Today, thermal transport management in nanoelectronic devices is an essential factor in their design, efficiency, and lifetime. Moreover, thermal conductivity plays a crucial role in the figure of merit of the thermoelectric devices. Because of fundamental aspects and essential technological applications, nanoscale heat transport has emerged as an interdisciplinary area of research involving condensed matter physics, material sciences, electrical and mechanical engineering, etc. Heat transfer at the nanoscale is substantially different from that at the macroscale and is governed by the mean free path of heat carriers in materials. In this presentation, I will talk about the unusual thermal behavior of materials at the nanoscale utilizing the classical molecular dynamics simulation approach. I'll also show how mechanical strain, doping, functionalization, and grain size could influence the thermal conductivity of nanostructures. Moreover, the effects of boundaries and interfaces on the thermal transport of nanostructures will be discussed.