AI 中文总结
本研究开发结合平均原子轨道的通道混合RPA方法，精确处理等离子体中离子阻止的束缚与自由电子贡献，经验证可高效预测宽范围极端条件下的阻止效应，并分析了warm dense matter实验的理论-实验差异来源。
AI 中文摘要
部分电离等离子体中的离子阻止通常由束缚电子和自由电子贡献大致相等，但束缚电子贡献的处理通常非常粗糙，除了计算成本高昂的时间依赖密度泛函理论（TD-DFT）模拟。在布拉格峰以上的能量下，线性响应方法是良好近似，此时更精确的处理既可行又对预测建模至关重要。我们开发了一种通道混合随机相位近似（cmRPA）介电响应函数，它结合了Lindhard自由响应与显式平均原子束缚态跃迁。通过与环境条件实验和TD-DFT模拟的验证，我们证明了质子在布拉格峰附近及以上的阻止能取得极好的一致性。我们方法的计算效率使得能够系统探索宽密度和温度范围的极端条件。我们发现通过RPA的束缚与自由跃迁之间的通道混合产生的非平凡阻止效应、低速度下的束缚-束缚阻止贡献，并预测在与惯性约束聚变实验相关的峰值压缩条件下，钨中束缚电子对阻止有显著贡献。将我们的模型应用于Malko等人（2022）的 warm dense matter 阻止实验，我们评估改进的束缚态建模是否能解决报道的理论与实验差异，发现在线性响应理论的约束内，束缚阻止的建模错误不太可能是观测到的缺失的来源。
英文摘要
Ion stopping in partially ionized plasmas often receives roughly equal contributions from bound and free electrons, yet bound electron contributions are usually treated at a very coarse level, with the exception of costly time-dependent density functional theory (TD-DFT) simulations. At energies above the Bragg peak, where linear response methods are a good approximation, more accurate treatment is both feasible and critical for predictive modeling. We develop a channel-mixed random phase approximation (cmRPA) dielectric response function that combines Lindhard free response with explicit average-atom bound state transitions. Validating against ambient condition experiments and TD-DFT simulations, we demonstrate excellent agreement for proton stopping near and above the Bragg peak. The computational efficiency of our approach enables systematic exploration of extreme conditions across a wide range of densities and temperatures. We find non-trivial stopping effects from channel mixing between bound and free transitions via RPA, bound-bound stopping contributions at low velocity, and predict significant bound electron contributions to stopping in tungsten at peak compression conditions relevant to inertial confinement fusion experiments. Applying our model to the warm dense matter stopping experiment of Malko et al. (2022), we evaluate whether improved bound-state modeling could resolve the reported theory-experiment discrepancy, finding that within the constraints of linear response theory, bound stopping mismodeling is unlikely to be the source of the observed deficit.
Comments17 pages, 15 figures
