Dislocation Analysis of 3C-SiC Nanoindentation with Different Crystal Plane Groups Based on Molecular Dynamics Simulation

• Published in: Journal of nanomaterials 2021-12, Vol.2021, p.1-11
• Main Authors: Yu, Dongling, Zhang, Huiling, Yi, Jiaqi, Fang, Yongzhen, Wu, Nanxing
• Format: Article
• Language: English
• Subjects: Atomic structure; Chemical bonds; Crystal defects; Crystal dislocations; Crystal structure; Crystal surfaces; Deformation; Distribution functions; Experiments; Mechanical properties; Molecular dynamics; Nanoindentation; Nanomaterials; Radial distribution; Shear strain; Shear stress; Silicon carbide; Simulation; Systems stability
• ISSN: 1687-4110; 1687-4129
• DOI: 10.1155/2021/2183326

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 gr 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.