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Porous materials provide a large surface‐to‐volume ratio, thereby providing a knob to alter fundamental properties in unprecedented ways. In thermal transport, porous nanomaterials can reduce thermal conductivity by not only enhancing phonon scattering from the boundaries of the pores and therefore decreasing the phonon mean free path, but also by reducing the phonon group velocity. Herein, a structure–property...
Equilibrium molecular dynamics (EMD) simulations through Green–Kubo formula (GKF) have been widely used in the study of thermal conductivity of various materials. However, there exist controversial simulation results which have huge discrepancies with experimental ones in literatures. In this Letter, we demonstrate that the fluctuation in calculated thermal conductivity is due to the uncertainty in...
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