Nanotechnology plays an important role in the development of modern science and technology. In this paper, the alloying process of Cu and Au nanoparticles with different diameters (Cu(100 Å) and Au(70 Å), Au(100 Å) and Cu(70 Å), Au(100 Å) and Cu(50 Å) Cu(100 Å) and Au(50 Å)) was investigated by molecular dynamics (MD) simulation. Cu and Au nanoparticles contact each other at 300 K. The melting temperature of the Cu and Au system is about 1160 K in which the nanoparticles of the studied systems fuse rapidly. At the same time, the lattice structure of nanoparticles is also changed from face-centered cubic (FCC) to amorphous. Furthermore, shrinkage ratio and gyration radius as well as potential energy changed dramatically when the temperature reached 1160 K. The potential energy shows that more energy is needed for Cu(100 Å)/Au(70 Å) system to reach the melting temperature. Besides, the change of relative gyration radius is related to the radius of nanoparticles.

中文翻译：

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基于分子动力学模拟的Cu和Au纳米颗粒合金化过程研究

纳米技术在现代科学技术的发展中发挥着重要作用。本文研究了不同直径的Cu和Au纳米粒子(Cu(100 Å)和Au(70 Å)、Au(100 Å)和Cu(70 Å)、Au(100 Å)和Cu(50 Å)的合金化工艺。 ) 通过分子动力学 (MD) 模拟研究了 Cu(100 Å) 和 Au(50 Å))。Cu 和 Au 纳米粒子在 300 K 时相互接触。Cu 和 Au 系统的熔化温度约为 1160 K，在该温度下，所研究系统的纳米粒子快速融合。同时，纳米粒子的晶格结构也由面心立方（FCC）转变为无定形。此外，当温度达到 1160 K 时，收缩率和回转半径以及势能发生了显着变化。势能表明，Cu(100 Å)/Au(70 Å) 体系需要更多的能量才能达到熔化温度。此外，相对回转半径的变化与纳米粒子的半径有关。