论文标题
冲击压缩下硼的相变
Phase transformation in boron under shock compression
论文作者
论文摘要
使用第一原理分子动力学，我们计算了各种硼相的状态和冲击雨龙的方程。我们发现，基于现有的平衡相图和通过冲击实验测量的知识的雨果人之间的不匹配，如果$α$ -b $ _ {12} $ _ {12} $/$β\rightArrowγ$ -b $ -b $ -b $ -b $ _ {28} $过渡性过多地在震撼的压缩中大量压制。我们的结果还表明，沿100 GPA和1500---3000开尔文的硼熔曲线存在异常和负clapeyron斜率。这些结果可以深入了解冲击压缩下的物质，特别是在实验测量中，相变和动力学效应的压缩率依赖性的重要性。
Using first-principles molecular dynamics, we calculated the equation of state and shock Hugoniot of various boron phases. We find a large mismatch between Hugoniots based on existing knowledge of the equilibrium phase diagram and those measured by shock experiments, which could be reconciled if the $α$-B$_{12}$/$β\rightarrowγ$-B$_{28}$ transition is significantly over-pressurized in boron under shock compression. Our results also indicate that there exists an anomaly and negative Clapeyron slope along the melting curve of boron at 100 GPa and 1500--3000 Kelvin. These results enable in-depth understanding of matter under shock compression, in particular the significance of compression-rate dependence of phase transitions and kinetic effects in experimental measurements.
