The unique heat and mass transfer properties of nanostructured materials result from a combination of various phenomena across multiple time and space scales. While these modern materials offer precision in performance for specific applications, their complexity in material design also increases. To bring these materials from laboratory to mass production in various industries, quickly predicting their heat and mass transfer properties becomes crucial.
In this review work, we examine recent advancements in the study of the coupled heat and mass transfer phenomena in nanostructured materials, with a specific emphasis on thermal applications. Using polymer nanocomposites, nanoporous materials and nanocolloids as case studies of materials for enhanced heat transfer/storage with nanoscale solid-solid and solid-liquid interfaces, we explore how atomistic and mesoscopic simulations can provide insight into their underlying heat and mass transfer mechanisms. We also discuss the potential for combining multi-scale simulations with data-driven approaches to enhance both prediction accuracy and speed of the thermophysical properties of nanostructured materials.
In summary, this work provides an overview of current research on the use of atomistic and mesoscopic simulations to study nanoscale heat and mass transfer phenomena in nanostructured materials for thermal applications, as well as the potential for multi-scale and data-driven approaches as next-generation tools for improved predictions.