热重氢中电子-离子动态碰撞的约化离子扩散
Reduced Ionic Diffusion by the Dynamic Electron-Ion Collisions in Warm Dense Hydrogen
摘要：
电子-离子动态碰撞在决定热密物质（WDM）的静态和输运性质中起着重要作用。用电子力场方法研究了热重氢离子输运性质。与量子分子动力学和无轨道分子动力学的结果相比，考虑了电子和离子的动力学碰撞，大大减少了离子扩散。量子朗之万分子动力学（QLMD）模拟验证了这一物理现象，其中包括电子-离子碰撞诱导摩擦（EI-CIF）到离子的动力学方程。在此基础上，我们提出了一个包含碰撞摩擦修正的离子扩散模型。CIF模型在较宽的密度和温度范围内都是有效的.并与Yukawa单组分等离子体（YOCP）模型和有效OCP（EOCP）模型进行了比较.我们提出了用CIF模型修正EOCP模型来计算自扩散系数，以引入动态电子-离子碰撞效应。
英文摘要：
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.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
