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Molecular dynamics investigation of homogeneous nucleation and cluster growth of platinum clusters from supersaturated vapour

机译:过饱和蒸气中铂团簇的均匀成核和团簇生长的分子动力学研究

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摘要

The formation of platinum nanoparticles from a supersaturated vapour phase is investigated by molecular dynamics simulations. Argon is added as carrier gas, removing the condensation heat from the nucleating system. The interactions between the platinum atoms are modelled by the multi-body embedded atom method. The nucleation rates in highly supersaturated systems are estimated as well as properties of the critical clusters from the nucleation theorems. Furthermore, the coalescence of platinum nanoparticles is investigated and a coalescence activated structural transition in platinum nanoparticles is described.
机译:通过分子动力学模拟研究了过饱和气相中铂纳米颗粒的形成。加入氩气作为载气,从成核系统中除去冷凝热。铂原子之间的相互作用是通过多体嵌入原子方法建模的。根据成核定理,可以估计高度过饱和系统中的成核速率以及关键簇的性质。此外,研究了铂纳米颗粒的聚结并描述了铂纳米颗粒中的聚结激活的结构转变。

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