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Ultrafast dynamics and scattering of protic ionic liquids induced by XFEL pulses
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Chemical and Bio-Molecular Physics.ORCID iD: 0000-0001-9193-798X
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Chemical and Bio-Molecular Physics. Uppsala Univ, Dept Phys & Astron, Box 516, SE-75120 Uppsala, Sweden.;European XFEL, Holzkoppel 4, DE-22869 Schenefeld, Germany..ORCID iD: 0000-0002-2926-5702
RMIT Univ, Sch Sci, 124 La Trobe St, Melbourne, Vic 3000, Australia..
RMIT Univ, Sch Sci, 124 La Trobe St, Melbourne, Vic 3000, Australia..
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2021 (English)In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 28, no 5, p. 1296-1308Article in journal (Refereed) Published
Abstract [en]

X-rays are routinely used for structural studies through scattering, and femtosecond X-ray lasers can probe ultrafast dynamics. We aim to capture the femtosecond dynamics of liquid samples using simulations and deconstruct the interplay of ionization and atomic motion within the X-ray laser pulse. This deconstruction is resolution dependent, as ionization influences the low momentum transfers through changes in scattering form factors, while atomic motion has a greater effect at high momentum transfers through loss of coherence. Our methodology uses a combination of classical molecular dynamics and plasma simulation on a protic ionic liquid to quantify the contributions to the scattering signal and how these evolve with time during the X-ray laser pulse. Our method is relevant for studies of organic liquids, biomolecules in solution or any low-Z materials at liquid densities that quickly turn into a plasma while probed with X-rays.

Place, publisher, year, edition, pages
INT UNION CRYSTALLOGRAPHY International Union Of Crystallography, 2021. Vol. 28, no 5, p. 1296-1308
Keywords [en]
radiation damage, molecular dynamics, non-local thermodynamic equilibrium, protic ionic liquids, X-ray free-electron lasers
National Category
Atom and Molecular Physics and Optics Accelerator Physics and Instrumentation
Identifiers
URN: urn:nbn:se:uu:diva-456491DOI: 10.1107/S1600577521007657ISI: 000693111600005PubMedID: 34475279OAI: oai:DiVA.org:uu-456491DiVA, id: diva2:1604378
Conference
11th International Workshop on X-Ray Radiation Damage to Biological Crystalline Samples, OCT 14-16, 2020, ELECTR NETWORK
Funder
Swedish Research Council, 2018-00740Swedish Research Council, 2019-3935Carl Tryggers foundation , CTS 18:392Available from: 2021-10-19 Created: 2021-10-19 Last updated: 2024-01-15Bibliographically approved

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Patra Kumar, KajwalDawod, Ibrahim EliahCaleman, CarlTimneanu, Nicusor

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Journal of Synchrotron Radiation
Atom and Molecular Physics and OpticsAccelerator Physics and Instrumentation

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