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Dephosphorization Mechanism in Molten High Manganese Steel

SSRN, ISSN: 1556-5068
2023
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Article Description

High manganese steel has excellent low-temperature properties and can replace expensive 9Ni steel as the main body material of LNG ship storage tanks. This study investigates the dephosphorization mechanism in molten high manganese steel through calculations and experiments. Molecular dynamics calculations show that in ferromanganese melts, P atoms usually form a polyhedral structure with the surrounding 8-9 Fe atoms, and then are surrounded by a network of Mn and Fe atoms to form larger clusters. This complex Fe-Mn-P cluster is highly resistant to thermal diffusion of P atoms. Under these conditions, the atomic orbitals of the Fe-Mn-P cluster were analyzed by first principles calculation. Found that the hybridization of P-3p and Fe-4s orbitals forms covalent bonds, and the bonding state between Fe-Mn atoms contributed by the hybridization of Fe-4s and Mn-4s orbitals, Fe-4s and Mn-4s orbitals, which lead to easier bonding between Fe-P and Fe-Mn atoms to form such atomic clusters. The results of high-temperature experiments show that as the Mn content in the molten steel increases from 0 to 20%, the dephosphorization effect will gradually deteriorate. Combining experiments and calculation results, the removal of P atoms is always accompanied by the preferential destruction of Fe-P polyhedrons and the oxidation of Mn atoms in the Fe-Mn-P system.

Bibliographic Details

Li-jun Wang; Wenjie Yang; Hongbiao Dong

Elsevier BV

Multidisciplinary; high manganese steel; Microstructure; cluster; atomic orbital; dephosphorization mechanism.

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