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Intense X-ray photo-absorption from short and intense pulses by a molecule triggers complicated electron and subsequently ion dynamics leading to photo-electron spectra which are difficult to interpret. Illuminating fullerenes offers a way…

Atomic and Molecular Clusters · Physics 2014-08-20 Abraham Camacho Garibay , Ulf Saalmann , Jan M. Rost

We study a nonlinear Schr\"odinger equation which arises as an effective single particle model in X-ray Free Electron Lasers (XFEL). This equation appears as a first-principles model for the beam-matter interactions that would take place in…

Numerical Analysis · Mathematics 2014-06-18 Paolo Antonelli , Agissilaos Athanassoulis , Zhongyi Huang , Peter A. Markowich

The European X-ray Free Electron Laser (XFEL) will deliver 30,000 fully coherent, high brilliance X-ray pulses per second each with a duration below 100 fs. This will allow the recording of diffraction patterns of single complex molecules…

Instrumentation and Detectors · Physics 2015-06-03 Jiaguo Zhang , Eckhart Fretwurst , Robert Klanner , Hanno Perrey , Ioana Pintilie , Thomas Poehlsen , Joern Schwandt

We study the perspectives of measuring the phenomenon of vacuum birefringence predicted by quantum electrodynamics using an x-ray free-electron laser (XFEL) alone. We devise an experimental scheme allowing the XFEL beam to collide with…

High Energy Physics - Phenomenology · Physics 2021-09-02 Felix Karbstein , Chantal Sundqvist , Kai S. Schulze , Ingo Uschmann , Holger Gies , Gerhard G. Paulus

The current state of the art in structural biology is led by NMR, X-ray crystallography and TEM investigations. These powerful tools however all rely on averaging over a large ensemble of molecules. Here, we present an alternative concept…

Atomic and Molecular Clusters · Physics 2015-12-15 Tatiana Latychevskaia , Jean-Nicolas Longchamp , Conrad Escher , Hans-Werner Fink

Motivated by recent experimental initiatives, such as at the Helmholtz International Beamline for Extreme Fields (HIBEF) at the European X-ray Free Electron Laser (XFEL), we calculate the birefringent scattering of x-rays at the combined…

Imaging the structure of molecules in transient excited states remains a challenge due to the extreme requirements for spatial and temporal resolution. Ultrafast electron diffraction from aligned molecules (UEDAM) provides atomic resolution…

Atomic Physics · Physics 2015-10-23 Jie Yang , Joshua Beck , Cornelis J. Uiterwaal , Martin Centurion

Coherent diffraction imaging (CDI) of single molecules at atomic resolution is a major goal for the x-ray free electron lasers (XFELs). However, during an imaging pulse, the fast laser-induced ionization may strongly affect the recorded…

Mesoscale and Nanoscale Physics · Physics 2015-06-05 Zoltan Jurek , Robert Thiele , Beata Ziaja , Robin Santra

Ultrafast diffraction imaging is a powerful tool to retrieve the geometric structure of gas-phase molecules with combined picometre spatial and attosecond temporal resolution. However, structural retrieval becomes progressively difficult…

Chemical Physics · Physics 2021-10-13 Xinyao Liu , Kasra Amini , Aurelien Sanchez , Blanca Belsa , Tobias Steinle , Jens Biegert

X-ray free-electron lasers (XFELs) may allow to employ the single particle imaging (SPI) method to determine the structure of macromolecules that do not form stable crystals. Ultrashort pulses of 10 fs and less allow to outrun complete…

Biological Physics · Physics 2015-11-20 O. Yu. Gorobtsov , U. Lorenz , N. M. Kabachnik , I. A. Vartanyants

The development of X-ray Free Electron Lasers (XFELs) has opened numerous opportunities to probe atomic structure and ultrafast dynamics of various materials. Single Particle Imaging (SPI) with XFELs enables the investigation of biological…

Computer Vision and Pattern Recognition · Computer Science 2023-11-29 Zhantao Chen , Cong Wang , Mingye Gao , Chun Hong Yoon , Jana B. Thayer , Joshua J. Turner

Radiation damage is an unavoidable process when performing structural investigations of biological macromolecules with X-ray sources. In crystallography this process can be limited through damage distribution in a crystal, while for single…

Materials Science · Physics 2009-11-13 C. Caleman , C. Ortiz , E. Marklund , F. Bultmark , M. Gabrysch , F. G. Parak , J. Hajdu , M. Klintenberg , N. Timneanu

The development of X-ray free-electron lasers (XFELs) has enabled ultrafast X-ray diffraction (XRD) experiments, which are capable of resolving electronic/vibrational transitions and structural changes in molecules, or capturing molecular…

Chemical Physics · Physics 2024-08-29 Sebastian V. Pios , Jiaji Zhang , Maxim F. Gelin , Hong-Guang Duan , Lipeng Chen

Single molecule X-ray scattering experiments with free electron lasers have opened a new route to the structure determination of biomolecules. Because typically only very few photons per scattering image are recorded and thus the…

Computational Physics · Physics 2023-04-17 Steffen Schultze , Helmut Grubmüller

X-ray free-electron lasers (FEL) deliver ultrabright X-ray pulses, but not the sequences of phase-coherent pulses required for time-domain interferometry and control of quantum states. For conventional split-and-delay schemes to produce…

Accelerator Physics · Physics 2022-02-11 S. Reiche , G. Knopp , B. Pedrini , E. Prat , G. Aeppli , S. Gerber

The use of strongly bent crystals in spectrometers for pulses of a hard x-ray free-electron laser is explored theoretically. Diffraction is calculated in both dynamical and kinematical theories. It is shown that diffraction can be treated…

Instrumentation and Detectors · Physics 2019-05-28 Vladimir Kaganer , Ilia Petrov , Liubov Samoylova

X-ray free-electron lasers (FELs) are promising tools for structural determination of macromolecules via coherent x-ray scattering. During ultrashort and ultraintense x-ray pulses with an atomic scale wavelength, samples are subject to…

Atomic Physics · Physics 2011-10-18 Sang-Kil Son , Linda Young , Robin Santra

We have recorded the coherent diffraction images of individual xenon clusters with intense extreme ultraviolet pulses to elucidate the influence of light-induced electronic changes on the diffraction pattern. Using the FLASH free-electron…

Single molecule imaging is one of the main target areas of X-ray free electron lasers. It relies on the possibility of orienting the large number of low counting statistics 2D diffraction patterns taken at random orientations of identical…

Atomic and Molecular Clusters · Physics 2012-11-30 Zoltan Jurek , Gyula Faigel

Radiation damage is considered to be the major problem that still prevents imaging an individual biological molecule for structural analysis. So far, all known mapping techniques using sufficient short wave-length radiation, be it X-rays or…

Biological Physics · Physics 2010-10-28 Matthias Germann , Tatiana Latychevskaia , Conrad Escher , Hans-Werner Fink