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Ultrafast dynamics and scattering of protic ionic liquids induced by XFEL pulses

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. T...

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Autores principales: Patra, Kajwal Kumar, Eliah Dawod, Ibrahim, Martin, Andrew V., Greaves, Tamar L., Persson, Daniel, Caleman, Carl, Timneanu, Nicusor
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8415341/
https://www.ncbi.nlm.nih.gov/pubmed/34475279
http://dx.doi.org/10.1107/S1600577521007657
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author Patra, Kajwal Kumar
Eliah Dawod, Ibrahim
Martin, Andrew V.
Greaves, Tamar L.
Persson, Daniel
Caleman, Carl
Timneanu, Nicusor
author_facet Patra, Kajwal Kumar
Eliah Dawod, Ibrahim
Martin, Andrew V.
Greaves, Tamar L.
Persson, Daniel
Caleman, Carl
Timneanu, Nicusor
author_sort Patra, Kajwal Kumar
collection PubMed
description 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.
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spelling pubmed-84153412021-09-16 Ultrafast dynamics and scattering of protic ionic liquids induced by XFEL pulses Patra, Kajwal Kumar Eliah Dawod, Ibrahim Martin, Andrew V. Greaves, Tamar L. Persson, Daniel Caleman, Carl Timneanu, Nicusor J Synchrotron Radiat Radiation Damage 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. International Union of Crystallography 2021-08-19 /pmc/articles/PMC8415341/ /pubmed/34475279 http://dx.doi.org/10.1107/S1600577521007657 Text en © Kajwal Kumar Patra et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Radiation Damage
Patra, Kajwal Kumar
Eliah Dawod, Ibrahim
Martin, Andrew V.
Greaves, Tamar L.
Persson, Daniel
Caleman, Carl
Timneanu, Nicusor
Ultrafast dynamics and scattering of protic ionic liquids induced by XFEL pulses
title Ultrafast dynamics and scattering of protic ionic liquids induced by XFEL pulses
title_full Ultrafast dynamics and scattering of protic ionic liquids induced by XFEL pulses
title_fullStr Ultrafast dynamics and scattering of protic ionic liquids induced by XFEL pulses
title_full_unstemmed Ultrafast dynamics and scattering of protic ionic liquids induced by XFEL pulses
title_short Ultrafast dynamics and scattering of protic ionic liquids induced by XFEL pulses
title_sort ultrafast dynamics and scattering of protic ionic liquids induced by xfel pulses
topic Radiation Damage
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8415341/
https://www.ncbi.nlm.nih.gov/pubmed/34475279
http://dx.doi.org/10.1107/S1600577521007657
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