Materials discovery and properties prediction in thermal transport via materials informatics: a mini-review

Abstract: There has been an increasing demand for materials with special thermal properties, whereas experimental discovery is high-cost and time-consuming. The emerging discipline `Materials Informatics' is an effective approach that can accelerate materials development by combining material science and big data technique. Recently materials informatics has been applied to the design of novel materials such as thermal interface materials for heat-dissipation, and thermoelectric materials for power generation. This mini-review summarized the research progress on the applications of materials informatics for the thermal transport properties prediction and discovery of materials with special thermal properties, including optimal thermal conductivity, interfacial thermal conductance and thermoelectricity efficiency. In addition, some perspectives are given for the outlook of materials informatics in the field of thermal transport.