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对材料的相结构及缺陷的原子排布观察已在几何模型的基础上深入到物理本质,如相结构的稳定性及界面原子弛豫等．本文以比重轻、强度高的ＴｉＡｌ金属间化合物中的Ｔｉ２Ａｌ相及晶界结构为例,说明原子像观察与原子尺度的计算模拟可以提供更全面准确的结构信息．
The observation of the atomic arrangement of the phase structure and the defects of the material has been based on the geometric model and has been further studied to the physical essence, such as the stability of the phase structure and the relaxation of the interface atoms. In this paper, the Ti2Al phase and the grain boundary structure in the TiAl intermetallic compound with light and high intensity are taken as examples to show that the atomic image observation and atomic scale calculation simulation can provide more comprehensive and accurate structural information.