液氦中非金属-金属相变的量子分子动力学模拟
Quantum molecular dynamics simulations for the nonmetal-to-metal transition in fluid helium
摘要：
我们利用量子分子动力学模拟研究了高压下稠密氦原子的非金属-金属相变。我们提出了新的结果的状态方程和Hugoniot曲线在温暖的稠密物质区。光学电导率通过Kubo-Greenwood公式计算，直流电导率从该公式导出。非金属到金属的转变被确定为约1 g/ccm。我们比较实验结果以及与其他理论方法，特别是与化学模型的预测。
英文摘要：
We have performed quantum molecular dynamics simulations for dense helium to study the nonmetal-to-metal transition at high pressures. We present new results for the equation of state and the Hugoniot curve in the warm dense matter region. The optical conductivity is calculated via the Kubo-Greenwood formula from which the dc conductivity is derived. The nonmetal-to-metal transition is identified at about 1 g/ccm. We compare with experimental results as well as with other theoretical approaches, especially with predictions of chemical models.
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