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The aspects of numerical simulation of heat transfer in a flow along the hexagonal rod bundle are discussed in the present work. The direct numerical simulation is used to investigate the flow with Reynolds and Prandtl numbers varying in the range from 2500 to 10000 and 0.0043 to 7 correspondingly. The obtained simulation results demonstrate good agreement with available experimental data and semi-empirical correlations for the thermo-hydraulic characteristics of the channel. The empirical correlations for the Nusselt number distributions summarizing the results of the numerical simulations are proposed. The preliminary calculations have shown that the modelled time averaging interval is comparable with the initial transition time interval. This observation allows applying the approach, proposed in [7], to speed up the simulations.