论文标题
通过动态电子离子碰撞减少了离子扩散
Reduced Ionic Diffusion by the Dynamic Electron-Ion Collisions in Warm Dense Hydrogen
论文作者
论文摘要
动态电子离子碰撞起着确定温暖物质（WDM）的静态和运输特性的重要作用。电子力场（EFF）方法用于研究温暖氢的离子转运特性。与量子分子动力学和无轨道分子动力学的结果相比，通过涉及电子和离子的动态碰撞，离子延伸物大大降低。该物理学通过量子Langevin分子动力学（QLMD）模拟来验证，其中包括电子离子碰撞诱导的摩擦（EI-CIF）到离子的动力学方程中。基于这些新结果，我们提出了一个模型，包括校正碰撞引起的离子扩散摩擦。 CIF模型已验证在密度和温度范围内有效。我们还将结果与Yukawa One组分等离子体（YOCP）模型和有效的OCP（EOCP）模型进行了比较。我们建议使用通过CIF模型修改的EOCP模型来计算自扩散系数，以引入动态电子离子碰撞效应。
The dynamic electron-ion collisions play an important rolein determining the static and transport properties of warmdense matter (WDM). Electron force field (eFF) method is applied to study the ionic transport properties of warm densehydrogen. Compared with the results from quantum moleculardynamics and orbital-free molecular dynamics, the ionicdiffusions are largely reduced by involving the dynamic collisions of electrons and ions. This physics is verified by quantum Langevin molecular dynamics (QLMD) simulations, which includes electron-ion collisions induced friction(EI-CIF) into the dynamic equation of ions. Based on these new results, we proposed a model including the correctionof collisions induced friction of the ionic diffusion. The CIF model has been verified to be valid at a wide range ofdensity and temperature. We also compare the results with the Yukawa one component plasma (YOCP) model andEffective OCP (EOCP) model. We proposed to calculate the self-diffusion coefficients using the EOCP model modifiedby the CIF model to introduce the dynamic electron-ion collisions effect.
