Receiving Copper Nanoparticles: Experiment and Modelling

Abstract:

The copper nanoparticles were obtained by evaporating the metal by the relativistic electron beam. The average size of synthesized particles was about 120 nm. They were characterized by X-ray diffraction, transmission electron microscopy. The results of the X-ray diffraction showed high content of the pure copper for closed setup with an inert gas. Transmission electron microscopy cleared some particles to have an icosahedral structure. These nanoparticles were obtained when the target was exposed by the beam with the highest current strength used in the experiment and the highest cooling of the copper vapor. The process of copper nanoparticle formation by the molecular dynamic method using EAM – potentials (potentials in the Embedded Atom Method form) was studied.

• Periodical: Solid State Phenomena (Volume 288)
• Pages: 140-147
• DOI: https://doi.org/10.4028/www.scientific.net/SSP.288.140
• Online since: March 2019
• Authors: Andrey V. Nomoev*, Erzhena Khartaeva, Natalia V. Yumozhapova, Tumen G. Darmaev, S.P. Bardakhanov, Vyacheslav V. Syzranthev, Konstantin V. Zobov, Yuri Ya Gafner
• Keywords: Computer Simulation, Copper Nanoparticles, Functional Materials, Molecular Dynamics, Thermal Stability

References

[1] A.Tamilvanan, B.Kulendran, K. Ponappa, B. Madhan Kumar, Copper Nanoparticles: Synthetic Strategies, Properties and Multifunctional Application, Int. J. of Nanosci. 13(02) (2014).

DOI: 10.1142/s0219581x14300016

[2] R.Manimaran, K. Palaniradja, N. Alagumurthi, S.Sendhilnathan, J. Hussain, Preparation and characterization of copper oxide nanofluid for heat transfer applications, Appl. Nanosci. 4 (2014) 163–167.

DOI: 10.1007/s13204-012-0184-7

[3] I. Chepkasov, Y. Gafner, S. Gafner, S. Bardakhanov, Condensation of Cu nanoparticles from the gas phase, The Physics of Metals and Metallography 117 (2016) 1003–1012.

DOI: 10.1134/s0031918x16080020

[4] A.P. Zavjalov, K.V. Zobov, V.V. Syzrantsev, S.P. Bardakhanov, I.K. Chakin, Synthesis of copper nanopowders using electron-beam evaporation at atmospheric pressure of inert gas, Nanotechnologies in Russia 9 (2014) 660–666.

DOI: 10.1134/s1995078014060196

[5] N. Yumozhapova, A. Nomoev, Y. Gafner, Computer Modeling of the Formation Process of Core-Shell Nanoparticles Cu@Si, Solid State Phenomena 271 (2018) 47-50.

DOI: 10.4028/www.scientific.net/ssp.271.47

[6] S. Bardakhanov, A. Nomoev, M. Schreiber, A. Radnaev, R. Salimov , K. Zobov, A. Zavjalov and E. Khartaeva, Chanel Structures Formed in Copper Ingots upon Melting and Evaporation by a Higt-Power Election Beam, Metals 5 (2015) 428-438.

DOI: 10.3390/met5010428

[7] L. D. Marks, L. Peng, Nanoparticle shape, thermodynamics and kinetics, J. Phys.: Condens, Matter, 28, (2016).

[8] Large-scale Atomic/Molecular Massively Parallel Simulator, LAMMPS, available at: http://lammps.sandia.gov.

DOI: 10.21236/ada623365

[9] S. M. Foiles, M. Baskes and M. S. Daw, Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys, Phys. Rev. B 33, 7983 (1986).

DOI: 10.1103/physrevb.33.7983

[10] J. D. Honeycutt, H. C. Andersen, Molecular dynamics study of melting and freezing of small Lennard-Jones clusters, J.Phys. Chem. 91, 4950 (1987) 4950–4963.

DOI: 10.1021/j100303a014

[11] H. Tuzuki, P. S. Branicio, J. P. Rino, Structural characterization of deformed crystals by analysis of common atomic neighborhood, Comput. Phys. Commun. 177 (2007) 518-523.

DOI: 10.1016/j.cpc.2007.05.018

[12] D. Faken, H. Jonsson, Systematic analysis of local atomic structure combined with 3D computer graphics, Comput. Mater. Sci. 2 (1994) 279-286.

DOI: 10.1016/0927-0256(94)90109-0