研究目的
Investigating the deformation behavior and phase transformation of 4H silicon carbide (4H-SiC) during nanoindentation process via molecular dynamics simulation.
研究成果
The study reveals that basal dislocations are most likely to be generated in (0001) face during nanoindentation of 4H-SiC, contributing to the distortion of 4H-SiC lattice. Phase transformation from 4H-SiC to 3C-SiC is observed, with 3C-SiC layers appearing at small indentation depths and 3C-SiC grains at larger depths. The transformation is driven by shear stress induced by the indenter, with stricter conditions required for grain formation. The findings provide insights into the deformation mechanism of SiC and its application in precision machining.
研究不足
The simulation model's size and the indentation velocity may not fully replicate real-world conditions. The study focuses on atomic-scale phenomena, which may not directly translate to macroscopic behaviors.
1:Experimental Design and Method Selection:
A three-dimensional MD model is conducted to investigate the deformation behavior and phase transformation of 4H-SiC during nanoindentation process with a cube corner diamond indenter.
2:Sample Selection and Data Sources:
The model consists of a monocrystalline 4H-SiC sample and a cube corner diamond indenter. The size of 4H-SiC sample is
3:84nm×58nm×42nm along X, Y and Z directions, containing 1519056 atoms. List of Experimental Equipment and Materials:
A cube corner diamond indenter with a tip radius of
4:5nm is used. Experimental Procedures and Operational Workflow:
The model is relaxed to reach a stable distribution state before the indentation process. The indentation direction is along Y axis, and the velocity of the indentation process is assigned as 50m/s.
5:Data Analysis Methods:
Structure analysis is conducted by OVITO using structure identification method. Radio distribution function (RDF) is applied to analyze the deformation of indent region during nanoindentation process.
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