Investigation of alloying process of Cu and Au nanoparticles based on molecular dynamics simulation

HC Zuo and SQ Cao and QZ Yin and JJ Huang, INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 34, 2050239 (2020).

DOI: 10.1142/S0217979220502392

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 angstrom) and Au(70 angstrom), Au(100 angstrom) and Cu(70 angstrom), Au(100 angstrom) and Cu(50 angstrom) Cu(100 angstrom) and Au(50 angstrom)) 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 angstrom)/Au(70 angstrom) system to reach the melting temperature. Besides, the change of relative gyration radius is related to the radius of nanoparticles.

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