研究目的
To investigate the effects of high temperature on the mechanical performance of SiC under shock loading, including shock-induced damage and fracture, plasticity, and structural phase transitions.
研究成果
High initial temperature in samples significantly affects the shock properties of SiC, including decreasing the longitude elastic wave speeds and shock stresses, inhibiting the formation of deformation twinning, and reducing the structural phase transition threshold pressure. The spall strength is also reduced at elevated temperatures, except in the micro-spall regime where the spall strengths are similar at both temperatures.
研究不足
The study is limited to molecular dynamics simulations, which may not fully capture all physical phenomena observed in experimental conditions. The simulations are also constrained by the computational resources available, limiting the size of the systems and the duration of the simulations.
1:Experimental Design and Method Selection:
Large-scale molecular dynamics simulations using the LAMMPS code to investigate shock-induced damage and fracture in 3C-SiC single crystals at an elevated initial temperature of 2000 K and a high tensile strain rate of ~1010 s-1. Three crystal orientations [001], [110], and [111] were evaluated.
2:Three crystal orientations [001], [110], and [111] were evaluated.
Sample Selection and Data Sources:
2. Sample Selection and Data Sources: Simulated 3C-SiC structure systems containing about 24 million atoms. The sample length along the x-, y-, and z-axes are ~44.5 nm, ~44.5 nm, and 130.8 nm, respectively.
3:5 nm, ~5 nm, and 8 nm, respectively.
List of Experimental Equipment and Materials:
3. List of Experimental Equipment and Materials: LAMMPS code for MD simulations, Vashishta potential for interatomic interactions.
4:Experimental Procedures and Operational Workflow:
Systems were first equilibrated using an NPT ensemble with periodic boundaries in all three directions, with negligible residual stresses. Planar shock loading was realized by removing the periodicity in the z-dimension and introducing a flat-surface infinite-mass piston moving in the positive z direction from the lower z boundary.
5:Data Analysis Methods:
The virial stress definition was used for stress tensor components. The tool Ovito was used for visualizations, including coordination analysis, dislocation analysis (DXA), diamond structure identification, and surface mesh construction.
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