Abstract

Statistical analysis of the results of molecular dynamics (MD) calculation of gas-phase “self-assembling” of nanoclusters during metal vapor condensation revealed the laws of energy transfer between metallic clusters and inert gas atoms. A model is proposed to determine the parameters of heat exchange between clusters and the environment at the initial stage of condensation. This model is based on averaged MD data on the interaction between small clusters and argon atoms. The parameters that can be used to transfer information from MD to a macroscopic condensation model are numerically determined. The results obtained can be used to describe nucleation to predict a nanoparticle size distribution in the production of metallic powders.

中文翻译：

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惰性气体气氛中铜蒸气冷凝过程中能量交换的统计模型

摘要

对金属团簇在气相凝结过程中纳米团簇气相“自组装”的分子动力学（MD）计算结果的统计分析揭示了金属团簇与惰性气体原子之间的能量转移规律。提出了一个模型，用于确定凝结初期聚类与环境之间的热交换参数。该模型基于有关小团簇和氩原子之间相互作用的平均MD数据。在数值上确定可用于将信息从MD传输到宏观冷凝模型的参数。获得的结果可用于描述成核，以预测金属粉末生产中的纳米粒度分布。