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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.

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