Molecular Dynamics Investigation on Temperature-dependent Thermal Expansion and Elastic Properties of Gallium Nitride Nanorods

The coefficients of thermal expansion (CTE) properties of gallium nitride nanorod with various temperatures were studied by using molecular dynamics methods. The influence of the mechanical pressure loading on the axial CTE was also extensively explored. The results indicate that the axial coefficients of thermal expansion increases with increasing temperatures, and decreases with increasing mechanical pressure loading. Besides, the axial CTE varies nonlinearly with the temperature. The curve becomes gradual as the temperature increases, indicating that the nanorod expands more slowly at higher temperature. Our theoretical results demonstrate that, the external mechanical loading decreases the thermal performance of gallium nitride nanorod.