XMDYN and XATOM: versatile simulation tools for quantitative modeling of X-ray free-electron laser induced dynamics of matter

被引：78

作者：

Jurek, Zoltan ^{[1
,2
]}

Son, Sang-Kil ^{[1
,2
]}

Ziaja, Beata ^{[1
,2
,3
]}

Santra, Robin ^{[1
,2
,4
]}

机构：

[1] DESY, Ctr Free Electron Laser Sci, Notkestr 85, D-22607 Hamburg, Germany

[2] Hamburg Ctr Ultrafast Imaging, Luruper Chaussee 149, D-22761 Hamburg, Germany

[3] Polish Acad Sci, Inst Nucl Phys, Radzikowskiego 152, PL-31342 Krakow, Poland

[4] Univ Hamburg, Dept Phys, Jungiusstr 9, D-20355 Hamburg, Germany

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2016年 / 49卷

关键词：

X-ray free-electron lasers; XFELs; dynamics of matter; ionization dynamics; radiation damage; computer programs; MOLECULAR-DYNAMICS; OPERATION; CLUSTERS; ATOMS;

D O I：

10.1107/S1600576716006014

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Rapid development of X-ray free-electron laser (XFEL) science has taken place in recent years owing to the consecutive launch of large-scale XFEL instruments around the world. Research areas such as warm dense matter physics and coherent X-ray imaging take advantage of the unprecedentedly high intensities of XFELs. A single XFEL pulse can induce very complex dynamics within matter initiated by core-hole photoionization. Owing to this complexity, theoretical modeling revealing details of the excitation and relaxation of irradiated matter is important for the correct interpretation of the measurements and for proposing new experiments. XMDYN is a computer simulation tool developed for modeling dynamics of matter induced by high-intensity X-rays. It utilizes atomic data calculated by the ab initio XATOM toolkit. Here these tools are discussed in detail.

引用

页码：1048 / 1056

页数：9

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