Fig. 4
From: Thermal transport crossover from crystalline to partial-crystalline partial-liquid state
Characterize four different heat carriers based on the mean free path (MFP) analysis. a Accumulative thermal conductivity versus MFP at different temperatures from first principles calculations. b Frequency dependent transmission coefficient computed via Eq. (3). c Normalized accumulative thermal conductivity versus MFP from first principles, i.e., Boltzmann transport equation (BTE), and frequency-dependent direct decomposed method (FDDDM) (reactive force filed molecular dynamics) simulations. The black dashed line indicates the distance between the nearest neighbors. d Comparison of the relative contributions of different heat carriers in Li2S at 1300 K
