Journal Published Online: 04 October 2022
Volume 11, Issue 1

Effect of Silicon Element on the Solid Solubility of Carbon in α-Fe

CODEN: MPCACD

Abstract

The VASP (Vienna Ab initio Simulation Package) software package developed by the Hafner team at the University of Vienna was used to calculate the bonding involving the element in the system when silicon is added to a complex of α-Fe and carbon(α-Fe(C)). The interaction energies of silicon with carbon elements in their different neighbor locations in the matrix of α-Fe(C) matrix are obtained, and the electronic structure of a complex composed of α-Fe(C) and silicon(α-Fe(C)-Si) and the interaction between silicon and carbon in the α-Fe matrix are further analyzed. The influence of silicon on the solid solubility of carbon in the α-Fe matrix is analyzed and calculated on this basis. The results show that after a silicon atom is added to α-Fe(C), the silicon atom and iron atoms gain electrons, the carbon atom loses electrons, and bonds among the three are formed. The bonding electrons are mainly provided by iron atoms and the silicon atom. The atomic fraction of carbon element in the range of interaction with the silicon element in the α-Fe(C)-Si system is higher than the average atomic fraction of carbon in the α-Fe(C) system without the silicon element. The results show that the solid solubility of the carbon element in α-Fe increases after the silicon element is added.

Author Information

Wang, Tiemin
Shougang Jingtang Steel United Co., Ltd., Tangshan, Hebei Province, China
Zhang, Lei
School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing, China
Su, Fuyong
School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing, China
Wen, Zhi
School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing, China
Tao, Shuming
Baoshan Iron & Steel Co., Ltd., Shanghai, China
Pages: 11
Price: $25.00
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Stock #: MPC20220048
ISSN: 2379-1365
DOI: 10.1520/MPC20220048