Ionisation Calculations using Classical Molecular Dynamics

(2024)

Authors:

Daniel Plummer, Pontus Svensson, Dirk O Gericke, Patrick Hollebon, Sam M Vinko, Gianluca Gregori

A molecular dynamics framework coupled with smoothed particle hydrodynamics for quantum plasma simulations

(2024)

Authors:

Thomas Campbell, Pontus Svensson, Brett Larder, Daniel Plummer, Sam M Vinko, Gianluca Gregori

Ionic structure, Liquid-liquid phase transitions, X-Ray diffraction, and X-Ray Thomson scattering in shock compressed liquid Silicon in the 100-200 GPa regime

(2024)

Authors:

MWC Dharma-wardana, Dennis D Klug, Hannah Poole, G Gregori

Resonant inelastic x-ray scattering in warm-dense Fe compounds beyond the SASE FEL resolution limit

Communications Physics Nature Research 7:1 (2024) 266

Authors:

Alessandro Forte, Thomas Gawne, Karim K Alaa El-Din, Oliver S Humphries, Thomas R Preston, Céline Crépisson, Thomas Campbell, Pontus Svensson, Sam Azadi, Patrick Heighway, Yuanfeng Shi, David A Chin, Ethan Smith, Carsten Baehtz, Victorien Bouffetier, Hauke Höppner, Alexis Amouretti, David McGonegle, Marion Harmand, Gilbert W Collins, Justin S Wark, Danae N Polsin, Sam M Vinko

Abstract:

Resonant inelastic x-ray scattering (RIXS) is a widely used spectroscopic technique, providing access to the electronic structure and dynamics of atoms, molecules, and solids. However, RIXS requires a narrow bandwidth x-ray probe to achieve high spectral resolution. The challenges in delivering an energetic monochromated beam from an x-ray free electron laser (XFEL) thus limit its use in few-shot experiments, including for the study of high energy density systems. Here we demonstrate that by correlating the measurements of the self-amplified spontaneous emission (SASE) spectrum of an XFEL with the RIXS signal, using a dynamic kernel deconvolution with a neural surrogate, we can achieve electronic structure resolutions substantially higher than those normally afforded by the bandwidth of the incoming x-ray beam. We further show how this technique allows us to discriminate between the valence structures of Fe and Fe2O3, and provides access to temperature measurements as well as M-shell binding energies estimates in warm-dense Fe compounds.

Extended X-ray absorption spectroscopy using an ultrashort pulse laboratory-scale laser-plasma accelerator

Communications Physics Springer Nature 7:1 (2024) 247

Authors:

Brendan Kettle, Cary Colgan, Eva E Los, Elias Gerstmayr, Matthew JV Streeter, Felicie Albert, Sam Astbury, Rory A Baggott, Niall Cavanagh, Kateřina Falk, Timothy I Hyde, Olle Lundh, P Pattathil Rajeev, Dave Riley, Steven J Rose, Gianluca Sarri, Chris Spindloe, Kristoffer Svendsen, Dan R Symes, Michal Šmíd, Alec GR Thomas, Chris Thornton, Robbie Watt, Stuart PD Mangles

Abstract:

Laser-driven compact particle accelerators can provide ultrashort pulses of broadband X-rays, well suited for undertaking X-ray absorption spectroscopy measurements on a femtosecond timescale. Here the Extended X-ray Absorption Fine Structure (EXAFS) features of the K-edge of a copper sample have been observed over a 250 eV window in a single shot using a laser wakefield accelerator, providing information on both the electronic and ionic structure simultaneously. This capability will allow the investigation of ultrafast processes, and in particular, probing high-energy-density matter and physics far-from-equilibrium where the sample refresh rate is slow and shot number is limited. For example, states that replicate the tremendous pressures and temperatures of planetary bodies or the conditions inside nuclear fusion reactions. Using high-power lasers to pump these samples also has the advantage of being inherently synchronised to the laser-driven X-ray probe. A perspective on the additional strengths of a laboratory-based ultrafast X-ray absorption source is presented.