Javier Urzay’s research while affiliated with United States Air Force Research Laboratory and other places

An integrated computational framework is introduced to study complex engineering systems through physics-based ensemble simulations on heterogeneous supercomputers. The framework is primarily designed for the quantitative assessment of laser-induced ignition in rocket engines. We develop and combine an implicit programming system, a compressible reacting flow solver, and a data generation/management strategy on a robust and portable platform. We systematically present this framework using test problems on a hybrid CPU/GPU machine. Efficiency, scalability, and accuracy of the solver are comprehensively assessed with canonical unit problems. Ensemble data management and autoencoding are demonstrated using a canonical diffusion flame case. Sensitivity analysis of the ignition of a turbulent, gaseous fuel jet is performed using a simplified, three-dimensional model combustor. Our approach unifies computer science, physics and engineering, and data science to realize a cross-disciplinary workflow. The framework is exascale-oriented and can be considered a benchmark for future computational science studies of real-world systems.

Breaking waves generate a distribution of bubble sizes that evolves over time. Knowledge of how this distribution evolves is of practical importance for maritime and climate studies. The analytical framework developed in Part 1 (Chan, Johnson & Moin, J. Fluid Mech., vol. 912, 2021, A42) examined how this evolution is governed by the bubble-mass flux from large- to small-bubble sizes which depends on the rate of break-up events and the distribution of child bubble sizes. These statistics are measured in Part 2 as ensemble-averaged functions of time by simulating ensembles of breaking waves, and identifying and tracking individual bubbles and their break-up events. The large-scale break-up dynamics is seen to be statistically unsteady, and two intervals with distinct characteristics were identified. In the first interval, the dissipation rate and bubble-mass flux are quasi-steady, and the theoretical analysis of Part 1 is supported by all observed statistics, including the expected −10/3 power-law exponent for the super-Hinze-scale size distribution. Strong locality is observed in the corresponding bubble-mass flux, supporting the presence of a super-Hinze-scale break-up cascade. In the second interval, the dissipation rate decays, and the bubble-mass flux increases as small- and intermediate-sized bubbles become more populous. This flux remains strongly local with cascade-like behaviour, but the dominant power-law exponent for the size distribution increases to −8/3 as small bubbles are also depleted more quickly. This suggests the emergence of different physical mechanisms during different phases of the breaking-wave evolution, although size-local break-up remains a dominant theme. Parts 1 and 2 present an analytical toolkit for population balance analysis in two-phase flows.

A Mach-10 hypersonic boundary layer of air overriding a cold, isothermal, non-catalytic flat wall, and with a stagnation enthalpy of 21.6 MJ kg −1 , is analysed using direct numerical simulations. The calculations include multicomponent transport, equilibrium vibrational excitation and chemical kinetics for air dissociation. The initially laminar boundary layer undergoes transition to turbulence by the resonance of a two-dimensional mode injected by a suction-and-blowing boundary condition imposed over a narrow spanwise porous strip. The ensuing turbulent boundary layer has a momentum Reynolds number of 3826 near the outflow of the computational domain. The relatively low temperature of the free stream renders the air chemically frozen there. However, the high temperatures generated within the boundary layer by viscous aerodynamic heating, peaking at a wall-normal distance y 10-20 in semi-local viscous units, lead to air dissociation in under-equilibrium amounts equivalent to 4 %-7 % on a molar basis of atomic oxygen, along with smaller concentrations of nitric oxide, which is mainly produced by the Zel'dovich mechanism, and of atomic nitrogen, the latter being mostly in steady state. A statistical analysis of the results is provided, including the streamwise evolution of (a) the skin friction coefficient and dimensionless wall heat flux; (b) the mean profiles of temperature, velocity, density, molar fractions, chemical production rates and chemical heat-release rate; (c) the Reynolds stresses and root-mean-squares of the fluctuations of temperature, density, pressure, molar fractions and chemical heat-release rate; and (d) the temperature/velocity and mass-fraction/velocity correlations.

Rocket engines and high-power new generations of gas-turbine jet engines and diesel engines oftentimes involve the injection of one or more reactants at subcritical temperatures into combustor environments at high pressures, and more particularly at pressures higher than those corresponding to the critical points of the individual components of the mixture, which typically range from 13 to 50 bars for most propellants. This class of trajectories in the thermodynamic space has been traditionally referred to as transcritical. However, the fundamental understanding of fuel atomization, vaporization, mixing, and combustion processes at such high pressures remains elusive. In particular, whereas fuel sprays are relatively well characterized at normal pressures, analyses of dispersion of fuel in high-pressure combustors are hindered by the limited experimental diagnostics and theoretical formulations available. The description of the thermodynamics of hydrocarbon-fueled mixtures employed in chemical propulsion systems is complex and involves mixing-induced phenomena, including an elevation of the critical point whereby the coexistence region of the mixture extends up to pressures much larger than the critical pressures of the individual components. As a result, interfaces subject to surface-tension forces may persist in multicomponent systems despite the high pressures, and may give rise to unexpected spray-like atomization dynamics that are otherwise absent in monocomponent systems above their critical point. In this article, the current understanding of this phenomenon is reviewed within the context of propulsion systems fueled by heavy hydrocarbons. Emphasis is made on analytical descriptions at mesoscopic scales of interest for computational fluid dynamics. In particular, a set of modifications of the constitutive laws in the Navier–Stokes equations for multicomponent flows, supplemented with a high-pressure equation of state and appropriate redefinitions of the thermodynamic potentials, are introduced in this work based on an extended version of the diffuse-interface theory of van der Waals. The resulting formulation involves revisited forms of the stress tensor and transport fluxes of heat and species, and enables a description of the mesoscopic volumetric effects induced by transcritical interfaces consistently with the thermodynamic phase diagram of the mixture at high pressures. Applications of the theory are illustrated in canonical problems, including dodecane/nitrogen transcritical interfaces in non-isothermal systems. The results indicate that a transcritical interface is formed between the propellant streams that persists downstream of the injection orifice over distances of the same order as the characteristic thermal-entrance length of the fuel stream. The transcritical interface vanishes at an edge that gives rise to a fully supercritical mixing layer.