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With the rapid development of electric vehicles, the demands for lithium-ion batteries and advanced battery technologies are growing. Today, lithium-ion batteries mainly use liquid electrolytes, containing organic compounds such as dimethyl carbonate and ethylene carbonate as solvents for the lithium salts. However, when thermal runaway occurs, the electrolyte decomposes, venting combustible gases that could readily be ignited when mixed with air and leading to pronounced heat release from the combustion of the mixture. So far, the chemical behavior of electrolytes during thermal runaway in lithium-ion batteries is not comprehensively understood. Well-validated compact chemical kinetic mechanisms of the electrolyte components are required to describe this process in CFD simulations. In this work, submechanisms of dimethyl carbonate and ethylene carbonate were developed and adopted in the Ansys Model Fuel Library (MFL).

Carbon-neutral (CN) fuels will be part of the solution to reducing global warming effects of the transportation sector, along with electrification. CN fuels such as hydrogen, ammonia, biofuels, and e-fuels can play a primary role in some segments (aviation, shipping, heavy-duty road vehicles) and a secondary role in others (light-duty road vehicles). The composition and properties of these fuels vary substantially from existing fossil fuels. Fuel effects on performance and emissions are complex, especially when these fuels are blended with fossil fuels. Predictively modeling the combustion of these fuels in engine and combustor CFD simulations requires accurate representation of the fuel blends. We discuss a methodology for matching the targeted fuel properties of specific CN fuels, using a blend of surrogate fuel components, to form a fuel model that can accurately capture fuel effects in an engine simulation.

This paper presents the current state of a three-layer surface icing model for ice crystal icing risk assessment in aircraft engines, being developed jointly by Ansys and Honeywell to account for possible heat transfer from inside an engine into the flow path where ice accretion occurs. The bottom layer of the proposed model represents a thin metal sheet as a substrate surface to conductively transfer heat from an engine-internal reservoir to the ice layer. The middle layer is accretion ice with a porous structure able to hold a certain amount of liquid water. A shallow water film layer on the top receives impinged ice crystals. A mass and energy balance calculation for the film determines ice accretion rate. Water wicking and recovery is introduced to transfer liquid water between film layer and porous ice accretion layer.

With the emphasis of electrification in automotive industry, tremendous efforts are made to develop electric motors with high efficiency and power density, and reduce noise, vibration and harshness (NVH). A multiphysics simulation workflow is used to predict the eccentricity-induced noise for GM’s Bolt EV motor. Both static and dynamic eccentricities are investigated along with axial tilt. Analysis results show that these eccentricities play a critical role in the NVH behavior of the motor assembly. Transient electromagnetic (EM) analysis is performed first by extruding 2D stator and rotor sections to form 3D EM models. Sector model is duplicated to form full 360-degree model. Stator is split into three rotated sections to characterize stator skew, and the skew between two sections of rotor and magnets are also modelled. Sinusoidal current is applied and lumped-sum forces on each stator tooth are computed.

Accurate modeling of the characteristics of diesel-engine combustion leads to more efficient design. Accurate modeling in turn depends on correctly capturing spray dynamics, turbulence, and fuel chemistry. This work presents a computational fluid dynamics (CFD) investigation of a well characterized small-bore direct injection diesel engine at Sandia National Laboratories’ Combustion Research Facility. The engine has been studied for two piston-bowls geometries and various injection timings. Simulation of these conditions test the predictive capabilities of our approach to diesel engine modeling using Ansys Forte. An experimental database covering a wide range of operating conditions is provided by the Engine Combustion Network for this engine, which is used to validate our modeling approach. Automatic and solution-adaptive meshing is used, and the recommended settings are discussed.

Accurately predicting the evolution of soot mass and soot particle numbers under engine conditions is critical to advanced engine design. A detailed soot-chemistry model that can capture soot under gasoline and diesel conditions without tuning is necessary for such predictions. Building confidence in the predictive usage of the chemistry in engine simulations requires validating the soot kinetics over a wide range of operating conditions and fuels, using data from different experimental techniques, and using sources from laboratory flames to engines. This validation study focuses on a soot-chemistry model that considers multiple nucleation, growth, and oxidation reaction pathways. It involves 14 gas-phase precursors and considers the effect of different soot-particle surface sites.

An experimental investigation of non-intrusive combustion sensing was performed using a tri-axial accelerometer mounted to the engine block of a small-bore high-speed 4-cylinder compression-ignition direct-injection (CIDI) engine. This study investigates potential techniques to extract combustion features from accelerometer signals to be used for cycle-to-cycle engine control. Selection of accelerometer location and vibration axis were performed by analyzing vibration signals for three different locations along the block for all three of the accelerometer axes. A magnitude squared coherence (MSC) statistical analysis was used to select the best location and axis. Based on previous work from the literature, the vibration signal filtering was optimized, and the filtered vibration signals were analyzed. It was found that the vibration signals correlate well with the second derivative of pressure during the initial stages of combustion.

This work explores the effectiveness of common rail fuel injectors equipped with Grouped Hole Nozzles (GHNs) in aiding the mixing process and reducing particulate matter (PM) emissions of Conventional Diesel Combustion (CDC) engines, while maintaining manageable Oxides of Nitrogen (NOx) levels. Parallel (pGHN), converging (cGHN) and diverging (dGHN) - hole GHNs were studied and the results were compared to a conventional, single hole nozzle (SHN) with the same flow area. The study was conducted on a single cylinder medium-duty engine to isolate the effects of the combustion from multi-cylinder effects and the conditions were chosen to be representative of a typical mid-load operating point for an on-road diesel engine. The effects of injection pressure and the Start of Injection (SOI) timing were explored and the tradeoffs between these boundary conditions are examined by using a response surface fitting technique, to identify an optimum operating condition.

A CFD simulation methodology is presented to evaluate the ice that sheds from rotating components. The shedding detection is handled by coupling the ice accretion and stress analysis solvers to periodically check for the propagation of crack fronts and possible detachment. A novel approach for crack propagation is highlighted where no change in mesh topology is required. The entire computation from flow to impingement, ice accretion and crack analysis only requires a single mesh. The accretion and stress module are validated individually with published data. The analysis is extended to demonstrate potential shedding scenarios on three complex industrially-relevant 3D cases: a helicopter blade, an engine fan blade and a turboprop propeller. The largest shed fragment will be analyzed in the context of FOD damage to neighboring aircraft/component surfaces.

The importance of the variation of relative humidity across turbomachinery engine components for in-flight icing is shown by numerical analysis. A species transport equation for vapor has been added to the existing CFD methodology for the simulation of ice growth and water flow on engine components that are subject to ice crystal icing. This entire system couples several partial differential equations that consider heat and mass transfer between droplets, crystals and air, adding the cooling of the air due to particle evaporation to the icing simulation, increasing the accuracy of the evaporative heat fluxes on wetted walls. Three validation cases are presented for the new methodology: the first one compares with the numerical results of droplets traveling inside an icing tunnel with an existing evaporation model proposed by the National Research Council of Canada (NRC).

Sector mesh modeling is the dominant computational approach for combustion system design optimization. The aim of this work is to quantify the errors descending from the sector mesh approach through three geometric modeling approaches to an optical diesel engine. A full engine geometry mesh is created, including valves and intake and exhaust ports and runners, and a full-cycle flow simulation is performed until fired TDC. Next, an axisymmetric sector cylinder mesh is initialized with homogeneous bulk in-cylinder initial conditions initialized from the full-cycle simulation. Finally, a 360-degree azimuthal mesh of the cylinder is initialized with flow and thermodynamics fields at IVC mapped from the full engine geometry using a conservative interpolation approach. A study of the in-cylinder flow features until TDC showed that the geometric features on the cylinder head (valve tilt and protrusion into the combustion chamber, valve recesses) have a large impact on flow complexity.

The long-term goal of this work is to develop a conceptual model for multiple injections of diesel jets. The current work contributes to that effort by performing a detailed modeling investigation into mechanisms that are predicted to control 1st and 2nd stage ignition in single-pulse diesel (n-dodecane) jets under different conditions. One condition produces a jet with negative ignition dwell that is dominated by mixing-controlled heat release, and the other, a jet with positive ignition dwell and dominated by premixed heat release. During 1st stage ignition, fuel is predicted to burn similarly under both conditions; far upstream, gases at the radial-edge of the jet, where gas temperatures are hotter, partially react and reactions continue as gases flow downstream. Once beyond the point of complete fuel evaporation, near-axis gases are no longer cooled by the evaporation process and 1st stage ignition transitions to 2nd stage ignition.

Aromatics constitute a significant portion of refinery fuels. Characterizing the impact of various aromatic components on combustion and emissions facilitates formulation of surrogate fuels for engine simulations. The impact of blending aromatics in fuel surrogates is usually nonlinear for ignition characteristics responsible for knocking in spark engines and for combustion phasing in diesel engines. In this work, we have characterized the behavior of nine aromatics components under engine-relevant conditions. A self-consistent and validated detailed kinetics mechanism has been developed for gasoline and diesel surrogates that contains toluene, ethylbenzene, n-propylbenzene, n-butylbenzene, isomers of xylene, 1,2,4-trimethylbenzene, and 1-methylnaphthalene. Numerical experiments using 0-D and 1-D models have been performed to study the relative behavior of these aromatics for different reacting conditions.

Engine experiments have revealed the importance of fuel condensation on the emission characteristics of low temperature combustion. However, direct in-cylinder experimental evidence has not been reported in the literature. In this paper, the in-cylinder condensation processes observed in optically accessible engine experiments are first illustrated. The observed condensation processes are then simulated using state-of-the-art multidimensional engine CFD simulations with a phase transition model that incorporates a well-validated phase equilibrium numerical solver, in which a thermodynamically consistent phase equilibrium analysis is applied to determine when mixtures become unstable and a new phase is formed. The model utilizes fundamental thermodynamics principles to judge the occurrence of phase separation or combination by minimizing the system Gibbs free energy.

Surface film formation is an important phenomenon during spray impingement in a combustion chamber. The film that forms on the chamber walls and piston bowl produces soot post-combustion. While some droplets stick to the wall surface, others splash and interact with the gas present inside the combustion chamber. Accurate prediction of both the film thickness and splashed mass is crucial for surface film model development since it leads to a precise estimation of the amount of soot and other exhaust gases formed. This information could guide future studies aimed at a comprehensive understanding of the combustion process and might enable development of engines with reduced emissions. Dynamic structure Large Eddy Simulation (LES) turbulence model implemented for in-cylinder sprays [1] has shown to predict the flow structure of a spray more accurately than the Reynolds-averaged Navier-Stokes turbulence model.

Diesel piston bowl geometry can affect turbulent mixing and therefore it impacts heat-release rates, thermal efficiency, and soot emissions. The focus of this work is on the effects of bowl geometry and injection timing on turbulent flow structure. This computational study compares engine behavior with two pistons representing competing approaches to combustion chamber design: a conventional, re-entrant piston bowl and a stepped-lip piston bowl. Three-dimensional computational fluid dynamics (CFD) simulations are performed for a part-load, conventional diesel combustion operating point with a pilot-main injection strategy under non-combusting conditions. Two injection timings are simulated based on experimental findings: an injection timing for which the stepped-lip piston enables significant efficiency and emissions benefits, and an injection timing with diminished benefits compared to the conventional, re-entrant piston.

Modeling ignition kernel development in spark ignition engines is crucial to capturing the sources of cyclic variability, both with RANS and LES simulations. Appropriate kernel modeling must ensure that energy transfer from the electrodes to the gas phase has the correct timing, rate and locations, until the flame surface is large enough to be represented on the mesh by the G-Equation level-set method. However, in most kernel models, geometric details driving kernel growth are missing: either because it is described as Lagrangian particles, or because its development is simplified, i.e., down to multiple spherical flames. This paper covers the geometric aspects of kernel development, which makes up the core of a Triangulated Lagrangian Ignition Kernel model. One (or multiple, if it restrikes) spark channel is initialized as a one-dimensional Lagrangian particle thread.

The effect of direct-injected fuel on particle size distributions (PSDs) of particulate matter emitted from dual-fuel combustion strategies was investigated. The PSD data were acquired from a light-duty single-cylinder diesel engine operated using conventional diesel combustion (CDC) and two diesel/natural gas dual-fuel combustion strategies. Three different direct-injection (DI) fuels (diesel, 2,6,10-trimethyldodecane, and a primary reference fuel blend) and two different injector nozzles were studied. The DI fuels were chosen to have similar energy and ignition characteristics (heat of combustion and cetane number) but different physical and chemical properties (volatility, aromatics %, viscosity, density). The two nozzles (with different orifice diameter and spray angle) allowed a wide range in DI fuel quantity for the dual-fuel combustion strategies.

Emissions from Diesel engines have been a major concern for many years, particularly with regards to the impact of NOx and particulate matter on human health. Exhaust gas re-circulation (EGR) is a widely used method in diesel engines for controlling NOx production. While EGR rates can be varied to ensure engine performance and reduce NOx emissions, EGR also influences the ignition delay, reduces the peak combustion temperature and increases particulate emissions. Moreover, the injection timing directly affects NOx and particulate emissions under the broad and highly variable operating conditions. An effective CFD-based design tool for diesel engines must therefore include robust and accurate predictive capabilities for combustion and pollutant formation, to address the complex design tradeoffs. The objective of the present study is to evaluate CFD modeling of diesel engine combustion and emissions for various combinations of EGR rates and injection timings.

Cycle-to-cycle variation in combustion phasing and combustion rate cause knock to occur differently in every cycle. This is found to be true even if the end gas thermo-chemical time history is the same. Three cycles are shown that have matched combustion phasing, combustion rate, and time of knock onset, but have knock intensity that differs by a factor of six. Thus, the prediction of knock intensity must include a stochastic component. It is shown that there is a relationship between the maximum possible knock intensity and the unburned fuel energy at the time of knock onset. Further, for a small window of unburned energy at knock onset, the probability density function of knock intensity is self similar when scaled by the 95th percentile of the cumulative distribution, and log-normal in shape.