A molecular dynamics framework coupled with smoothed particle hydrodynamics for quantum plasma simulations
Abstract
We present a novel scheme for modelling quantum plasmas in the warm dense matter (WDM) regime via a hybrid smoothed particle hydrodynamic - molecular dynamic treatment, here referred to as 'Bohm SPH'. This treatment is founded upon Bohm's interpretation of quantum mechanics for partially degenerate fluids, does not apply the Born-Oppenheimer approximation, and is computationally tractable, capable of modelling dynamics over ionic timescales at electronic time resolution. Bohm SPH is also capable of modelling non-Gaussian electron wavefunctions. We present an overview of our methodology, validation tests of the single particle case including the hydrogen 1s wavefunction, and comparisons to simulations of a warm dense hydrogen system performed with wave packet molecular dynamics.
Cite
@article{arxiv.2408.03693,
title = {A molecular dynamics framework coupled with smoothed particle hydrodynamics for quantum plasma simulations},
author = {Thomas Campbell and Pontus Svensson and Brett Larder and Daniel Plummer and Sam M. Vinko and Gianluca Gregori},
journal= {arXiv preprint arXiv:2408.03693},
year = {2025}
}
Comments
21 pages, 17 figures