论文标题
离子核心对温度密集物中运输特征的影响
Ion core effect on transport characteristics in warm dense matter
论文作者
论文摘要
使用与分子动力学（MD）方法联合使用的有效潜在方法来研究离子核对温度密集物质状态下离子运输特性的影响。例如，我们考虑了震惊的硅。通过计算粒子的平均平方位移（MSD）和速度自相关函数（VAF），分析了微域内MD模拟的结果。 MSD和VAF用于计算离子的扩散系数。将结果与忽略离子核心效应的数据进行比较。发现离子核效应导致扩散系数的显着降低。此外，我们使用连接粘度和应力自相关函数的绿色kubo关系计算离子的粘度系数。据表明，离子核心效应会导致粘度系数的增加或减少，具体取决于离子间耦合的强度。
An effective potential approach in combination with the molecular dynamics (MD) method was used to study the effect of the ionic core on the transport properties of ions in the warm dense matter regime. As an example, we considered shocked silicon. The results of MD simulations within microcanonical ensemble were analyzed by computing the mean squared displacement (MSD) and the velocity autocorrelation function (VAF) of particles. The MSD and VAF are used to compute the diffusion coefficient of ions. The results are compared with the data computed neglecting the ion core effect. It is found that the ion core effect leads to a significant decrease of the diffusion coefficient. Additionally, we computed the viscosity coefficient of ions using the Green-Kubo relation connecting viscosity and the stress autocorrelation function. It is revealed that the ion core effect can cause increase or reduction of the viscosity coefficient depending on the strength of inter-ionic coupling.
