多组分温稠密物质电离性质研究

The ablator of fuel parcels in inertial confinement fusion is usually made of multi-component materials composed of carbon and hydrogen isotopes. It stays in the warm dense state for most of time during the implosion process. Considering its ionization is of great importance to the prediction and control of the fusion process, we propose to develop an ionization model for multi-component warm dense materials through the case study of warm dense KCl, a typical multi-component material. The model as well as the relation between ionization and the components of the warm dense materials will be extracted from the results of first-principles molecular dynamics calculation on KCl, and it will be applied to the ablator material to determine the condition for the occurrence of sudden changes in ionization.

惯性约束聚变中的靶丸烧蚀层是由碳及氢同位素构成的多组分材料。在内爆过程的很长时间内处于温稠密状态。其电离性质的研究对数值预测及控制聚变过程有重要意义。本项目拟从第一性原理分子动力学结果出发，通过研究典型的多组分温稠密材料KCl，建立多组分温稠密物质电离的原子模型，总结出电离与组分的依赖关系，并应用于研究烧蚀层材料的电离突变规律。

本课题以第一性原理分子动力学方法为基础来研究多组分温稠密物质的电离性质。通过计算KCl、氮、甲烷等物质在温/热稠密状态下的X射线吸收谱，以及碳-氢、碳等物质温/热稠密状态下的电子结构、热力学性质等，明确了温/热稠密物质电离所遵循的规律。并初步提出了改进温/热稠密物质辐射不透明度的第一性原理计算方案。在课题的支持下，我们还提出了第一性原理计算X射线Thomson散射谱的方法。本课题一共发表论文12篇，其中Physical Review Letters 1篇、Physical Review B 3篇、Physical Reivew E 1篇、中文1篇。培养博士生2名。