Enhancing surface strength of tungsten by gradient nano-grained structure

A gradient nano-grained (GNG) structure demonstrates satisfactory surface strength. However, the underlying mechanism responsible for its strengthening lacks sufficient research. To explain how gradient nano-grained structures improve surface strength in detail, large-scale parallel molecular dynamics simulations are utilized in this study to investigate the mechanical deformation behavior of BCC tungsten with varying grain sizes during spherical nanoindentation. The findings suggest that a well-designed gradient structure can promote rational plasticity and an appropriate distribution of internal atomic stress. The critical point of maximum stress and hardness is observed when the initial grain size is 4.5 nm, with an average grain size of 7.1 nm. The interaction between grain boundary slip and migration in small grains, along with the enhanced activity of grain boundary dislocations in large grains, collectively contributes to the enhancement of the strength and hardness of the GNG structure. Compared with a homogeneous nano-grained structure, the gradient nano-grained structure exhibits a more rational distribution of dislocations and stress relaxation effects to enhance strength. The present work utilizes the molecular dynamics nanoindentation method to study GNG materials, providing a methodology for investigating the surface strengthening effects of GNG structures at the atomic scale and effectively revealing potential mechanisms for resisting surface deformation in GNG structures.