Effect of Grain-Size in Nanocrystalline Tungsten on Hardness and Dislocation Density: A Molecular Dynamics Study

Abstract

We have simulated a series of nanoindentation experiments on nanocrystalline tungsten specimens using a combination of molecular dynamics simulations and the embedded atom method potential. The research aimed to investigate the impact of grain size on the mechanical properties of tungsten. Nanoindentation is a technique used to measure the mechanical properties of materials at a small scale. In this study, the researchers varied the grain size of the tungsten specimens, ranging from 7.9 to 10.5 nanometers. They also applied a loading rate of 3 angstroms per picosecond at a temperature of 300 Kelvin. The study found that as the grain size increased, the hardness increased, and the elastic modulus decreased. Hardness is a measure of a material’s resistance to deformation, and the elastic modulus is a measure of a material’s stiffness. The findings suggest that as the grain size of tungsten increases, the material becomes harder but less stiff. Additionally, the study explored the ways in which nanocrystalline tungsten deformed during nanoindentation. The researchers found that the deformation of the material was primarily due to dislocation activity, which is consistent with previous research on the topic. Overall, the findings of this research provide valuable insights into the mechanical properties of nanocrystalline tungsten and the ways in which the material deforms under stress. These findings could have practical applications in the development of materials for use in various industries.

Keywords

• nanocrystalline tungsten
• nanoindentation
• molecular dynamics simulations
• mechanical properties
• defect mechanisms
• hardness