Atomistic elucidation of the mechanism of coarsening and core-shelling of nanoparticles via coalescence

采用分子动力学模拟方法，研究了两种不同初始速度的纳米粒子的聚结行为。结果表明，纳米粒子的初始速度对纳米粒子的最终形貌影响不大，其最终形貌受原始纳米粒子的温度和尺寸的控制，最终的形貌分为三种结构：外延结构、核壳结构和合金化结构。

Coalescence of two nanoparticles with initial velocities was investigated by means of molecular-dynamics simulation. It was concluded that the initial velocities of nanoparticles have little influence on the final morphologies of a created nanoparticle, that its final morphologies are controlled by the temperature and size of the original nanoparticles, and that the final morphologies are categorized into the three kinds of structure : epitaxial, core-shell, and alloyed structures.