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Title: Ultrafast nonthermal heating of water initiated by an X-ray Free-Electron Laser

Abstract

The bright ultrafast pulses of X-ray Free-Electron Lasers allow investigation into the structure of matter under extreme conditions. We have used single pulses to ionize and probe water as it undergoes a phase transition from liquid to plasma. We report changes in the structure of liquid water on a femtosecond time scale when irradiated by single 6.86 keV X-ray pulses of more than 10 6 J/cm 2. These observations are supported by simulations based on molecular dynamics and plasma dynamics of a water system that is rapidly ionized and driven out of equilibrium. Finally, this exotic ionic and disordered state with the density of a liquid is suggested to be structurally different from a neutral thermally disordered state.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3];  [3]; ORCiD logo [4];  [1];  [1];  [3];  [3];  [2];  [3];  [3];  [5];  [3]; ORCiD logo [6]; ORCiD logo [7];  [8]
  1. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science
  2. Uppsala Univ. (Sweden). Dept. of Physics and Astronomy
  3. SLAC National Accelerator Lab., Menlo Park, CA (United States). Linac Coherent Light Source (LCLS)
  4. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Photon Science
  5. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  6. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science; Univ. of Hamburg (Germany). Dept. of Physics; Univ. of Hamburg (Germany). Centre for Ultrafast Imaging
  7. Uppsala Univ. (Sweden). Dept. of Physics and Astronomy and Dept. of Cell and Molecular Biology
  8. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science; Uppsala Univ. (Sweden). Dept. of Physics and Astronomy
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1458456
Grant/Contract Number:  
AC02-76SF00515; P41GM103393; AC52-07NA27344
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Proceedings of the National Academy of Sciences of the United States of America
Additional Journal Information:
Journal Volume: 115; Journal Issue: 22; Journal ID: ISSN 0027-8424
Publisher:
National Academy of Sciences, Washington, DC (United States)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Beyerlein, Kenneth R., Jonsson, H. Olof, Alonso-Mori, Roberto, Aquila, Andrew, Bajt, Sa?a, Barty, Anton, Bean, Richard, Koglin, Jason E., Messerschmidt, Marc, Ragazzon, Davide, Sokaras, Dimosthenis, Williams, Garth J., Hau-Riege, Stefan, Boutet, Sebastien, Chapman, Henry N., Timneanu, Nicusor, and Caleman, Carl. Ultrafast nonthermal heating of water initiated by an X-ray Free-Electron Laser. United States: N. p., 2018. Web. doi:10.1073/pnas.1711220115.
Beyerlein, Kenneth R., Jonsson, H. Olof, Alonso-Mori, Roberto, Aquila, Andrew, Bajt, Sa?a, Barty, Anton, Bean, Richard, Koglin, Jason E., Messerschmidt, Marc, Ragazzon, Davide, Sokaras, Dimosthenis, Williams, Garth J., Hau-Riege, Stefan, Boutet, Sebastien, Chapman, Henry N., Timneanu, Nicusor, & Caleman, Carl. Ultrafast nonthermal heating of water initiated by an X-ray Free-Electron Laser. United States. doi:10.1073/pnas.1711220115.
Beyerlein, Kenneth R., Jonsson, H. Olof, Alonso-Mori, Roberto, Aquila, Andrew, Bajt, Sa?a, Barty, Anton, Bean, Richard, Koglin, Jason E., Messerschmidt, Marc, Ragazzon, Davide, Sokaras, Dimosthenis, Williams, Garth J., Hau-Riege, Stefan, Boutet, Sebastien, Chapman, Henry N., Timneanu, Nicusor, and Caleman, Carl. Mon . "Ultrafast nonthermal heating of water initiated by an X-ray Free-Electron Laser". United States. doi:10.1073/pnas.1711220115.
@article{osti_1458456,
title = {Ultrafast nonthermal heating of water initiated by an X-ray Free-Electron Laser},
author = {Beyerlein, Kenneth R. and Jonsson, H. Olof and Alonso-Mori, Roberto and Aquila, Andrew and Bajt, Sa?a and Barty, Anton and Bean, Richard and Koglin, Jason E. and Messerschmidt, Marc and Ragazzon, Davide and Sokaras, Dimosthenis and Williams, Garth J. and Hau-Riege, Stefan and Boutet, Sebastien and Chapman, Henry N. and Timneanu, Nicusor and Caleman, Carl},
abstractNote = {The bright ultrafast pulses of X-ray Free-Electron Lasers allow investigation into the structure of matter under extreme conditions. We have used single pulses to ionize and probe water as it undergoes a phase transition from liquid to plasma. We report changes in the structure of liquid water on a femtosecond time scale when irradiated by single 6.86 keV X-ray pulses of more than 106 J/cm2. These observations are supported by simulations based on molecular dynamics and plasma dynamics of a water system that is rapidly ionized and driven out of equilibrium. Finally, this exotic ionic and disordered state with the density of a liquid is suggested to be structurally different from a neutral thermally disordered state.},
doi = {10.1073/pnas.1711220115},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
number = 22,
volume = 115,
place = {United States},
year = {Mon May 14 00:00:00 EDT 2018},
month = {Mon May 14 00:00:00 EDT 2018}
}

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Works referenced in this record:

Gas dynamic virtual nozzle for generation of microscopic droplet streams
journal, September 2008

  • DePonte, D. P.; Weierstall, U.; Schmidt, K.
  • Journal of Physics D: Applied Physics, Vol. 41, Issue 19, Article No. 195505
  • DOI: 10.1088/0022-3727/41/19/195505