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arXiv:physics/0405125 · Physical Review A

Kinetic modeling and molecular dynamics simulation of ultracold neutral plasmas including ionic correlations

Thomas Pohl, Thomas Pattard, Jan Michael Rost

Published Sep 28, 2004• 105 citations
arXivHTMLPDF

Abstract

A kinetic approach for the evolution of ultracold neutral plasmas including interionic correlations and the treatment of ionization/excitation and recombination/deexcitation by rate equations is described in detail. To assess the reliability of the approximations inherent in the kinetic model, we have developed a hybrid molecular dynamics method. Comparison of the results reveals that the kinetic model describes the atomic and ionic observables of the ultracold plasma surprisingly well, confirming our earlier findings concerning the role of ion-ion correlations [Phys. Rev. A 68, 010703 (2003)]. In addition, the molecular dynamics approach allows one to study the relaxation of the ionic plasma component toward thermodynamical equilibrium.

DOI
10.1103/physreva.70.033416

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A kinetic approach for the evolution of ultracold neutral plasmas including interionic correlations and the treatment of ionization/excitation and recombination/deexcitation by rate equations is described in detail. To assess the reliability of the approximations inherent in the kinetic model, we have developed a hybrid molecular dynamics method. Comparison of the results reveals that the kinetic model describes the atomic and ionic observables of the ultracold plasma surprisingly well, confirming our earlier findings concerning the role of ion-ion correlations [Phys. Rev. A 68, 010703 (2003)]. In addition, the molecular dynamics approach allows one to study the relaxation of the ionic plasma component toward thermodynamical equilibrium.
Recent experiments have demonstrated the spontaneous evolution of a gas of ultracold Rydberg atoms into an expanding ultracold plasma, as well as the reverse process of plasma recombination into highly excited atomic states. Treating the evolution of the plasma on the basis of kinetic equations, while ionization/excitation and recombination are incorporated using rate equations, we have investigated theoretically the Rydberg-to-plasma transition. Including the influence of spatial correlations on the plasma dynamics in an approximate way, we find that ionic correlations change the results quantitatively but not qualitatively.
We describe a hybrid molecular dynamics approach for the description of ultracold neutral plasmas, based on an adiabatic treatment of the electron gas and a full molecular dynamics simulation of the ions, which allows us to follow the long-time evolution of the plasma including the effect of the strongly coupled ion motion. The plasma shows a rather complex relaxation behavior, connected with temporal as well as spatial oscillations of the ion temperature. Furthermore, additional laser cooling of the ions during the plasma evolution drastically modifies the expansion dynamics, so that crystallization of the ion component can occur in this nonequilibrium system, leading to lattice-like structures or even long-range order resulting in concentric shells.
We describe a hybrid molecular dynamics approach for the description of ultracold neutral plasmas, based on an adiabatic treatment of the electron gas and a full molecular dynamics simulation of the ions, which allows us to follow the long-time evolution of the plasma including the effect of the strongly coupled ion motion. The plasma shows a rather complex relaxation behavior, connected with temporal as well as spatial oscillations of the ion temperature. Furthermore, additional laser cooling of the ions during the plasma evolution drastically modifies the expansion dynamics, so that crystallization of the ion component can occur in this nonequilibrium system, leading to lattice-like structures or even long-range order resulting in concentric shells.
Relaxation in non-ideal plasmas is a complex process that involves expansions/contractions, thermal conduction, thermalization and temperature equilibration. Unfortunately, very little is known experimentally about these processes because of the challenges associated with isolating them individually. As such, we rely heavily on unvalidated theoretical models. This knowledge gap is particularly large for the very challenging case of ionic relaxation. Current improvements in experimental techniques now allow for the creation of ultracold binary mixtures for the investigation of equilibrium relaxation phenomena dominated by ion-ion collisions. These experiments, when complemented by large-scale molecular dynamics (MD) simulations, promise to provide detailed data on these processes. We have modeled a binary relaxing ultracold neutral plasma with MD, motivated by experiments at Brigham Young University, and compared the results to the most common theoretical models. None of the temperature relaxation rates from current theoretical models is within an order of magnitude of the MD simulations, suggesting serious gaps in our knowledge of ionic relaxation. We argue that such disagreement is due to dynamical correlations neglected by the currently available theoretical models 1 , 2 .
We present a kinetic model based on coupled rate-equation simulations that accounts for state-detailed rate processes in the evolution of a molecular Rydberg gas to plasma. Calculations support a steady-state picture of Rydberg predissociation and its contribution to plasma dissipation. Inelastic collisions of electrons with Rydberg states efficiently transfer energy from and to the thermal bath of free electrons, giving rise to quasi equilibria of relatively high temperature. Dissipative effects that remove low- n population change the time course of this heating. Including statistically sampled channels of Rydberg predissociation with n - and ℓ-dependent lifetimes slows the relaxation to quasi equilibrium and retards the initial electron temperature increase. At later times, the dissociative loss of low- n population displaces this quasi equilibrium leading to continuous electron heating. Dissociation products appear at a rate that is controlled initially by the rate of Rydberg relaxation to quasi equilibrium. Thereafter, the overall rate at which the total dissociation consumes neutral molecules determines the decay rate for all levels. Simulations predict a total predissociation rate that is smaller than the initial rate of direct electron–ion dissociative recombination. At later times, residual predissociation displays an apparent first-order decay with a rate constant that fits well with experimental observations.
We present the first large-scale simulations of an ultracold neutral plasma, produced by photoionization of laser-cooled xenon atoms, from creation to initial expansion, using classical molecular-dynamics methods with open boundary conditions. We reproduce many of the experimental findings such as the trapping efficiency of electrons with increased ion number, a minimum electron temperature achieved on approach to the photoionization threshold, and recombination into Rydberg states of an anomalously low principal quantum number. In addition, many of these effects establish themselves very early in the plasma evolution ( similar ns) before the present experimental observations begin.