Open AccessUltrafast dynamics and scattering of protic ionic liquids induced by XFEL pulses
Author(s) -
Patra Kajwal Kumar,
Eliah Dawod Ibrahim,
Martin Andrew V.,
Greaves Tamar L.,
Persson Daniel,
Caleman Carl,
Timneanu Nicusor
Publication year - 2021
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s1600577521007657
Subject(s) - femtosecond , ultrashort pulse , scattering , laser , ionization , chemistry , molecular dynamics , atomic physics , coherence (philosophical gambling strategy) , femtochemistry , pulse (music) , chemical physics , ion , physics , optics , computational chemistry , quantum mechanics , detector , organic chemistry
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.