Molecular dynamics investigation of homogeneous nucleation and cluster growth of platinum clusters from supersaturated vapour
Molecular dynamics investigation of homogeneous nucleation and cluster growth of platinum clusters from supersaturated vapour
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过饱和蒸气中铂簇的均匀成核和簇生长的分子动力学研究
DOI：
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发表时间：
2005
期刊：
影响因子：
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通讯作者：
T. Kraska
中科院分区：
文献类型：
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作者：
N. Lümmen;T. Kraska
通过分子动力学模拟研究了过饱和汽相铂纳米颗粒的形成过程。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模型的多体嵌入原子方法。从成核定理出发，估算了高过饱和体系的成核速率和临界团簇的性质。此外，铂纳米粒子的聚结进行了研究，并在铂纳米粒子的聚结激活的结构转变进行了描述。
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.