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8 数据库中所有晶界的能量和部分固定取向差轴下晶界的能量与重位因子(Σ)的相关性

Fig.8 GB energies plotted against coincidence index (Σ) for all GBs in the dataset (a); the GB energies with relatively low Σ (i.e., Σ < 30) marked on the γ-θ curves for selected O of <100> (b), <211> (c), and <541> (d)