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Atomistic Modelling of the Pb-Bi System from a Constructed Bond Order Potential

J. L. Hu, Z. Liu, D. K. Peng,Z. . B. Liang,H. R. Gong,L. Y. Yang,C. P. Liang

JOURNAL OF NUCLEAR MATERIALS（2024）

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Abstract
•A new and effective Pb-Bi bond-order-potential (BOP) was constructed.•BOP model could accurately describe various properties of binary Pb-Bi system.•Formation, diffusion, viscosity of lead-bismuth eutectic melt was successfully predicted.
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Key words
Pb-Bi,Bond-order potential,Heat of formation,Dynamic properties,Molecular dynamic simulation
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