The thermomechanical behavior of ͓0001͔-oriented GaN nanowires with 2.26 and 3.55 nm in diameter under tensile loading is analyzed using molecular dynamics simulations with the Green-Kubo method and quantum correction. A phase transformation from wurtzite to a tetragonal structure is observed. The thermal conductivity is found to decrease as the wires undergo tensile deformation and phase transformation, except for the smallest diameter and temperatures above 1495 K at which it remains largely constant as the axial strain increases. The different trends appear to result from phonon behavior changes primarily associated with the surface structures of the nanowires at the different conditions. The coupling between the thermal and mechanical behaviors of nanostructures is important because it provides a mechanism for designing nanoscale devices and for enhancing the performance of devices. The variation with loading or deformation of thermal conductivity of nanowires and nanofilms of a range of materials is of particular interest and has been extensively studied. 1-6 For example, it has been reported that a structural transformation from wurtzite ͑WZ͒ to a graphitelike ͑HX͒ structure in ͓0110͔-oriented ZnO nanowires under tensile loading causes significant changes in the thermal conductivity of the nanowires. 2,7 The dominant effects that cause the conductivity change come from differences in density of the crystalline structures.In related studies, a tetragonal structure ͑TS͒ with fouratom rings is observed in ͓0001͔-oriented ZnO ͑Refs. 8 and 9͒ and GaN ͑Ref. 10͒ nanowires. This structure results from a phase transformation from WZ under uniaxial tensile loading. So far, thermal response changes of the nanowires associated with this structural transform have not been studied. Here, we report the results of molecular dynamics ͑MD͒ calculations that relate to the response changes. The focus is on the thermal conductivity of wires of different sizes at different temperatures. To obtain a more accurate quantification of the conductivity and temperature, the empirical approach of Lee et al. 11 for quantum correction of MD data and temperature is used.In this analysis, GaN nanowires with the WZ structure and a hexagonal cross section like that in Fig. 1 of Ref. 10 are considered. The axis of the nanowires is in the ͓0001͔ crystalline direction. Periodic boundary conditions are specified in the axial direction and the lateral surfaces of the wires are traction-free. The length of the wires is 14.45 nm and the diameters considered are 2.26 and 3.55 nm. The calculations are carried out using the LAMMPS code. 12 The Buckingham potential 13 is used to describe the short range interactions between atoms and the Wolf summation 14,15 is used to evalu-ate the long-range Coulombic forces. This potential reproduces the structural, elastic, and dielectric constants of the WZ, zinc-blende, and rocksalt structures. 13 Native-defect formation and surface relaxation are also effectively predicted. 13 The results obtained by using this p...