The design of new materials that push the limits of achievable transport properties—i.e., thermal conductivity, interface conductance, heat capacity, and thermoelectric power factor—will enable the development of new device technologies based on these materials.
The researchers are developing tools to study the heat-carrying vibrations called phonons. They are studying phonon scattering so that the physical properties of nanoparticles can be optimized in order to push heat transfer to the highest possible limits. The new tool makes it possible to simulate phonon scattering with lower computing power, and it increases the maximum size of the systems that can be studied using computers. It can also be scaled up so that supercomputers can use it for complex simulations. The researchers described their new technique for studying phonon scattering in a paper that published in the Journal of Applied Physics.