Effect of finite size on the thermal conductivity of MgO: A Molecular Dynamics Study

Magnesium Oxide (MgO) nanostructures are a class of materials that have attracted significant attention due to their unique properties, such as high surface area to volume ratio, enhanced chemical reactivity, and excellent thermal and mechanical stability. In this study thermal conductivity of magnesium-oxide nano-structures were examined throughout different simulation setups. Magnesium oxide nano-structures of varying lengths were simulated, while maintaining a constant cross-sectional width, as well as nano-structures with a fixed length and variable cross-sectional widths are maintained, were simulated. The findings indicate that, at room temperature, there exists a direct correlation between the length of the crystal and its thermal conductivity, with the latter approaching a value of which approaches to ۲۷ W/m⁻¹K⁻¹ for significantly large lengths. Furthermore, the investigation into the effects of cross-sectional width revealed it is shown that alterations in the cross-sectional area of the nanostructures do not result in any significant changes in thermal conductivity.

کلیدواژه ها:

thermal conductivity ، MD ، magnesium oxide ، Nano-structures