Experimental and DFT study on cerium inclusions in clean steels

作     者：Xiangjun Liu Jichun Yang Fang Zhang Xiaoyang Fu Hongwei Li Changqiao Yang Xiangjun Liu;Jichun Yang;Fang Zhang;Xiaoyang Fu;Hongwei Li;Changqiao Yang

作者机构：School of Materials and MetallurgyInner Mongolia University of Science and TechnologyBaotou 014010China School of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijing 100083China National-Provincial Joint Engineering Research Center for Comprehensive Utilization of Symbiotic-Associated Mineral Waste Resources in Bayan OboInner Mongolia University of Science and TechnologyBaotou 014010China 

出 版 物：《Journal of Rare Earths》 (稀土学报（英文版）)

年 卷 期：2021年第39卷第4期

页      面：477-486页

核心收录：

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：Project supported by National Natural Science Foundation of China(51774190,51664044) Natural Science Foundation of Inner Mongolia,China(2018LH05005) 

主　　题：Thermodynamic analysis Inclusions modification First-principles calculation Thermal expansion coefficient Micro crack initiation mechanism Rare earths 

摘      要：To provide insights into deforming Ce-O-S-Al inclusions in steels and improving the mechanical properties,the evolution process of such harmful inclusions in clean steels was investigated by thermodynamic calculation,metallographic examination and first-principles calculation in this *** the tested IF steel,the thermodynamic analysis results are consistent with the calculated formation *** Ce addition,the inclusions are transformed from Al_(2)O_(3)and TiN-Al_(2)TiO_(5)-Al_(2)O_(3)to Ce2O_(3),Ce_(2)O_(2)S,CeAlO_(3),TiN-Al_(2)TiO_(5)-Ce_(2)O_(3)and TiN-Al_(2)TiO_(5)-Ce_(2)O_(2)S composite inclusions,which can be confirmed by metallographic *** elastic constants were calculated,and the bulk modulus,Young s modulus,shear modulus and Poisson s ratio were evaluated by the Voigt-Reuss-Hill(VRH)*** inclusions except Ce_(2)O_(3)show apparent ***,Al_(2)O_(3),Al_(2)TiO_(5)and CeAlO_(3)present much higher hardness than iron matrix,while the hardness of Ce2O_(3)or Ce_(2)O_(2)S is close to that of iron *** thermal expansion coefficients of Ce_(2)O_(3)and CeAlO_(3)are close to that of iron matrix,whereas,Ce_(2)O_(2)S inclusion has largely different thermal expansion coefficient from iron matrix and may deteriorate the steel performance at higher *** relatively small differences between Ce inclusions and iron matrix in terms of hardness,toughness,brittleness,and thermal expansion coefficient can explain the improvement of the mechanical properties of the tested steel.