mechanical properties of fe nanowires under uniaxial tests: a molecular dynamic study

The present study aimed to evaluate the mechanical properties of bcc fe nanowires, including their elastic moduli, ultimate strengths, stress-strain diagrams, and structural evolutions from bcc to fcc and hcp under external loading. for this purpose, the effects of temperature and various shapesof cross-sections (with the same area)on the mechanical properties of fe nanowires are evaluated using molecular dynamics simulation. the well-known embedded atom method potential function is employed in large-scale atomic/molecular massively parallel simulator (lammps) to model the metallic bonds between the fe atoms. the young's moduliare calculated based on the initial linear section of the stress-strain diagrams of uniaxial tension and compression of the nanowires. the comparison between the tensile and compressive results reveals thatthe strength values in compressive loadingdependon the shapes of the cross-sectionsmore than tensile loading following the order: circular> polygon> square> triangle. however, except for the triangular case, tensile strength values are less susceptible to the change of the cross-section shapes. on the other hand, for both loading states, increasing temperature results in reducing young's moduli and ultimate strength values.