Phononic crystals (PnCs) and acoustic metamaterials (AMMs) are artificially architected
materials endowed with the capabilities of wave manipulation. This review specifically …

Grain or phase boundaries play a critical role in the carrier and phonon transport in bulk
thermoelectric materials. Previous investigations about controlling boundaries primarily …

Although the computation of heat flux and thermal conductivity either via Fourier's law or the
Green-Kubo relation has become a common task in molecular dynamics simulation …

Although isolated nonhexagonal carbon rings in graphene are associated with strain
relaxation and curvature, dense and ordered arrangements of four‐, five‐, and eight …

Crystalline Bi4O4SeCl2 exhibits record-low 0.1 W/mK lattice thermal conductivity (κ L), but
the underlying transport mechanism is not yet understood. Using a theoretical framework …

Bulk polymers are often regarded as thermal insulators due to low thermal conductivity,
which extremely limits their applications in the field of heat transfer. Over the past decades …

The ability to manipulate the twisting topology of van der Waals structures offers a new
degree of freedom through which to tailor their electrical and optical properties. The twist …

Charge transfer is a fundamental process that underlies a multitude of phenomena in
chemistry and biology. Recent advances in observing and manipulating charge and heat …

We report the thermal transport properties of wurtzite GaN in the presence of dislocations
using molecular dynamics simulations. A variety of isolated dislocations in a nanowire …

In this work, we investigated the tensile and compression forces effect on the thermal
conductivity of silicon. We used the equilibrium molecular dynamics approach for the …