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- W3206197435 abstract "An analytical bond-order potential (BOP) of Fe-Bi has been constructed and has been validated to have a better performance than the Fe-Bi potentials already published in the literature. Molecular dynamics simulations based on this BOP has been then conducted to investigate the ground-state properties of Bi, structural stability of the Fe-Bi binary system, and the effect of Bi on mechanical properties of BCC Fe. It is found that the present BOP could accurately predict the ground-state A7 structure of Bi and its structural parameters, and that a uniform amorphous structure of Fe100-xBixcould be formed when Bi is located in the composition range of 26 ⩽x< 70. In addition, simulations also reveal that the addition of a very small percentage of Bi would cause a considerable decrease of tensile strength and critical strain of BCC Fe upon uniaxial tensile loading. The obtained results are in nice agreement with similar experimental observations in the literature." @default.
- W3206197435 created "2021-10-25" @default.
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- W3206197435 date "2021-10-28" @default.
- W3206197435 modified "2023-09-27" @default.
- W3206197435 title "Atomistic modelling of the immiscible Fe–Bi system from a constructed bond order potential" @default.
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- W3206197435 doi "https://doi.org/10.1088/1361-648x/ac2e8e" @default.
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