Multiscale simulation of plasma flows using active learning.

Plasma flows encountered in high-energy-density experiments display features that differ from those of equilibrium systems. Nonequilibrium approaches such as kinetic theory (KT) capture many, if not all, of these phenomena. However, KT requires closure information, which can be computed from microscale simulations and communicated to KT. We present a concurrent heterogeneous multiscale approach that couples molecular dynamics (MD) with KT in the limit of near-equilibrium flows. To reduce the cost of gathering information from MD, we use active learning to train neural networks on MD data obtained by randomly sampling a small subset of the parameter space. We apply this method to a plasma interfacial mixing problem relevant to warm dense matter, showing considerable computational gains when compared with the full kinetic-MD approach. We find that our approach enables the probing of Coulomb coupling physics across a broad range of temperatures and densities that are inaccessible with current theoretical models.

Coefficient datasets for high-order, stable, and conservative boundary schemes for central and compact finite differences.

Stable and conservative numerical boundary schemes, for both compact and explicit (central) finite differences require a number of parameters that must be tuned for stability. Values of these coefficients for 4th, 6th, and 8th boundary schemes are given in this article. The stability of the schemes is demonstrated through a series of numerical tests in "High-Order, Stable, and Conservative Boundary Schemes for Central and Compact Finite Differences" Brady and Livescu, 2019. These tests include: a neutrally stable constant coefficient hyperbolic system, a two-dimensional varying coefficient hyperbolic scalar equation and, examining the transport of an inviscid vortex using the compressible Euler equations. The error norms for the variety of tests associated with different the schemes for different grid resolutions and time-step constraints are given in the accompanying databases.

Numerical simulations of two-fluid turbulent mixing at large density ratios and applications to the Rayleigh-Taylor instability.

A tentative review is presented of various approaches for numerical simulations of two-fluid gaseous mixtures at high density ratios, as they have been applied to the Rayleigh-Taylor instability (RTI). Systems exhibiting such RTI behaviour extend from atomistic sizes to scales where the continuum approximation becomes valid. Each level of description can fit into a hierarchy of theoretical models and the governing equations appropriate for each model, with their assumptions, are presented. In particular, because the compressible to incompressible limit of the Navier-Stokes equations is not unique and understanding compressibility effects in the RTI critically depends on having the appropriate basis for comparison, two relevant incompressible limits are presented. One of these limits has not been considered before. Recent results from RTI simulations, spanning the levels of description presented, are reviewed in connection to the material mixing problem. Owing to the computational limitations, most in-depth RTI results have been obtained for the incompressible case. Two such results, concerning the asymmetry of the mixing and small-scale anisotropy anomaly, as well as the possibility of a mixing transition in the RTI, are surveyed. New lines for further investigation are suggested and it is hoped that bringing together such diverse levels of description may provide new ideas and increased motivation for studying such flows.

Instability of the perfect subgrid model in implicit-filtering large eddy simulation of geostrophic turbulence.

We demonstrate, in the context of implicit-filtering large eddy simulations (LESs) of geostrophic turbulence, that while the attractor of a well-resolved statistically stationary turbulent flow can be reached in a coarsely resolved LES that is forced by the subgrid scale (SGS) terms diagnosed from the well-resolved computation, the attractor is generically unstable: the coarsely resolved LES system forced by the diagnosed SGS eddy terms has multiple attractors. This points to the importance of interpreting the diagnosed SGS forcing terms in a well-resolved computation or experiment from a combined physical-numerical point of view rather than from a purely physical point of view.