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利用固体与分子经验电子理论 (EET)对Fe3 Al的两种晶体结构 :D0 3 和B2的滑移能进行了计算 ,结果表明B2结构在室温下具有较低的滑移能 ,在较小的能量作用下 ,B2结构优先滑移 ,这预示B2结构具有较好的塑性。据此对D0 3 结构的Fe3 Al进行有序度截留 (淬火处理 )研究。截留后B2结构的Fe3 Al材料的加工性能发生了显著变化 ,抗压强度和硬度下降。本文对比研究了D0 3 和B2型Fe3 Al价电子结构及其力学性能的关系 ,发现价电子结构与力学性能之间存在很好的相关性。
Using the solid and molecular empirical electron theory (EET), the slip energy of two crystal structures of Fe3Al: D0 3 and B2 was calculated. The results show that the B2 structure has lower slip energy at room temperature, Under the action of energy, the B2 structure preferentially slips, which indicates that the B2 structure has good plasticity. According to this D0 3 structure of Fe3 Al ordered degree of interception (quenching) research. After the interception of B2 structure of Fe3 Al material processing performance has undergone significant changes in compressive strength and hardness decreased. In this paper, the relationship between valence electron structure and mechanical properties of D0 3 and B2 Fe3 Al was studied. It was found that there was a good correlation between valence electron structure and mechanical properties.