Potential and Volume Changes at 275K in Molecular Dynamics Simulations

Translation: From Figure 5, it is observed that there is a sudden change in potential energy in each system around 275K, which is consistent with the transition point of the self-diffusion coefficient and shows a small deviation from the experimental values. From Figure 6, it is observed that there is a sudden change in volume in each system around 275K, which is consistent with the transition point of the self-diffusion coefficient and shows a small deviation from the experimental values.