Abstract
To explore the deformation law of nanoindentation dislocations of different crystal plane groups of 3C-SiC by cube indenter. The molecular dynamics simulation method is used to construct the different crystal plane family models of 3C-SiC, select the ensemble, set the potential function, optimize the crystal structure, and relax the indentation process. The radial distribution function, shear strain, and dislocation deformation of nanoindentation on (001), (110), and (111) planes were analyzed, respectively. In the radial distribution function, the change in g r in the (110) crystal plane is the most obvious. Shear strain and dislocation occur easily at the boundary of square indentation defects. During the indentation process, the shear strain is enhanced along the atomic bond arrangement structure, (001) crystal plane shear strain is mainly concentrated around and below the indentation defects and produce a large number of cross dislocations, (110) the crystal plane shear strain is mainly concentrated in the shear strain chain extending around and below the indentation defect, which mainly produces horizontal dislocations, and (111) the crystal plane shear strain is mainly concentrated in four weeks extending on the left and right sides in the direction below the indentation defect and produces horizontal and vertical dislocations. The direction of shear stress release is related to the crystal structure. The crystal structure affects the direction of atomic slip, resulting in the results of sliding in different directions. The final dislocation rings are different, resulting in different indentation results.
Highlights
3C-SiC has excellent comprehensive properties such as high strength, high hardness, corrosion resistance, high temperature resistance, and low coefficient of thermal expansion [1, 2] and is widely used in high-precision fields such as aerospace, weapons and equipment, medical devices, and electronic components [3,4,5]
Molecular dynamics (MD) simulation can effectively simulate the overall process of nanoindentation and analyze the data [13,14,15]
The effects of indentation depth and indenter tip on dislocation formation and deformation mechanism during nanoindentation were analyzed by molecular dynamics simulation
Summary
3C-SiC has excellent comprehensive properties such as high strength, high hardness, corrosion resistance, high temperature resistance, and low coefficient of thermal expansion [1, 2] and is widely used in high-precision fields such as aerospace, weapons and equipment, medical devices, and electronic components [3,4,5]. By using molecular dynamics simulation of 3CSiC nanoindentation, we can effectively analyze the radial distribution function, shear strain, and dislocation deformation of different crystal planes of 3C-SiC in the indentation process. Liang et al [16, 17] analyzed the elastic-plastic deformation mechanism of single-crystal cubic silicon carbide in spherical nanoindentation by the molecular dynamics method. The effects of indentation depth and indenter tip on dislocation formation and deformation mechanism during nanoindentation were analyzed by molecular dynamics simulation. The effect of cube indenter on the shear strain and dislocation deformation of 3C-SiC specimens during indentation is not analyzed from the perspective of crystal structure. Based on the research of the above scholars on nanoindentation, the cube indentation process on different crystal surfaces of 3C-SiC specimens is analyzed by molecular dynamics simulation. The research results are of guiding significance for the study of the dislocation forming and deformation mechanism in the process of nanoindentation
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