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

open access.

Bibliographische Detailangaben
Veröffentlicht in:Journal of synchrotron radiation. - 1994. - 28(2021), Pt 5 vom: 01. Sept., Seite 1296-1308
1. Verfasser: Patra, Kajwal Kumar (VerfasserIn)
Weitere Verfasser: Eliah Dawod, Ibrahim, Martin, Andrew V, Greaves, Tamar L, Persson, Daniel, Caleman, Carl, Timneanu, Nicusor
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2021
Zugriff auf das übergeordnete Werk:Journal of synchrotron radiation
Schlagworte:Journal Article X-ray free-electron lasers molecular dynamics non-local thermodynamic equilibrium protic ionic liquids radiation damage
Beschreibung
Zusammenfassung:open access.
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
Beschreibung:Date Revised 07.11.2023
published: Print-Electronic
Citation Status PubMed-not-MEDLINE
ISSN:1600-5775
DOI:10.1107/S1600577521007657