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

2024/08/07 by Thomas F. Campbell, Campbell, Thomas, Pontus Svensson +9 · 1 citation
Engineering · Physics and Astronomy · #Dust and Plasma Wave Phenomena #FOS: Physical sciences #Fluid Dynamics Simulations and Interactions #Plasma Physics (physics.plasm-ph) #Quantum Physics (quant-ph)

paper · pdf · doi:10.48550/arxiv.2408.03693

openalex publication_date 2024/08/07 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

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.

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