1. Molecular dynamics technique

1.1 Physical description level

To understand the heat transfer mechanisms at the space-time scales mentioned in the introduction, we need to take into account the appropriate level of physical description.

In thermal engineering, benchmarks such as the length and time of heat diffusion, deduced from the thermal diffusivity coefficient, are the basis for the analysis of conduction phenomena. The mean free path Λ and the mean free path time of energy carriers τ, quantities that appear in the kinetic expression of thermal conductivity λ : $\lambda =\frac{1}{3}\rho c_{V}v\text{Λ}$