抄録
In this study, we conducted analysis of quantum effect of hydrogen molecules on the energy transport of liquid hydrogen using classical Molecular Dynamics (MD) and path integral Centroid MD (CMD) method. We performed MD simulation across a wide temperature region in the constant density and compared the thermal conductivity of each method. The thermal conductivity was calculated using non-equilibrium MD method. As a result, it was confirmed that CMD shows lower thermal conductivity than classical MD and this tendency is consistent with experimental data. Moreover, it was clarified that because of the change of intermolecular potential due to the quantum effect, the potential energy transport by molecular motion and the energy transport by intermolecular interaction decrease.
