We describe the status of a new time-dependent simulation capability for dense plasmas. The backbone of this multi-institutional effort – the Cimarron Project – is the massively parallel molecular ...dynamics (MD) code “ddcMD,” developed at Lawrence Livermore National Laboratory. The project’s focus is material conditions such as exist in inertial confinement fusion experiments, and in many stellar interiors: high temperatures, high densities, significant electromagnetic fields, mixtures of high- and low-
Z elements, and non-Maxwellian particle distributions. Of particular importance is our ability to incorporate into this classical MD code key atomic, radiative, and nuclear processes, so that their interacting effects under non-ideal plasma conditions can be investigated. This paper summarizes progress in computational methodology, discusses strengths and weaknesses of quantum statistical potentials as effective interactions for MD, explains the model used for quantum events possibly occurring in a collision, describes two new experimental efforts that play a central role in our validation work, highlights some significant results obtained to date, outlines concepts now being explored to deal more efficiently with the very disparate dynamical timescales that arise in fusion plasmas, and provides a careful comparison of quantum effects on electron trajectories predicted by more elaborate dynamical methods.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UL, UM, UPCLJ, UPUK
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3.
Ab initio simulations of compressed liquid deuterium Galli, Giulia; Hood, Randolph Q.; Hazi, Andrew U. ...
Physical review. B, Condensed matter and materials physics,
01/2000, Volume:
61, Issue:
2
Journal Article
Using ab initio molecular dynamics, we have investigated liquid deuterium under pressure, in a range of densities relevant to recent laser shock experiments. Our results show that between four- and ...sixfold compression, and temperatures between 5000 and 10 000 K, the liquid goes continuously from a dissociation/recombination regime, where a substantial proportion of atoms form D{sub 2} complexes, to a scattering regime, where mostly atoms are present. At about 10 000 K and sixfold compression, we find that the liquid is a poor metal. Our simulations point at a compression along the Hugoniot larger than indicated by old data, but smaller than predicted by laser shock experiments. (c) 2000 The American Physical Society.
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