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2 晶界能库中部分取向差轴( O )下晶界的能量(γ)随取向差角(θ)的变化

Fig.2 Variation of GB energies (γ) with misorientation angle (θ) for GBs with some selected misorientation axes ( O ) in the energy dataset