映射杂质相互作用能对溶质析出晶格气体模型中成核的影响
Mapping the influence of impurity interaction energy on nucleation in a lattice-gas model of solute precipitation
AI总结：
本文在二维伊辛晶格气体模型中系统研究了静态与动态杂质对溶质析出成核的影响，通过改变杂质-溶质与杂质-溶剂相互作用能，揭示了成核速率的变化规律，并绘制了杂质充当表面活性剂、惰性旁观者、体相稳定剂或异质成核位点的完整参数区域。
摘要：
我们研究了二维伊辛晶格气体模型中溶质析出的成核过程，该模型包含随机放置的静态和动态杂质。在保持其他相互作用能不变的情况下，改变杂质-溶质和杂质-溶剂相互作用能。对于静态杂质，当杂质-溶质与杂质-溶剂相互作用能之差增大时，我们观察到成核速率单调下降。当杂质密度较低时，成核速率随相互作用能差的增大而饱和至最小值；然而，对于高杂质密度，成核速率并不饱和。对于动态杂质，在低密度和高密度下均观察到类似行为。我们探索了广泛的对称和反对称杂质相互作用，并绘制了杂质充当表面活性剂、降低成核相表面能的参数区域。我们还表征了在不同相互作用能取值下观察到的不同成核机制，包括杂质充当惰性旁观者、体相稳定剂或聚集在一起为溶质团簇形成提供异质成核位点等额外机制。
英文摘要：
We study nucleation in the two dimensional Ising lattice-gas model of solute precipitation in the presence of randomly placed static and dynamic impurities. Impurity-solute and impurity-solvent interaction energies are varied whilst keeping other interaction energies fixed. In the case of static impurities, we observe a monotonic decrease in the nucleation rate when the difference between impurity-solute and impurity-solvent interaction energies is increased. The nucleation rate saturates to a minimum value with increasing interaction energy difference when the impurity density is low. However the nucleation rate does not saturate for high impurity densities. Similar behaviour is observed with dynamic impurities both at low and high densities. We explore a broad range of both symmetric and anti-symmetric interactions with impurities and map the regime for which the impurities act as a surfactant, decreasing the surface energy of the nucleating phase. We also characterise different nucleation regimes observed at different values of interaction energy. These include additional regimes where impurities play the role of inert-spectators, bulk-stabilizers or cluster together to create heterogeneous nucleation sites for solute clusters to form.
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