Radiation-Induced Chemical Dynamics in Ar Clusters Exposed to Strong X-Ray Pulses
Radiation-Induced Chemical Dynamics in Ar Clusters Exposed to Strong X-Ray Pulses
复制标题
暴露于强 X 射线脉冲的 Ar 簇中的辐射诱导化学动力学
DOI：
10.1103/physrevlett.120.223201
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发表时间：
2018-05-31
影响因子：
8.6
通讯作者：
Ueda, Kiyoshi
中科院分区：
文献类型：
--
作者：
Kumagai, Yoshiaki;Jurek, Zoltan;Ueda, Kiyoshi
我们表明，电子和离子光谱揭示了暴露于X射线自由电子激光（XFEL）脉冲的Ar团簇中低聚物形成的细节，即，X射线引发的化学动力学从一个专门的分子动力学模拟工具的指导下，我们发现，货车范德华键合，低聚物的形成机制，和集群成分之间的电荷转移显着影响电离动力学引起的中等注量的XFEL脉冲。我们的研究结果清楚地表明，XFEL脉冲不仅可以用来“破坏和摧毁”分子组装，但也修改和改造它们的分子结构。所获得的预测的准确性，使得它可以应用集群光谱，在连接各自的模拟，用于估计的XFEL脉冲注量在单原子多光子吸收，这是很难访问与其他诊断工具的注量制度。
We show that electron and ion spectroscopy reveals the details of the oligomer formation in Ar clusters exposed to an x-ray free electron laser (XFEL) pulse, i.e., chemical dynamics triggered by x rays. With guidance from a dedicated molecular dynamics simulation tool, we find that van der Waals bonding, the oligomer formation mechanism, and charge transfer among the cluster constituents significantly affect ionization dynamics induced by an XFEL pulse of moderate fluence. Our results clearly demonstrate that XFEL pulses can be used not only to "damage and destroy" molecular assemblies but also to modify and transform their molecular structure. The accuracy of the predictions obtained makes it possible to apply the cluster spectroscopy, in connection with the respective simulations, for estimation of the XFEL pulse fluence in the fluence regime below single-atom multiple-photon absorption, which is hardly accessible with other diagnostic tools.