Segregation behavior and embrittling effect of lanthanide La, Ce, Pr, and Nd at Σ3(111) tilt symmetric grain boundary in <i>α</i>-Fe<xref rid="cpb_28_12_126802fn1" ref-type="fn">*</xref><fn id="cpb_28_12_126802fn1"><label>*</label><p>Project supported by the National Natural Science Foundation of China (Grant No. U1867217), the National Science and Technology Major Project of the Ministry of Science and Technology of China (Grant No. 2019ZX06004009), and the China National Nuclear Corporation Centralized Research and Development Project (Grant No. FY18000120).</p></fn>

Segregation behavior and embrittling effect of lanthanide La, Ce, Pr, and Nd at Σ3(111) tilt symmetric grain boundary in α-Fe**

Project supported by the National Natural Science Foundation of China (Grant No. U1867217), the National Science and Technology Major Project of the Ministry of Science and Technology of China (Grant No. 2019ZX06004009), and the China National Nuclear Corporation Centralized Research and Development Project (Grant No. FY18000120).

Cao Jinli^{1, 2}, Yang Wen¹, He Xinfu^{1, †}

(a) The GB formation energy for cells containing different numbers of atomic layers from 17 to 49. (b) Relaxed interlayer distance in the Fe grains near the boundary. The (111) interlayer distance in the bulk truncated Fe is 0.82 Å. (c) Magnetic moment on Fe atoms at various layers in the vicinity of the GB (cf. Fig. 1). Horizontal dash line marks the magnetic moment of the bulk Fe.