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Hybrid Quantum-Hydrodynamics/Molecular Dynamics for Ultracold Neutral Plasmas

Large scale atomistic simulations of heterogeneous plasmas can provide a detailed description of the underlyring microscopic information necessary to inform and validate hydrodynamics models appropriate to modeling larger space and time scales1, Fast molecular dynamics (MD) simulations rely on the pair-potential approximation, which is extremely accurate for neutral matter; however, this appears to fail for heterogeneous plasmas in which macroscopic gradients in elecric fields impact the effective ionic interactions. We have found, for example, that simulations of expanding ultracold plasmas are poorly described by MD, despite the precise ion-by-ion nature of the simulation technique. Our goal is to extend MD to handle heterogeneous plasmas, producing more accurate hydrodynamic closure information.