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4 晶界能库中所有晶界的能量随偏转角(α)的变化

Fig.4 GB energies plotted against disorientation angle (α) for all GBs in the dataset (The red curve was obtained by least-squares fitting to the discrete GB energies)