The understanding of the nanoscale mechanisms of shock damage and failure in SiC is essential for its application in effective and damage tolerant coatings. We use molecular-dynamics simulations to investigate the shock properties of 3C-SiC along low-index crystallographic directions and in nanocrystalline samples with 5 nm and 10 nm grain sizes. The predicted Hugoniot in the particle velocity range of 0.1 km/s–6.0 km/s agrees well with experimental data. The shock response transitions from elastic to plastic, predominantly deformation twinning, to structural transformation to the rock-salt phase. The predicted strengths from 12.3 to 30.9 GPa, at the Hugoniot elastic limit, are in excellent agreement with experimental data.

中文翻译：

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单晶和纳米晶碳化硅上的平面冲击载荷

了解 SiC 中冲击损伤和失效的纳米级机制对于其在有效和耐损伤涂层中的应用至关重要。我们使用分子动力学模拟来研究 3C-SiC 沿低指数结晶方向和 5 nm 和 10 nm 晶粒尺寸的纳米晶样品的冲击特性。粒子速度范围为 0.1 km/s–6.0 km/s 的预测 Hugoniot 与实验数据吻合良好。冲击响应从弹性转变为塑性，主要是变形孪晶，转变为岩盐相的结构转变。在 Hugoniot 弹性极限下，12.3 到 30.9 GPa 的预测强度与实验数据非常吻合。