ABSTRACT The precipitation in ordered and coherent Al3Li clusters embedded in concentrated AlLi alloys is investigated using Atomistic Kinematic Monte Carlo (AKMC) simulations. The free energy of clusters is extracted from simulations as a function of their size and monitored from the initial disordered state until coarsening. All components of the cluster free energy are found to vary linearly with the chemical potential of monomers, a property that it is easy to incorporate into classical precipitation models.

中文翻译：

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浓缩二元合金析出过程中团簇自由能的演变

摘要 使用原子运动蒙特卡罗 (AKMC) 模拟研究了嵌入在浓缩 AlLi 合金中的有序且相干的 Al3Li 簇中的沉淀。团簇的自由能作为其大小的函数从模拟中提取，并从初始无序状态到粗化进行监控。发现簇自由能的所有分量都随单体的化学势线性变化，这一特性很容易结合到经典沉淀模型中。