摘要
为研究Fe-C-Mn合金薄带固态脱碳过程脱碳效果及Mn含量对C原子扩散作用,以1 mm厚的Fe-2.7%C-(5%,12%)Mn合金成分薄带为研究对象进行固态脱碳试验,利用lammps软件开展分子动力学模拟试验,探索Mn含量对C原子扩散的定性规律。结果表明:分子动力学模拟结果同固态脱碳试验结果计算扩散激活能基本一致,5%Mn在1223、1323 K和1363 K温度下脱碳试验结果和分子动力学模拟理论结果得到的C原子的扩散激活能分别为78.549 kJ·mol^(-1)和83.805 kJ·mol^(-1)。在1363 K进行固态脱碳试验,5%Mn和12%Mn合金薄带5~20 min主要限制性环节为内部碳扩散,12%Mn脱碳效果不如5%Mn,表明Mn含量增加对C扩散起到抑制作用。分子动力学模拟结果表明Mn含量增加会降低C原子扩散能力。
In order to study the decarburization effect of Fe-C-Mn alloy strips during solid-state decarburization and the diffusion effect of Mn content on C atoms,the solid-state decarburization test was carried out with Fe-2.7%C-(5%,12%)Mn alloy composition and 1 mm thickness strips.The molecular dynamics simulation test was carried out by using Lammps software to explore the qualitative law of Mn content on C atom diffusion.The results show that the diffusion activation energy calculated by molecular dynamics simulation is basically the same as that calculated by solid state decarburization experiment.The diffusion activation energy of C atom in 5%Mn at 1223 K,1323 K and 1363 K is 78.549 kJ·mol^(-1) and 83.805 kJ·mol^(-1),respectively.The solid-state decarburization test was carried out at 1363 K.The main limiting step of 5%Mn and 12%Mn alloy strips for 5~20 min was internal carbon diffusion.The decarburization effect of 12%Mn was not as good as that of 5%Mn,indicating that the increase of Mn content inhibited C diffusion.Molecular dynamics simulation results shows that the increase of Mn content reduces the diffusion ability of C atoms.
作者
祝广鹏
艾立群
洪陆阔
孟凡峻
闻莉
孙彩娇
Zhu Guangpeng;Ai Liqun;Hong Lukuo;Meng Fanjun;Wen Li;Sun Caijiao(Collegee of Metallurgy and Energy,North China University of Science and Technology,Tangshan 063210,Hebei,China;Hebei Iron and Steel Coating Anti-Corrosion Technology Innovation Center,Jingye Iron and Steel Co.,Ltd.,Shijiazhuang 050400,Hebei,China)
出处
《钢铁钒钛》
北大核心
2024年第6期127-132,共6页
Iron Steel Vanadium Titanium
基金
河北省自然科学基金(E2021209101,E2022209112)
中央引导地方科技发展资金项目(236Z1006G)
河北省高等学校科学技术研究项目(ZD2022125)
唐山市人才资助项目(A20220212)。
关键词
固态炼钢
气固反应
分子动力学
扩散系数
solid-state steelmaking
gas-solid reaction
molecular dynamics
diffusion coefficient
作者简介
祝广鹏,1997年出生,男,河北唐山人,硕士生,研究方向:炼钢新技术,E-mail:zgp1boy@163.com;通讯作者:洪陆阔,1986年出生,男,博士,研究方向:炼钢新技术与资源综合利用,E-mail:honglk@ncst.edu.cn。
