从碑刻资料看清代后期西北地方官府的“善后”工作——以舟曲《善后条规之碑》为例

清代舟曲的《善后条规之碑》是西北地区现存为数不多的反映地方官府"善后"工作的碑刻。通过对碑文的解读,我们可以了解该碑刊刻的历史背景,较为清楚地认识到清代后期地方官府在"善后"事宜中所采取的措施及起到的效果。碑刻还记载了舟曲地区书院、义学的恢复和发展情况,这一文献记载可以补充地方史志的不足。     

H和B原子在有序态Ni3Fe表面的吸附

采用基于密度泛函理论(density functional theory,DFT)的第一性原理方法,对H和B原子在有序态Ni3Fe合金(111)表面的吸附进行研究.结果表明,B原子在有序态Ni3Fe合金(111)表面的吸附能远低于H原子,从而更容易被有序态Ni3Fe合金(111)表面吸附,形成稳定结构.这导致H原子在有序态Ni3Fe合金表面的吸附机会大大减少,降低了有序态Ni3Fe合金在氢气中的环境氢脆.进一步的电子结构分析表明,H原子的表面吸附能高于B原子是由于H原子在有序态Ni3Fe合金(111)表面吸附时,H原子的反键态被推到了费米面以上所引起的.     

Influence of Ni on Cu precipitation in Fe Cu Ni ternary alloy by an atomic study

The early aging Cu precipitations in Fe-3%Cu and Fe-3%Cu-4%Ni ternary alloys are investigated by molecular dynamics （MD） simulations. The results show that the average size of Cu clusters in Fe-3%Cu-4%Ni alloy is larger than that in Fe-3%Cu alloy. The diffusion of Cu is accelerated by Ni according to the mean square displacement （MSD）. Furthermore, the whole formation process of Cu-rich clusters is analyzed in detail, and it is found that the presence of Ni promotes small Cu-rich clusters to be combined into big ones. Ni atoms prefer to stay at the combination positions of small clusters energetically due to a large number of the first nearest neighbor Cu-Ni interactions, which is verified by first-principles calculations based on density functional theory （DFT）.