Publications

Abstract not provided.

Abstract not provided.

We investigate the optical properties of ice crystals nucleated on atmospheric black carbon (BC). The parameters examined in this study are the shape of the ice crystal, the volume fraction of the BC inclusion, and its location inside the crystal. We report on new spectrometer measurements of forward scattering and backward polarization from ice crystals nucleated on BC particles and grown under laboratory-controlled conditions. Data from the Cloud and Aerosol Spectrometer with Polarization (CASPOL) are used for direct comparison with single-particle calculations of the scattering phase matrix. Geometrical optics and discrete dipole approximation techniques are jointly used to provide the best compromise of flexibility and accuracy over a broad range of size parameters. Together with the interpretation of the trends revealed by the CASPOL measurements, the numerical results confirm previous reports on absorption cross-section magnification in the visible light range. Even taking into account effects of crystal shape and inclusion position, the ratio between absorption cross-section of the compound particle and the absorption cross-section of the BC inclusion alone (the absorption magnification) has a lower bound of 1.5; this value increases to 1.7 if the inclusion is centered with respect to the crystal. The simple model of BC-ice particle presented here also offers new insights on the effect of the relative position of the BC inclusion with respect to the crystal's outer surfaces, the shape of the crystal, and its size.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Progress toward quantitative measurements and simulations of 3D, temporally resolved aerodynamic induced liquid atomization is reported. Columns of water and galinstan (liquid metal at room temperature) are subjected to a step change in relative gas velocity within a shock tube. Breakup morphologies are shown to closely resemble previous observations of spherical drops. The 3D position, size, and velocity of secondary fragments are quantified by a high-speed digital inline holography (DIH) system developed for this measurement campaign. For the first time, breakup dynamics are temporally resolved at 100 kHz close to the atomization zone where secondary drops are highly non-spherical. Experimental results are compared to interface capturing simulations using a combined level set moment of fluid approach (CLSMOF). Initial simulation results show good agreement with observed breakup morphologies and rates of deformation.

The purpose of this paper is to provide an overview of modern computational techniques for gas-liquid systems as they are found in liquid fuel atomization applications. Fuel atomization – the generation of ligaments and droplets from the bulk of liquid injection – offers several modeling challenges: a localized surface tension force, depending on the accurate evaluation of interface curvature; drastic topology changes, which complicate interface advection and introduce local length scales; and separation of phases that have substantially different physical properties. The techniques presented in this review specifically target the gas-liquid interface and couple its evolution in time with the equations of multiphase fluid dynamics. Recent algorithmic advances in this area are discussed first, including new methods that improve conservation properties and deal with very large density ratios and compressibility effects. This part is followed by a discussion on the issue of convergence in simulations with topology changes (i.e., surface pinch-off) and on the viewpoint offered by atomistic and statistical modeling. State-of the-art simulations for various types of fuel injectors are presented next, with particular attention to numerical convergence and to the inclusion of realistic inlet boundary conditions. The review is concluded by the discussion of some of the challenges that still remains in this field.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

We report on the development of a model framework to simulate spray flames from direct injection of liquid fuel into an automotive cylinder engine. The approach to this challenging problem was twofold. On one hand, the interface-capturing multiphase computer code CLSVOF was used to resolve the rapidly evolving, topologically convoluted interfaces that separate the liquid fuel from the gas at injection: the main challenges to address were the treatment of the high-pressure flow inside the injector, which required the inclusion of compressibility effects; and the computational framework necessary to achieve a Direct Numerical Simulation (DNS) level of accuracy. On the other hand, the scales of turbulent fuel mixing and combustion in the cylinder engine were addressed by the high-performance computer code RAPTOR within the Large Eddy Simulation (LES) framework. To couple the two computational methods, a novel methodology was developed to de- scribe the dense spray dynamics in Raptor from the assigned spray size distribution and dispersion angle derived from CLSVOF. This new, independent Eulerian Multi-Fluid (EMF) spray module was developed based on the kinetic description of a system of droplets as a pressure-less gas; as we will show, it was demonstrated to efficiently render the near-nozzle coupling in mass, momentum, and energy with the carrier gas phase.

We report on the development of a model framework to simulate spray flames from direct injection of liquid fuel into an automotive cylinder engine. The approach to this challenging problem was twofold. On one hand, the interface-capturing multiphase computer code CLSVOF was used to resolve the rapidly evolving, topologically convoluted interfaces that separate the liquid fuel from the gas at injection: the main challenges to address were the treatment of the high-pressure flow inside the injector, which required the inclusion of compressibility effects; and the computational framework necessary to achieve a Direct Numerical Simulation (DNS) level of accuracy. On the other hand, the scales of turbulent fuel mixing and combustion in the cylinder engine were ad- dressed by the high-performance computer code RAPTOR within the Large Eddy Simulation (LES) framework. To couple the two computational methods, a novel methodology was developed to describe the dense spray dynamics in Raptor from the assigned spray size distribution and dispersion angle derived from CLSVOF. This new, independent Eulerian Multi-Fluid (EMF) spray module was developed based on the kinetic description of a system of droplets as a pressure-less gas; as we will show, it was demonstrated to efficiently render the near-nozzle coupling in mass, momentum, and energy with the carrier gas phase.

As part of a Laboratory Directed Research and Development project, we are developing a modeling-and-simulation capability to study fuel direct injection in automotive engines. Predicting mixing and combustion at realistic conditions remains a challenging objective of energy science. And it is a research priority in Sandia’s mission-critical area of energy security, being also relevant to many flows in defense and climate. High-performance computing applied to this non-linear multi-scale problem is key to engine calculations with increased scientific reliability.

Abstract not provided.

A moment-of-fluid method is presented for computing solutions to incompressible multiphase flows in which the number of materials can be greater than two. In this work, the multimaterial moment-of-fluid interface representation technique is applied to simulating surface tension effects at points where three materials meet. The advection terms are solved using a directionally split cell integrated semi-Lagrangian algorithm, and the projection method is used to evaluate the pressure gradient force term. The underlying computational grid is a dynamic block-structured adaptive grid. The new method is applied to multiphase problems illustrating contact-line dynamics, triple junctions, and encapsulation in order to demonstrate its capabilities. Examples are given in two-dimensional, three-dimensional axisymmetric (R-Z), and three-dimensional (X-Y-Z) coordinate systems.

The report focu ses on the modification of the optical properties of ice crystals due to atmospheric black car bon (BC) contamination : the objective is to advance the predictive capabilities of climate models through an improved understanding of the radiative properties of compound particles . The shape of the ice crystal (as commonly found in cirrus clouds and cont rails) , the volume fraction of the BC inclusion , and its location inside the crystal are the three factors examined in this study. In the multiscale description of this problem, where a small absorbing inclusion modifies the optical properties of a much la rger non - absorbing particle, state - of - the - art discretization techniques are combined to provide the best compromise of flexibility and accuracy over a broad range of sizes .

A study of n-dodecane atomization, following the prescribed unseating of the needle tip, is presented for a high-pressure, non-cavitating Bosch Diesel injector ("Spray A", in the Engine Combustion Network denomination). In the two simulations discussed here, the internal and external multiphase flows are seamlessly calculated across the injection orifice using an interface-capturing approach (for the liquid fuel surface) together with an embedded boundary formulation (for the injector's walls). This setting makes it possible to directly relate the liquid jet spray characteristics (under the assumption of sub-critical flow and with a grid resolution of 3 μm, or 1/30 of the orifice diameter) to the moving internal geometry of the injector. Another novelty is the capability of modeling the compressibility of the liquid and the gas phase while maintaining a sharp interface between the two. With an equation of state calibrated for n-dodecane, we briefly examine the difference in exit jet characteristics for adiabatic and isothermal wall conditions.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Kinetic theory is often used as a framework to derive moment equations for sprays, with considerable success in the case of a dilute spray in a fully resolved (DNS) gas field. In the prospect of computing LES of atomization with a spray solver, a formalism that accounts for the non-linear interaction between high-loading regions and turbulence at the subfilter level is needed. So we first introduce a kinetic theory frame, where the phase space is extended to space-filtered spray quantities. This rigorous formalism is a comprehensive baseline but it requires closures. Second we quantify segregation, through a priori DNS, as a relevant space-filtered quantity to account for the spray’s subfilter behavior. Third we discuss an assumption on the subfilter spray structures which allows the closure of drag, heating, and collisions from the sole knowledge of segregation.

Abstract not provided.