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64Cu is a favorable radionuclide in nuclear medicine applications because of its unique characteristics such as three types of decay (electron capture, β− and β+) and 12.7 h half-life. Production of 64Cu by irradiation natCu and natCuNPs in Tehran Research Reactor was investigated. The characteristics of copper nanoparticles were investigated with SEM, TEM and XRD analysis. The cross section of 63Cu(n,γ)64Cu reaction was done with TALYS-1.8 code. The activity value of 64Cu was calculated with theoretical approach and MCNPX-2.6 code. The results were compared with related experimental results which showed good adaptations between them. Keywords: 64Cu radioisotope, Copper nanoparticles, Production yield, MCNPX, TALYS-1.8