XMDYN and XATOM: versatile simulation tools for quantitative modeling of X-ray free-electron laser induced dynamics of matter
Abstract
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.
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For atoms, an experimentally well-tested approach to describing the electronic response to high-intensity x-rays is the model implemented within XATOM [2,112].
“For atoms, an experimentally well-tested approach to describing the electronic response to high-intensity x-rays is the model implemented within XATOM [2,112].”
From Roadmap of ultrafast x-ray atomic and molecular physics (2018) · cites this paper as [112]
An experimentally tested approach to addressing these challenges is the model implemented in XMDYN [112,113].
“An experimentally tested approach to addressing these challenges is the model implemented in XMDYN [112,113].”
From Roadmap of ultrafast x-ray atomic and molecular physics (2018) · cites this paper as [112]
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Roadmap of ultrafast x-ray atomic and molecular physics
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- Authors
- Jurek, Z., Son, S.-K., Ziaja, B., & Santra, R.
- Affiliations
- Deutsches Elektronen-Synchrotron DESY (DE)
- Universität Hamburg (DE)
- Venue
- Journal of Applied Crystallography
- Published
- 2016-04-22
- Volume
- 49
- Issue
- 3
- Pages
- 1048-1056
- ISSN
- 0021-8898 (ISSN-L)
- 1600-5767
- OpenAlex
- W2336407495
- Cited by
- 103
- References
- 50
- Citations by year
- 2026: 4 · 2025: 11 · 2024: 11 · 2023: 12 · 2022: 11 · 2021: 7 · 2020: 12 · 2019: 9 · 2018: 8 · 2017: 14 · 2016: 4
- FWCI
- 13.07
- Type
- journal article
- Language
- en
- Open access
- closed
- Licence
- Locations
- Journal of Applied Crystallography (publishedVersion)
- Desy publication database (The Deutsches Elektronen-Synchrotron) (submittedVersion)
- Topics
- Physical Sciences › Physics and Astronomy › Radiation › X-ray Spectroscopy and Fluorescence Analysis
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Laser-Matter Interactions and Applications
- Physical Sciences › Physics and Astronomy › Radiation › Advanced X-ray Imaging Techniques
- Keywords
- X-ray free-electron laser, warm dense matter, coherent X-ray imaging, atomic data
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