Large Eddy Simulation (LES) with dynamic Smagorinsky model has been applied to numerically investigate the complicated flow structures that evolve in the near wake of a cylindrical after body aligned with a uniform Mach 2.46 flow. Mean flow field properties obtained from numerical simulations, such as axial velocity, pressure on base surface, have been compared with the experimental measurements as well as with other published results. It has been found that standard k-epsilon model fails to predict the flow properties in the recirculation region where better agreement has been observed between the data obtained from LES and experimental measurements. Flow Statistics like turbulent kinetic energy and primary Reynolds' stress have also been calculated and compared with the results obtained from experiments in order to quantitatively assess the ability of LES technique to predict the turbulence properties of flow field in the highly compressible shear layer region. The data obtained from LES has been further analyzed to understand the evolution of coherent structures in the flow field. Proper Orthogonal Decomposition (POD) of the data obtained from central plane in the wake region has been performed in order to reveal the most energetic structures present in the flow field.

Material models for single-crystal β-HMX are systematically examined in the context of continuum pore-collapse simulations. Continuum predictions using five different isotropic material models are compared head-to-head with molecular dynamics (MD) predictions for a 50 nm cylindrical pore in β-HMX subject to a range of shock strengths. Shock waves were generated using a reverse-ballistic configuration, propagating along [010] in the MD simulations. The continuum models are improved hierarchically, drawing on temperature- and pressure-dependent MD-derived material parameters. This procedure reveals the sensitivity of the continuum predictions of pore collapse to the underlying thermophysical models. The study culminates in an MD-calibrated isotropic rate- and temperature-dependent strength model, which includes appropriate submodels for the temperature-dependent melting point of β-HMX [M. P. Kroonblawd and R. A. Austin, Mech. Mater. 152, 103644 (2021)], pressure-dependent shear modulus [A. Pereverzev and T. Sewell, Crystals 10, 1123 (2020)], and temperature-dependent specific heat, that produces continuum pore-collapse results similar to those predicted by MD. The resulting MD-informed model should improve the fidelity of simulations to predict the detonation initiation of HMX-based energetic materials containing micrometer-scale pores.

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Large Eddy Simulation (LES) with dynamic sub-grid scale eddy viscosity model has been applied to numerically investigate the evolution of complicated flow structures in supersonic base flow with mass bleed. Mean flow properties obtained from numerical simulations, such as axial velocity, pressure on the base surface, have been compared with the experimental measurements to show that LES is able to predict the mean flow properties with acceptable accuracy. The data obtained from LES has been further analyzed to understand the evolution of coherent structures in the flow field. Periodical shedding of vortical structures from the outer shear layer has been observed and it has also been found that this vortex shedding is associated with the flapping of the outer shear layer. The frequency of flapping of the outer shear layer has been found out and the phase-averaged streamlines have been analyzed to further study the evolution of vortical structures associated with this flapping. The phase-averaged streamline plots clearly elucidate the evolution of vortical structures along the outer shear layer. Further, the study of these structures is investigated by performing Proper Orthogonal Decomposition (POD) analysis of the data, obtained along the central plane in the wake region. The POD results also 2 seem to agree well with the observations made in the phase averaged streamline plots, as the concentrated energy and enstropy are observed in the outer shear layer with fewer POD modes.

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