Publications

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This report presents multi-phase modeling approaches that are developed for simulating rubble fire scenarios similar to a large-scale rubble pool fire test at Sandia National Laboratories using composite materials and jet fuel. The rubble pool fire test burnt oddly shaped combustible solid objects submerged in liquid fuel. As an intermediate step toward a full scale rubble fire simulation, various model improvement tasks were performed. For modeling solid decomposition, a multi-step degradation model was used for canonical verification problems and the Chemical Percolation for Devolatilization (CPD) approach was implemented. Capabilities of Lagrangian particle approach has been extended such that a group of particles may represent a solid bulk. For gas-liquid interface, the volume of fluid (VOF) technique was implemented and relevant physics were added. The developed tools offer a potential for simulating three-phase (gas, liquid, and solid) combustion applications.

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The breakup of liquid drops is an important phenomenology for many applications. We approach this problem with the objective to improve methods for handling the modeling of the impulse and impact dispersal of liquids in transportation accident scenarios. These scenarios can be distinguished from many other simpler problems, due to the quantity of liquid and the complexity of the intermediate liquid morphology. These differences necessitate alternative approaches to the problem. We have recently implemented a model for inter-particle forces between particles in a Lagrangian/Eulerian CFD code. The inter-particle force model is inspired by molecular dynamics methods, and employs a Lennard-Jones (LJ) attractive force and a spring-based repulsive force. The LJ parameters are related to the bulk fluid properties through a theoretical relationship model. Methods are necessary for modifying the single particle aerodynamic drag term, depending on the new notion of particle connectivity. We want to evaluate these methods for potential utilization in practical simulations. Classical breakup tests for drops in flows suggest a critical Weber number relating to the onset of breakup for a drop. We seek to replicate these data with our model methods as a preliminary step before deploying the method in larger scale practical environments.

When exposed to a strong radiant heat source (>1,000 kW/m2), combustible materials pyrolyze and ignite under certain conditions. Studies of this nature are scarce, yet important for some applications. Pyrolysis models derived at lower flux conditions do not necessarily extrapolate well to high-heat-flux conditions. The material response is determined by a complex interplay of thermal and chemical transport phenomena, which are often difficult to model. To obtain model validation data at high-heat-flux conditions (up to 2500 kW/m2), experiments on a variety of organic and engineered materials were performed at the National Solar Thermal Test Facility at Sandia National Laboratories. Mass loss during the short duration (2-4 sec) heat pulse was determined using the pre- and post-test weight. The mass-loss data were fairly linear in the fluence range of 200-6000 kJ/m2. When divided into subsets based on material types, the mass loss was similar at the peak flux/fluence condition for engineered polymers (≈1 g) and organic materials (≈2.5 g), although some exceptions exist (PMMA, dry pine needles). Statistical correlations were generated and used to evaluate the significance of the observed trends. These results contribute to the validation data for simulating fires and ignition resulting from very high incident heat flux.

When exposed to a strong radiant heat source (>1,000 kW/m2), combustible materials pyrolyze and ignite under certain conditions. Studies of this nature are scarce, yet important for some applications. Pyrolysis models derived at lower flux conditions do not necessarily extrapolate well to high-heat-flux conditions. The material response is determined by a complex interplay of thermal and chemical transport phenomena, which are often difficult to model. To obtain model validation data at high-heat-flux conditions (up to 2500 kW/m2), experiments on a variety of organic and engineered materials were performed at the National Solar Thermal Test Facility at Sandia National Laboratories. Mass loss during the short duration (2-4 sec) heat pulse was determined using the pre- and post-test weight. The mass-loss data were fairly linear in the fluence range of 200-6000 kJ/m2. When divided into subsets based on material types, the mass loss was similar at the peak flux/fluence condition for engineered polymers (≈1 g) and organic materials (≈2.5 g), although some exceptions exist (PMMA, dry pine needles). Statistical correlations were generated and used to evaluate the significance of the observed trends. These results contribute to the validation data for simulating fires and ignition resulting from very high incident heat flux.

With growing use of carbon fiber-epoxy in transportation systems, it is important to understand fire reaction properties of the composite to ensure passenger safety. Recently, a micro-scale pyrolysis study and macro-scale fire tests were performed using carbon fiber-epoxy at Sandia National Laboratories. Current work focuses on numerical modeling of the material conversion, pyrolysis, and gas-phase combustion that replicate the experiments. Large-eddy simulations (LES) and eddy-dissipation concept (EDC) approach are incorporated in the gas phase along with multiple relevant reaction model methods in the solid phase. The numerical methods that use multi-step pyrolysis rate expressions are validated by thermogravimetric analysis (TGA) results. The pyrolyzed fuel components participate in gas-phase combustion using a turbulent combustion model. The multi-phase combustion capability was further assessed using two cases: a single particle reaction and a solid panel exposed to strong radiant heat. The panel fire test indicates that the model accurately reproduces panel temperature profile while a weaker oxidation is predicted.

Safety basis analysts throughout the U.S. Department of Energy (DOE) complex rely heavily on the information provided in the DOE Handbook, DOE - HDBK - 3010, Airborne Release Fractions/Rates and Respirable Fractions for Nonreactor Nuclear Facilities, to determine radionuclide source terms. In calculating source terms, analysts tend to use the DOE Handbook's bounding values on airborne release fractions (ARFs) and respirable fractions (RFs) for various categories of insults (representing potential accident release categories). This is typically due to both time constraints and the avoidance of regulatory critique. Unfortunately, these bounding ARFs/RFs represent extremely conservative values. Moreover, they were derived from very limited small-scale bench/laboratory experiments and/or from engineered judgment. Thus, the basis for the data may not be representative of the actual unique accident conditions and configurations being evaluated. The goal of this research is to develop a more accurate and defensible method to determine bounding values for the DOE Handbook using state-of-art multi-physics-based computer codes. This enables us to better understand the fundamental physics and phenomena associated with the types of accidents in the handbook. In this year, this research included improvements of the high-fidelity codes to model particle resuspension and multi-component evaporation for fire scenarios. We also began to model ceramic fragmentation experiments, and to reanalyze the liquid fire and powder release experiments that were done last year. The results show that the added physics better describes the fragmentation phenomena. Thus, this work provides a low-cost method to establish physics-justified safety bounds by taking into account specific geometries and conditions that may not have been previously measured and/or are too costly to perform.

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