In this paper, aggregation mechanisms of three Fe₂O₃ nanoparticles have been studied by molecular dynamics method. The accuracy of the Buckingham potential function is used to describe the interaction between atoms. Two simulations have been carried out including the linear initial structure and the triangle initial structure, respectively. Two types of shrinkage have been investigated to evaluate the degree of the aggregation. The small particle plays a bridge role in the aggregation of the linear structure while that of triangle structure accelerates the aggregation process. These simulation results firstly reveal the theory and the mechanism of three-body aggregation.

中文翻译：

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Fe ₂ O ₃纳米粒子的三体聚集：分子动力学模拟

本文通过分子动力学方法研究了三种Fe ₂ O ₃纳米粒子的聚集机理。白金汉势函数的精度用于描述原子之间的相互作用。已经进行了两个模拟，分别包括线性初始结构和三角形初始结构。已经研究了两种类型的收缩来评估聚集程度。小颗粒在线性结构的聚集中起桥梁作用，而三角形结构的小颗粒则加速聚集过程。这些仿真结果首先揭示了三体聚合的理论和机理。