Radiation-Induced Chemical Dynamics in Ar Clusters Exposed to Strong X-Ray Pulses

Kumagai, Yoshiaki; Jurek, Zoltán; Xu, Wenzhen; Fukuzawa, H.; Motomura, K.; Iablonskyi, D.; Nagaya, K.; Wada, Shin-ichi; Mondal, Subhendu; Tachibana, Takehiko; Ito, Yuta; Sakai, Tsukasa; Matsunami, K.; Nishiyama, Toshiyuki; Umemoto, Takayuki; Nicolas, Christophe; Miron, Catalin; Togashi, Tadashi; Ogawa, Kazuhiko; Owada, Shigeki; Tono, Kensuke; Yabashi, Makina; Son, Sang−Kil; Ziaja, Beata; Santra, Robin; Ueda, Kiyoshi

doi:10.1103/physrevlett.120.223201

Cited by 20 publications

(39 citation statements)

References 46 publications

(68 reference statements)

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“…This many-body and fully non-equilibrium model takes into account all relevant X-ray induced processes in matter (such as atomic photoionization, inner-shell Auger and fluorescent decay, collisional ionization and recombination), using their microscopic description. Chemical bonds can be represented using classical force fields 31,53 . However, in the current study, they were not included.…”

Section: Methodsmentioning

confidence: 99%

“…XMDYN simulations follow the temporal evolution of a stochastically ionized system. The code has been successfully applied to describe the interaction of clusters and macromolecules with X-rays 31,32,53,54 . It is not computationally feasible to simulate the dynamics of a non-uniformly irradiated crystal with a size of a few hundred nm using a code that follows the trajectories of all atoms and electrons individually.…”

Section: Methodsmentioning

confidence: 99%

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Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses

et al. 2020

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X-ray free-electron lasers (XFELs) enable crystallographic structure determination beyond the limitations imposed upon synchrotron measurements by radiation damage. The need for very short XFEL pulses is relieved through gating of Bragg diffraction by loss of crystalline order as damage progresses, but not if ionization events are spatially non-uniform due to underlying elemental distributions, as in biological samples. Indeed, correlated movements of iron and sulfur ions were observed in XFEL-irradiated ferredoxin microcrystals using unusually long pulses of 80 fs. Here, we report a femtosecond time-resolved X-ray pump/X-ray probe experiment on protein nanocrystals. We observe changes in the protein backbone and aromatic residues as well as disulfide bridges. Simulations show that the latter's correlated structural dynamics are much slower than expected for the predicted high atomic charge states due to significant impact of ion caging and plasma electron screening. This indicates that dense-environment effects can strongly affect local radiation damage-induced structural dynamics.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses

et al. 2020

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“…Furthermore, various levels of experimental methods and theoretical modelling are within reach for these relatively simple targets. Because of these reasons, atoms [6][7][8][9][10][11], molecules [12][13][14][15][16][17][18][19][20], and atomic clusters [21][22][23][24][25][26][27][28] irradiated by an XFEL pulse have been investigated extensively.…”

Section: Introductionmentioning

confidence: 99%

“…In this article, we review our experiments at SACLA, an XFEL facility in Japan, during the first five years, and modelling efforts, studying the interaction between intense, short X-ray pulses and gas-phase targets of increasing complexity, from atoms [8,11] to molecules [15][16][17]19,20] and to atomic clusters [24][25][26][27][28]. The main goal of these studies is to gain some insight into the interaction of the intense pulse with the single-particle targets, to understand if and how they are modified within the pulse duration.…”

Section: Introductionmentioning

confidence: 99%

X-ray induced ultrafast dynamics in atoms, molecules, and clusters: experimental studies at an X-ray free-electron laser facility SACLA and modelling

Fukuzawa

Ueda

2020

Advances in Physics: X

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X-ray free electron lasers (XFELs) deliver intense, coherent, femtosecond X-ray laser pulses. They are opening new research fields of studying ultrafast electronic and structural dynamics in various forms of matter and interaction of intense and short X-ray pulses with matter. For such studies, atoms, molecules, and atomic clusters in the gas phase may provide us with ideal platforms as various levels of experimental methods and theory are within reach. Developing experimental setups of electron and ion spectroscopies for gas-phase experiments at SACLA, a low-repetition rate X-ray free electron laser facility in Japan, we have studied the interaction of intense, short X-ray pulses with atoms, molecules, and atomic clusters. Via these experimental investigations and modelling efforts, we gain insight into the interaction of these intense pulses with the single-particle targets and extracted the information about how they are modified during the X-ray pulse duration. We summarize these studies in the present review. The information reported here will be important for any XFEL applications as the scattering signal used to image any targets may be strongly influenced by the XFEL-induced dynamics that occur in the target within the pulse duration.

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“…Their size is tunable and they are isolated systems with bulk density. The properties and responses of clusters in intense fields have been widely studied experimentally-using methods including charged-particle spectroscopy [8][9][10][11][12][13][14][15][16][17], X-ray diffraction [18][19][20][21][22][23][24][25][26], and fluorescence spectroscopy [27,28]-as well as theoretically [29][30][31][32].…”

Section: Introductionmentioning

confidence: 99%

Multispectroscopic Study of Single Xe Clusters Using XFEL Pulses

et al. 2019

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X-ray free-electron lasers (XFELs) deliver ultrashort coherent laser pulses in the X-ray spectral regime, enabling novel investigations into the structure of individual nanoscale samples. In this work, we demonstrate how single-shot small-angle X-ray scattering (SAXS) measurements combined with fluorescence and ion time-of-flight (TOF) spectroscopy can be used to obtain size- and structure-selective evaluation of the light-matter interaction processes on the nanoscale. We recorded the SAXS images of single xenon clusters using XFEL pulses provided by the SPring-8 Angstrom compact free-electron laser (SACLA). The XFEL fluences and the radii of the clusters at the reaction point were evaluated and the ion TOF spectra and fluorescence spectra were sorted accordingly. We found that the XFEL fluence and cluster size extracted from the diffraction patterns showed a clear correlation with the fluorescence and ion TOF spectra. Our results demonstrate the effectiveness of the multispectroscopic approach for exploring laser–matter interaction in the X-ray regime without the influence of the size distribution of samples and the fluence distribution of the incident XFEL pulses.

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Radiation-Induced Chemical Dynamics in Ar Clusters Exposed to Strong X-Ray Pulses

Cited by 20 publications

References 46 publications

Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses

Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses

X-ray induced ultrafast dynamics in atoms, molecules, and clusters: experimental studies at an X-ray free-electron laser facility SACLA and modelling

Multispectroscopic Study of Single Xe Clusters Using XFEL Pulses

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