provides critical data for mitigating liquid metal corrosion in nuclear systems.
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