基于原子模拟的金属Fe晶界能与晶界取向相关性分析

黄曾鑫, 蒋逸航, 赖春明, 吴庆捷, 刘大海, 杨亮

Analysis of the Correlation Between the Energy and Crystallographic Orientation of Grain Boundaries in Fe Based on Atomistic Simulations

HUANG Zengxin, JIANG Yihang, LAI Chunming, WU Qingjie, LIU Dahai, YANG Liang

图5 以不同形式呈现的数据库中晶界能随取向差轴的变化

Fig.5 Variation of GB energy with O presented in the <hkl> orientation space (a) and standard stereographic triangle (b) (Each data point stands for the average energy of GBs with a common O in the energy dataset. To better exhibit the O -dependency of GB energy, the energies of GBs with six axes located near the three corners of triangle were additionally calculated)