- مبلغ: ۸۶,۰۰۰ تومان
- مبلغ: ۹۱,۰۰۰ تومان
The Fe(110)-Li and Fe(111)-Li solid-liquid interfaces are investigated using molecular dynamics simulations (MD), and the results are detailedly compared with each other as well as with our previous findings obtained from the Fe(001)-Li solid-liquid interface. Due to the different intrinsic surface properties of the Fe substrates, the interface properties show remarkable orientation dependences. As for the Fe substrates, the three Fe surfaces suffer different impacts from the liquid Li on their relaxation behavior. The fine-scale density profiles suggest that the liquid Li atoms near the Fe(110)-Li solid-liquid interface are dramatically layered along the interface normal and the layers’ two-dimensional density maps indicate the layers present high degree of lateral order, which are very similar to the results acquired from the Fe(001)-Li solid-liquid interface. Interestingly, these phenomena observed in the Fe(110)-Li solid-liquid interface do not reproduce in the Fe(111)-Li solid-liquid interface, but some distinct Li layers are detected along the  direction at 500 K. In addition, the Li atoms near the Fe(111)-Li solid-liquid interface diffuse faster and invade into the Fe substrate easier than those near the other two interfaces. These orientation-dependent characteristics are well explained in terms of the different surface properties of the Fe substrates.