This report details model development, theory, and a literature review focusing on the emission of contaminants on solid substrates in fires. This is the final report from a 2-year Nuclear Safety Research and Development (NSRD) project. The work represents progress towards a goal of having modeling and simulation capabilities that are sufficiently mature and accurate that they can be utilized in place of physical tests for determining safe handling practices. At present, the guidelines for safety are largely empirically based, derived from a survey of existing datasets. This particular report details the development, verification and calibration of a number of code improvements that have been implemented in the SIERRA suite of codes, and the application of those codes to three different experimental scenarios that have been subject of prior tests. The first scenario involves a contaminated PMMA slab, which is exposed to heat. The modeling involved a novel method for simulating the viscous diffusion of the particles in the slab. The second scenario involved a small pool fire of contaminated combustible liquid mimicking historical tests and finds that the release of contaminants has a high functionality with the height of the liquid in the container. The third scenario involves the burning of a contaminated tray of shredded cellulose. A novel release mechanism was formulated based on predicted progress of the decomposition of the cellulose, and while the model was found to result in release that can be tuned to match the experiments, some modifications to the model are desirable to achieve quantitative accuracy.
This is the Sandia report from a joint NSRD project between Sandia National Labs and Savannah River National Labs. The project involved development of simulation tools and data intended to be useful for tritium operations safety assessment. Tritium is a synthetic isotope of hydrogen that has a limited lifetime, and it is found at many tritium facilities in the form of elemental gas (T2). The most serious risk of reasonable probability in an accident scenario is when the tritium is released and reacts with oxygen to form a water molecule, which is subsequently absorbed into the human body. This tritium oxide is more readily absorbed by the body and therefore represents a limiting factor for safety analysis. The abnormal condition of a fire may result in conversion of the safer T2 inventory to the more hazardous oxidized form. It is this risk that tends to govern the safety protocols. Tritium fire datasets do not exist, so prescriptive safety guidance is largely conservative and reliant on means other than testing to formulate guidelines. This can have a consequence in terms of expensive and/or unnecessary mitigation design, handling protocols, and operational activities. This issue can be addressed through added studies on the behavior of tritium under representative conditions. Due to the hazards associated with the tests, this is being approached mainly from a modeling and simulation standpoint and surrogate testing. This study largely establishes the capability to generate simulation predictions with sufficiently credible characteristics to be accepted for safety guidelines as a surrogate for actual data through a variety of testing and modeling activities.
This report summarizes a series of SIERRA/Fuego validation efforts of turbulent flow models on canonical wall-bounded configurations. In particular, direct numerical simulations (DNS) and large eddy simulations (LES) turbulence models are tested on a periodic channel, a periodic pipe, and an open jet for which results are compared to the velocity profiles obtained theoretically or experimentally. Velocity inlet conditions for channel and pipe flows are developed for application to practical simulations. To show this capability, LES is performed over complex terrain in the form of two natural hills and the results are compared with other flow solvers. The practical purpose of the report is to document the creation of inflow boundary conditions of fully developed turbulent flows for other LES calculations where the role of inflow turbulence is critical.
Momentum, advection, diffusion, and turbulence are component physics relating to fire simulation tools like computational fluid dynamics (CFD). Magnetic Resonance Velocimetry and Magnetic Resonance Concentration MRV/MRC techniques can produce heretofore unrivaled detailed measurements of three-component velocity and concentration fields in turbulent flows. This study exhibits 3D flow comparisons between velocity and concentration fields obtained using MRC/MRV and SIERRA/Fuego for an urban geometry based on a section of downtown Oklahoma City. A 1:2500 scale water flow scenario provides 0.8 mm resolution data. Various techniques are employed to quantify the accuracy of the simulation results. The techniques all generally suggest a good comparison between the model and experiments throughout the compared volume. The selected metrics provide benchmark accuracy measures that can be used to indicate quantitative accuracy of the simulations, as well as for targets for future simulation improvements.
Irradiance from a nuclear weapon can be the source of heat on gas infrastructure. This exposure when sufficiently intense can result in failure. An estimation tool for this behavior is the object of this study. A lumped capacity technique is employed to estimate the system temperature rise. The temperature rise is related to three possible outcomes. Two of the outcomes are relatively certain failure and relatively certain lack of effect. A large range of exposures are assessed with the model, and a relatively small number of cases are in the uncertain range. This model is presented as a tool that can be used in conjunction with a structural assessment model to sensitivities to the overpressure and shock to screen potential outcomes from subject events .
Data from four TGA experiments conducted at Sandia National Laboratories was used for determination of a pyrolysis model using a commercial thermokinetics program developed by Netzsch Instruments (Kinetics NEO, version 2.1). The data measured at 1 K/min and the average of three measurements at 50 K/min were used as input into Kinetics NEO. The model was developed using data in the range 373 to 773 K. An initial estimate of the energy of activation (E) and pre-exponential constant (A) were determined from the model-free Friedman approach.
This interim report details model development, theory, and a literature review focusing on the evaporation induced entrainment (sub-boiling) of contaminated liquids. Entrainment from a variety of sources is the topic of DOE Handbook 3010, and this report deals more broadly with fire related airborne sources of contaminants in hazardous operations. Relatively few studies have examined sub-boiling behavior in the past, however, it can be a phenomenon that presents a fire related risk under hazardous operations. Molecular dynamics simulations are used to infer the gaseous evolution of coordinated complexes, and a model for a water/plutonium/nitrate system is deduced from the simulation results by evaluating the statistical trends of the results. Questions remain as to the chemical reactivity and longevity of entrained species. A generalized computer model capability and simple analytical model assumptions are developed for predicting the results of these and other (boiling and solid entrainment) scenarios. Verification related predictions using these models are illustrated.
Pyrolysis of materials at high heat fluxes are less well-studied because the high heat flux regime is not as common to many practical fire applications. The fire behavior of organic materials in such an environment needs further characterization in order to construct models to predict the dynamics in this regime. The test regime is complicated because of the temperatures achieved and the speed at which materials decompose, due to the flux condition. A series of tests has been performed, which exposed a variety of materials to this environment. The resulting imagery from the tests provides some unique insights into the behavior of various materials at these conditions. Furthermore, experimental and processing techniques suggest analytical methods that can be employed to extract quantitative information from pyrolysis experiments.
A variety of energy sources produce intense radiative flux (»100 kW/m2) well beyond those typical of fire environments. Such energy sources include directed energy, nuclear weapons, and propellant fires. Studies of material response to irradiation typically focus on much lower heat flux; characterization of materials at extreme flux is limited. Various common cellulosic and synthetic-polymer materials were exposed to intense irradiation (up to 3 MW/m2) using the Solar Furnace at Sandia National Laboratories. When irradiated, these materials typically pyrolyzed and ignited after a short time (<1 s). The mass loss for each sample was recorded; the topology of the pyrolysis crater was reconstructed using a commercial three-dimensional scanner. The scans spatially resolved the volumetric displacement, mapping this response to the radially varying flux and fluence. These experimental data better characterize material properties and responses, such as the pyrolysis efflux rate, aiding the development of pyrolysis and ignition models at extreme heat flux.
The atmospheric dispersion of contaminants in the wake of a large urban structure is a challenging fluid mechanics problem of interest to the scientific and engineering communities. Magnetic Resonance Velocimetry (MRV) is a relatively new technique that leverages diagnostic equipment used primarily by the medical field to make 3D engineering measurements of flow and contaminant dispersal. SIERRA/Fuego, a computational fluid dynamics (CFD) code at Sandia National Labs is employed to make detailed comparisons to the dataset to evaluate the quantitative and qualitative accuracy of the model. The comparison exercise shows good comparison between model and experimental results, with the wake region downstream of the tall building presenting the most significant challenge to the quantitative accuracy of the model. Model uncertainties are assessed through parametric variations. Some observations are made in relation to the future utility of MDV and CFD, and some productive follow-on activities are suggested that can help mature the science of flow modeling and experimental testing.
Intense, dynamic radiant heat loads damage and ignite many common materials, but are outside the scope of typical fire studies. Explosive, directed-energy, and nuclear-weapon environments subject materials to this regime of extreme heating. The Solar Furnace at the National Solar Test Facility simulated this environment for an extensive experimental study on the response of many natural and engineered materials. Solar energy was focused onto a spot (∼10 cm2 area) in the center of the tested materials, generating an intense radiant load (∼100 kW m−2 –1000 kW m−2) for approximately 3 seconds. Using video photography, the response of the material to the extreme heat flux was carefully monitored. The initiation time of various events was monitored, including charring, pyrolysis, ignition, and melting. These ignition and damage thresholds are compared to historical ignition results predominantly for black, α-cellulose papers. Reexamination of the historical data indicates ignition behavior is predicted from simplified empirical models based on thermal diffusion. When normalized by the thickness and the thermal properties, ignition and damage thresholds exhibit comparable trends across a wide range of materials. This technique substantially reduces the complexity of the ignition problem, improving ignition models and experimental validation.
The surface topology of a solid subjected to destructive environments is often difficult to quantify. In thermal environments, the size and shape of the solid changes as it pyrolyzes, ablates, warps, or chars. Quantitative descriptions of such responses are valuable for data reporting and model validation. In this work, a three-dimensional scanner is evaluated for non-destructive material analysis. The scans spatially resolve the response of materials to a high-heat-flux environment. To account for the effect of distortion induced in thin materials, back-side scans of the sample are used to characterize the displacement of the bulk material. Data spanning the area of the sample, rather than using a net or average quantity, enhances the evaluation of the crater formed by the incident flux. The 3D reconstruction of the sample also provides the ability to perform volumetric calculations. The data obtained from this methodology may be useful for characterizing materials exposed to a variety of destructive environments.
Nuclear weapon airbursts can create extreme radiative heat fluxes for a short duration. The radiative heat transfer from the fireball can damage and ignite materials in a region that extends beyond the zone damaged by the blast wave itself. Directed energy weapons also create extreme radiative heat fluxes. These scenarios involve radiative fluxes much greater than the environments typically studied in flammability and ignition tests. Furthermore, the vast majority of controlled experiments designed to obtain material response and flammability data at high radiative fluxes have been performed at relatively small scales (order 10 cm2 area). A recent series of tests performed on the Solar Tower at the National Solar Thermal Test Facility exposed objects and materials to fluxes of 100 – 2,400 kW/m2 at a much larger scale (≈1 m2 area). This paper provides an overview of testing performed at the Solar Tower for a variety of materials including aluminum, fabric, and two types of plastics. Tests with meter-scale objects such as tires and chairs are also reported, highlighting some potential effects of geometry that are difficult to capture in small-scale tests. The aluminum sheet melted at the highest heat flux tested. At the same flux, the tire ignited but the flames were not sustained when the external heat flux was removed; the damage appeared to be limited to the outer portion of the tire, and internal pressure was maintained.
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.
In this work we have presented a particle resuspension model implemented in the SNL code SIERRA/Fuego, which can be used to model particle dispersal and resuspension from surfaces. The method demonstrated is applicable to a class of particles, but would require additional parametric fits or physics models for extension to other applications, such as wetted particles or walls. We have demonstrated the importance of turbulent variations in the wall shear stress when considering resuspension, and implemented both shear stress variation models and stochastic resuspension models (not shown in this work). These models can be used in simulations with of physically realistic scenarios to augment lab-scale DOE Handbook data for airborne release fractions and respirable fractions in order to provide confidences for safety analysts and facility designers to apply in their analyses at DOE sites. Future work on this topic will involve validation of the presented model against experimental data and extension of the empirical models to be applicable to different classes of particles and surfaces.
Safety basis analysts throughout the U.S. Department of Energy (DOE) complex rely heavily on the information provided in the DOE Hand book, DOE-HDBK-3010, Airborne Release Fractions/Rates and Resp irable Fractions for Nonreactor Nuclear Facilities , to determine source terms. In calcula ting source terms, analysts tend to use the DOE Handbook's bounding values on airbor ne release fractions (ARFs) and respirable fractions (RFs) for various cat egories of insults (representing potential accident release categories). This is typica lly due to both time constraints and the avoidance of regulatory critique. Unfort unately, these bounding ARFs/RFs represent extremely conservative values. Moreover, th ey were derived from very limited small- scale table-top and bench/labo ratory experiments and/or fr om engineered judgment. Thus the basis for the data may not be re presentative to the actual unique accident conditions and configura tions being evaluated. The goal of this res earch is to develop a more ac curate method to identify bounding values for the DOE Handbook using the st ate-of-art multi-physics-based high performance computer codes. This enable s us to better understand the fundamental physics and phenomena associated with the ty pes of accidents for the data described in it. This research has examined two of the DOE Handbook's liquid fire experiments to substantiate the airborne release frac tion data. We found th at additional physical phenomena (i.e., resuspension) need to be included to derive bounding values. For the specific cases of solid powder under pre ssurized condition and mechanical insult conditions the codes demonstrated that we can simulate the phenomena. This work thus provides a low-cost method to establis h physics-justified sa fety bounds by taking into account specific geometri es and conditions that may not have been previously measured and/or are too costly to do so.
Thermal analysts address a wide variety of applications requiring the simulation of radiation heat transfer phenomena. The re are gaps in the currently available modeling capabilities. Addressing these gaps w ould allow for the consideration of additional physics and increase confidence in simulation predictions. This document outlines a five year plan to address the current and future needs of the analyst community with regards to modeling radiation heat tran sfer processes. This plan represents a significant multi - year effort that must be supported on an ongoing basis.
This report consolidates technical information on several materials and material classes for a fire assessment. The materials include three polymeric materials, wood, and hydraulic oil. The polymers are polystyrene, polyurethane, and melamine- formaldehyde foams. Samples of two of the specific materials were tested for their behavior in a fire - like environment. Test data and the methods used to test the materials are presented. Much of the remaining data are taken from a literature survey. This report serves as a reference source of properties necessary to predict the behavior of these materials in a fire.