Yumozhapova Natalya V, Nomoev Andrey V, Syzrantsev Vyacheslav V, Khartaeva Erzhena Ch
Buryat State University, Smolina str., 24a, Ulan-Ude 670000, Russia.
Institute of Physical Materials Science, Siberian Branch of the Russian Academy of Sciences, Sakhyanovoy str., 6, Ulan-Ude 670047, Russia.
Beilstein J Nanotechnol. 2019 Dec 13;10:2497-2504. doi: 10.3762/bjnano.10.240. eCollection 2019.
Molecular dynamics modelling of the formation of copper and silicon composite nanostructures was carried out by using the many-particle potential method. The dependences of the internal structure on the cooling rate and the ratio of elements were investigated. The possibility of the formation of the Cu-Si nanoparticles from both a homogeneous alloy and two initial drops at short distance were shown. A comparative analysis showed that the diameter distribution of copper and silicon atoms in experimental particles coincides with the simulation results with silicon content of 50 atom %. Additionally, an estimation of the effective experimental cooling rate was made.
采用多粒子势方法对铜和硅复合纳米结构的形成进行了分子动力学模拟。研究了内部结构对冷却速率和元素比例的依赖性。结果表明，从均匀合金和近距离的两个初始液滴中都有可能形成Cu-Si纳米颗粒。对比分析表明，实验颗粒中铜和硅原子的直径分布与硅含量为50原子%的模拟结果相符。此外，还对有效的实验冷却速率进行了估算。
