Modelling of warm dense hydrogen via explicit real time electron dynamics: electron transport properties

Physical Review E American Physical Society 110 (2024) 055205

Authors:

Pontus Svensson, Patrick Hollebon, Daniel Plummer, Sam Vinko, Gianluca Gregori

Abstract:

We extract electron transport properties from atomistic simulations of a two-component plasma by mapping the long-wavelength behaviour to a two-fluid model. The mapping procedure is performed via Markov Chain Monte Carlo sampling over multiple spectra simultaneously. The free-electron dynamic structure factor and its properties have been investigated in the hydrodynamic formulation to justify its application to the long-wavelength behaviour of warm dense matter. We have applied this method to warm dense hydrogen modelled with wave packet molecular dynamics and showed that the inferred electron transport properties are in agreement with a variety of reference calculations, except for the electron viscosity, where a substantive decrease is observed when compared to classical models.

Toward first principles-based simulations of dense hydrogen

Physics of Plasmas AIP Publishing 31:11 (2024) 110501

Authors:

Michael Bonitz, Jan Vorberger, Mandy Bethkenhagen, Maximilian P Böhme, David M Ceperley, Alexey Filinov, Thomas Gawne, Frank Graziani, Gianluca Gregori, Paul Hamann, Stephanie B Hansen, Markus Holzmann, SX Hu, Hanno Kählert, Valentin V Karasiev, Uwe Kleinschmidt, Linda Kordts, Christopher Makait, Burkhard Militzer, Zhandos A Moldabekov, Carlo Pierleoni, Martin Preising, Kushal Ramakrishna, Ronald Redmer, Sebastian Schwalbe, Pontus Svensson, Tobias Dornheim

Modelling of warm dense hydrogen via explicit real time electron dynamics: Electron transport properties

(2024)

Authors:

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

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