Modeling of thermal treatment of copper nanoparticles synthesized from gaseous phase
- 1 Ph.D. (Phys.-Math.), Khakas State University, Abakan
Keywords:
molecular dynamics methodstrong coupling potentialthermal effectstructural orderingclustercopper nanoparticle
Abstract
By molecular dynamics method with the use of strong coupling potential the thermal impact on copper nanoparticles synthesized from gaseous phase was simulated. It was established that cluster heating up to temperature 300-500 K, further structural ordering to 55-60 %, and at T = 600 K the long-range order disappeared. At 1100 K the complete melting of the nanoparticle was observed. It was shown 70%. The rest part of 30% clusters did not reduce to common structure shape and structure in the process of thermoactivated relaxation.
How to cite
Чепкасов И.В. Моделирование термической обработки наночастиц меди, синтезированных из газовой среды // Наноматериалы и наноструктуры - XXI век. 2015. № 4. С. 3–6.
References
- Tsyganov S., Kästner J., Rellinghaus B., Kauffeldt T., Westerhoff F., Wolf D. Analysis of Ni nanoparticle gas phase sintering // Phys. Rev. B. 2007. V. 75. P. 045421.
- Cleri F., Rosato V.Tight-binding potentials for transition metals and alloys // Phys. Rev.V 1993. V. 48. P. 22.
- Hoover W.G. Canonic dynamics: Equilibrium phase-space distribution // Phys. Rev. A. 1985. V. 31. P. 1965.
- Demtröder W.Molekülphysik: Theoretische Grundlage und experimentelle Methoden. München: Olderbourg. 2000. 460 p.
- Magnusson M., Deppert K., Malm J.O., Bovin J.O. and Samuelson L. Gold nanoparticles: Production, reshaping, and thermal charging // Journal of Nanoparticle Research. 1999. V. 1. R. 243.
- Gafner Yu.Ya., Gafner S.L., and Chepkasov I.V.The effect of thermal treatment on the organization of copper and nickel nanoclusters synthesized from the gas phase // Journal of Experimental and Theoretical Physics. 2010. V. 111. № 4. P. 607.