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典型文献
Effects of RE(La,Ce)on fcc-bcc martensitic transformation of iron via Bain transformation path
文献摘要:
The fundamental understanding of the effects of rare earth(RE)on the phase transformation of Fe-based alloys is essential in the development of advanced RE-containing high strength steels.In this work,we investigated the effects of La and Ce on the martensitic phase transformation of Fe in terms of the driving force and minimum energy path(MEP)using the first-principles calculations.The calculations of for-mation energy show that the RE substitution increases the stabilization of fcc-Fe and decreases that of bcc-Fe,thus decreasing the driving force of phase transformation.Meanwhile,the analysis based on the generalized solid-state nudged elastic band(G-SSNEB)method indicates that in the RE-containing sys-tems,an additional energy barrier appears when the phase transformation proceeds along the Bain transition path to c/a ratio of 1.14 in the FM state,which is associated with a sudden decrease in magnetization due to the hybridization between the orbits of the RE atoms and those of the nearest neighbor Fe atoms.The results of potential-energy surfaces(PES)confirm that magnetic ordering and lattice volume change simultaneously with the Bain transition,and in comparison to pure Fe,the vari-ation between the onset and the end structural volumes of the phase transformation is slight for the RE-containing Fe systems.
文献关键词:
作者姓名:
Haiyan Wang;Xueyun Gao;Lei Xing;Tingting Zhai;Meng Lv;Huiping Ren;Huihui Wei;Jianguo Zhi
作者机构:
School of Materials and Metallurgy,Inner Mongolia University of Science and Technology,Baotou 014010,China;Key Laboratory of Integrated Exploitation ofBayan Obo Multi-Metal Resource,Inner Mongolia University of Science and Technology,Baotou 014010,China;Inner Mongolia Baotou Steel Union Co.,Ltd.,Baotou 014010,China;Inner Mongolia Enterprise Key Laboratory of Rare Earth Steel Products Research and Development,Baotou 014010,China
引用格式:
[1]Haiyan Wang;Xueyun Gao;Lei Xing;Tingting Zhai;Meng Lv;Huiping Ren;Huihui Wei;Jianguo Zhi-.Effects of RE(La,Ce)on fcc-bcc martensitic transformation of iron via Bain transformation path)[J].稀土学报(英文版),2022(11):1812-1818
A类:
SSNEB
B类:
Effects,RE,La,Ce,fcc,bcc,martensitic,transformation,iron,via,Bain,path,fundamental,understanding,effects,rare,earth,phase,alloys,essential,development,advanced,containing,high,strength,steels,In,this,work,investigated,terms,driving,force,minimum,energy,MEP,using,first,principles,calculations,show,that,substitution,increases,stabilization,decreases,thus,decreasing,Meanwhile,analysis,generalized,solid,state,nudged,elastic,band,method,indicates,additional,barrier,appears,when,proceeds,along,transition,ratio,FM,which,associated,sudden,magnetization,due,hybridization,between,orbits,atoms,those,nearest,neighbor,results,potential,surfaces,PES,confirm,magnetic,ordering,lattice,change,simultaneously,comparison,pure,vari,onset,end,structural,volumes,slight,systems
AB值:
0.525829
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