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DOE OSTI2023

Computational model development and validation of fuel dispersal phenomena

As the US nuclear industry is renewing efforts to extend the rod average burnup limits in existing pressurized water reactors, it becomes imperative to investigate the safety implications associated with high burnup fuel fragmentation and the potential dispersal of fragmented fuel into the reactor coolant system. Additionally, as there is a growing interest in transitioning to new nuclear fuel designs to accommodate higher fuel burnup levels, it becomes essential to conduct studies on fuel behavior during design basis accident scenarios, particularly during a postulated loss-of-coolant accident, in order to ensure the safe operation of light-water reactors. The present study develops a computational model to simulate the complex three-phase flow of the fuel dispersal phenomena that occur following a breach in the cladding, when the stream of solid fuel particles and carrier fission gas stream may interact with the surrounding liquid medium. Furthermore, the proposed framework considers the solid phase as discrete Lagrangian particles while the interpenetrating gas–liquid continuum is modeled using a Eulerian framework. The developed simulation framework is validated with experimental results performed in a separate-effect test facility by comparing predicted particle settlement locations with the experimental observations reported in the literature. Key highlights of this study include the interpretation of the high-pressure boundary conditions and the three-phase flow coupling strategy. Also discussed are the gas–liquid hydrodynamics and the behavior of particles as they are transported through the gas and liquid phases.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2015

An Internal Thermal Environment Model of an Aluminized Solid Rocket Motor with Experimental Validation

Due to the severity of the internal solid rocket motor (SRM) environment, very few direct measurements of that environment exist; therefore, the appearance of such data provides a unique opportunity to assess current thermal/fluid modeling capabilities. As part of a previous study of SRM internal insulation performance, the internal thermal environment of a laboratory-scale SRM featuring aluminized propellant was characterized with two types of custom heat-flux calorimeters: one that measured the total heat flux to a graphite slab within the SRM chamber and another that measured the thermal radiation flux. Therefore, in the current study, a thermal/fluid model of this lab-scale SRM was constructed using ANSYS Fluent to predict not only the flow field structure within the SRM and the convective heat transfer to the interior walls, but also the resulting dispersion of alumina droplets and the radiative heat transfer to the interior walls. The dispersion of alumina droplets within the SRM chamber was determined by employing the Lagrangian discrete phase model that was fully coupled to the Eulerian gas-phase flow. The P1-approximation was engaged to model the radiative heat transfer through the SRM chamber where the radiative contributions of the gas phase were ignored and the aggregate radiative properties of the alumina dispersion were computed from the radiative properties of its individual constituent droplets, which were sourced from literature. The convective and radiative heat fluxes computed from the thermal/fluid model were then compared with those measured in the lab-scale SRM test firings and the modeling approach evaluated.

Martin, Heath T.↗

DOE OSTI2020

A Lagrangian perturbation theory in the presence of massive neutrinos

We develop a Lagrangian Perturbation Theory (LPT) framework to study the clustering of cold dark matter (CDM) in cosmologies with massive neutrinos. We follow the trajectories of CDM particles with Lagrangian displacements fields up to third order in perturbation theory. Once the neutrinos become non-relativistic, their density fluctuations are modeled as being proportional to the CDM density fluctuations, with a scale-dependent proportionality factor. This yields a gravitational back-reaction that introduces additional scales to the linear growth function, which is accounted for in the higher order LPT kernels. Through non-linear mappings from Eulerian to Lagrangian frames, we ensure that our theory has a well behaved large scale behavior free of unwanted UV divergences, which are common when neutrino and CDM densities are not treated on an equal footing, and in resummation schemes that manifestly break Galilean invariance. We use our theory to construct correlation functions for both the underlying matter field, as well as for biased tracers using ConvolutionLPT. Redshift-space distortions effects are modeled using the Gaussian Streaming Model. When comparing our analytical results to simulated data from the Quijote 1 simulation suite, we find good accuracy down to r = 20 Mpc h -1 at redshift z = 0.5, for the real space and redshift space monopole particle correlation functions with no free parameters. The same accuracy is reached for the redshift space quadrupole if we additionally consider an effective field theory parameter that shifts the pairwise velocity dispersion. For modeling the correlation functions of tracers we adopt a simple Lagrangian biasing scheme with only density and curvature operators, which we find sufficient to reach down to r = 20 Mpc h -1 when comparing to simulated halos.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Comparison of atmospheric radionuclide dispersion models for a risk-informed consequence-driven advanced reactor licensing framework

Current nuclear facility emergency planning zones (EPZs) are based on outdated distance-based criteria, predating comprehensive dose and risk-informed frameworks. Recent advancements in simulation tools have permitted the development of site-specific, dose, and risk-based consequence-driven assessment frameworks. This study investigated the computation of advanced reactor (AR) EPZs using two atmospheric dispersion models: a straight-line Gaussian plume model (GPM) and a semi-Lagrangian Particle in Cell (PIC). Two case studies were conducted: (1) benchmarking the NRC SOARCA study for the Peach Bottom Nuclear Generating Station and (2) analyzing an advanced INL Heat Pipe Design A microreactor's end-of-cycle inventory. The dose criteria for both cases were 10 mSv at mean weather conditions and 50 mSv at 95th percentile weather conditions at 96 h post-release. Results demonstrated that GPM and PIC estimated similar mean peak dose levels for large boiling water reactors in the farfield case, placing EPZ limits beyond current regulations. For ARs with source terms remaining in the nearfield, PIC modeling without specific nearfield considerations could result in excessively high doses and inaccurate EPZ designations. PIC dispersion demonstrated an order of magnitude higher estimate of nearfield inhalation dose contribution when compared to GPM results. Furthermore, both models significantly reduced EPZ sizing within the nearfield. Thus, reductions in the AR source term may eliminate the need for a separate EPZ.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

NASA NTRS1991

A detailed numerical investigation of Burke-Schumann gaseous and spray flames

The classical Burke-Schumann gaseous diffusion flame, and the effect of introducing fuel in the form of liquid sprays are investigated numerically. The time-dependent two-dimensional, axisymmetric conservation equations are solved for the gas phase. A Lagrangian approach is used for the dispersed phase. The chemical reactions are modeled through the one-step global reaction scheme. The numerical results show that the computed flame structure is significantly different from that given by the analytical solution. The computed flame is about 15 percent longer and 5 percent narrower than the classical Burke-Schumann flame. The predicted flame shape is, however, in better agreement with experimental observations than the Burke-Schumann flame. The effects of introducing liquid sprays is found to produce thinner and longer flames than its counterpart gaseous flame. A detailed comparison of the structures of gaseous and spray flames is made, and the differences are discussed.

Mawid, M. A.↗

NASA NTRS2001

Feasibility of Surfactant-Free Supported Emulsion Liquid Membrane Extraction

Supported emulsion liquid membrane (SELM) is an effective means to conduct liquid-liquid extraction. SELM extraction is particularly attractive for separation tasks in the microgravity environment where density difference between the solvent and the internal phase of the emulsion is inconsequential and a stable dispersion can be maintained without surfactant. In this research, dispersed two-phase flow in SELM extraction is modeled using the Lagrangian method. The results show that SELM extraction process in the microgravity environment can be simulated on earth by matching the density of the solvent and the stripping phase. Feasibility of surfactant-free SELM (SFSELM) extraction is assessed by studying the coalescence behavior of the internal phase in the absence of the surfactant. Although the contacting area between the solvent and the internal phase in SFSELM extraction is significantly less than the area provided by regular emulsion due to drop coalescence, it is comparable to the area provided by a typical hollow-fiber membrane. Thus, the stripping process is highly unlikely to become the rate-limiting step in SFSELM extraction. SFSELM remains an effective way to achieve simultaneous extraction and stripping and is able to eliminate the equilibrium limitation in the typical solvent extraction processes. The SFSELM design is similar to the supported liquid membrane design in some aspects.

Hu, Shih-Yao B.↗

NASA NTRS1993

Fuel injector: Air swirl characterization aerothermal modeling, phase 2, volume 1

A well integrated experimental/analytical investigation was conducted to provide benchmark quality relevant to a prefilming type airblast fuel nozzle and its interaction with the combustor dome air swirler. The experimental investigation included a systematic study of both single-phase flows that involved single and twin co-axial jets with and without swirl. A two-component Phase Doppler Particle Analyzer (PDPA) was used to document the interaction of single and co-axial air jets with glass beads that simulate nonevaporating spray and simultaneously avoid the complexities associated with fuel atomization processes and attendant issues about the specification of relevant boundary conditions. The interaction of jets with methanol spray produced by practical airblast nozzle was also documented in the spatial domain of practical interest. Model assessment activities included the use of three turbulence models (k-epsilon, algebraic second moment (ASM), and differential second moment (DSM)) for the carrier phase, deterministic or stochastic Lagrangian treatment of the dispersed phase, and advanced numerical schemes. Although qualitatively good comparison with data was obtained for most of the cases investigated, the model deficiencies in regard to modeled dissipation rate transport equation, single length scale, pressure-strain correlation, and other critical closure issues need to be resolved before one can achieve the degree of accuracy required to analytically design combustion systems.

Nikjooy, M.↗

NASA NTRS1993

Fuel Injector: Air swirl characterization aerothermal modeling, phase 2, volume 2

A well integrated experimental/analytical investigation was conducted to provide benchmark quality data relevant to prefilming type airblast fuel nozzle and its interaction with combustor dome air swirler. The experimental investigation included a systematic study of both single-phase flows that involved single and twin co-axial jets with and without swirl. A two-component Phase Doppler Particle Analyzer (PDPA) equipment was used to document the interaction of single and co-axial air jets with glass beads that simulate nonevaporating spray and simultaneously avoid the complexities associated with fuel atomization processes and attendant issues about the specification of relevant boundary conditions. The interaction of jets with methanol spray produced by practical airblast nozzle was also documented in the spatial domain of practical interest. Model assessment activities included the use of three turbulence models (k-epsilon, algebraic second moment (ASM) and differential second moment (DSM)) for the carrier phase, deterministic or stochastic Lagrangian treatment of the dispersed phase, and advanced numerical schemes. Although qualitatively good comparison with data was obtained for most of the cases investigated, the model deficiencies in regard to modeled dissipation rate transport equation, single length scale, pressure-strain correlation, and other critical closure issues need to be resolved before one can achieve the degree of accuracy required to analytically design combustion systems.

Nikjooy, M.↗

NASA NTRS1991

Calculations of particle-laden flows by second-moment closures

A differential second-moment closure is applied to calculate nonswirling turbulent particle-laden jet flow. The closure is effected by extending constant-density single-phase turbulence models to the continuous (carrier) phase of two-phase flow. The dispersed (discrete) phase is treated by stochastic-Lagrangian technique. To reduce the effects of numerical (false) diffusion on the predicted results, a higher order differencing scheme, namely the flux-spline, is employed. In addition, an experimental study is conducted to provide data of good quality, especially near the inlet, for model assessment. The experiment consists of a confined coaxial jet flow of air with glass beads. The beads' diameter is 105 microns and is injected from the inner jet with a mass loading ratio of 0.9. The computed results are in good agreement with experimental data, especially for the carrier phase. However, the predicted turbulence fluctuations associated with the discrete phase are lower than the data at the downstream region of the flow field.

Nikjooy, M.↗

NASA NTRS2000

Age-of-Air, Tape Recorder, and Vertical Transport Schemes

A numerical-analytic investigation of the impacts of vertical transport schemes on the model simulated age-of-air and the so-called 'tape recorder' will be presented using an idealized 1-D column transport model as well as a more realistic 3-D dynamical model. By comparing to the 'exact' solutions of 'age-of-air' and the 'tape recorder' obtainable in the 1-D setting, useful insight is gained on the impacts of numerical diffusion and dispersion of numerical schemes used in global models. Advantages and disadvantages of Eulerian, semi-Lagrangian, and Lagrangian transport schemes will be discussed. Vertical resolution requirement for numerical schemes as well as observing systems for capturing the fine details of the 'tape recorder' or any upward propagating wave-like structures can potentially be derived from the 1-D analytic model.

Lin, S.-J.↗

NASA NTRS1992

Stratospheric aircraft exhaust plume and wake chemistry studies

This report documents progress to date in an ongoing study to analyze and model emissions leaving a proposed High Speed Civil Transport (HSCT) from when the exhaust gases leave the engine until they are deposited at atmospheric scales in the stratosphere. Estimates are given for the emissions, summarizing relevant earlier work (CIAP) and reviewing current propulsion research efforts. The chemical evolution and the mixing and vortical motion of the exhaust are analyzed to track the exhaust and its speciation as the emissions are mixed to atmospheric scales. The species tracked include those that could be heterogeneously reactive on the surfaces of the condensed solid water (ice) particles and on exhaust soot particle surfaces. Dispersion and reaction of chemical constituents in the far wake are studied with a Lagrangian air parcel model, in conjunction with a radiation code to calculate the net heating/cooling. Laboratory measurements of heterogeneous chemistry of aqueous sulfuric acid and nitric acid hydrates are also described. Results include the solubility of HCl in sulfuric acid which is a key parameter for modeling stratospheric processing. We also report initial results for condensation of nitric acid trihydrate from gas phase H2O and HNO3.

Miake-Lye, R. C.↗

NASA NTRS1990

A computationally efficient model for turbulent droplet dispersion in spray combustion

A novel model for turbulent droplet dispersion is formulated having significantly improved computational efficiency in comparison to the conventional point source stochastic sampling methodology. In the proposed model, a computational parcel representing a group of physical particles is considered to have a normal (Gaussian) probability density function (PDF) in three-dimensional space. The mean of each PDF is determined by Lagrangian tracking of each computational parcel, either deterministically or stochastically. The variance is represented by a turbulence-induced mean squared dispersion which is based on statistical inferences from the linearized direct modeling formulation for particle/eddy interactions. Convolution of the computational parcel PDF's produces a single PDF for the physical particle distribution profile. The validity of the new model is established by comparison with the conventional stochastic sampling method, where in each parcel is represented by a delta function distribution, for non-evaporating particles injected into simple turbulent air flows.

Litchford, Ron J.↗

NASA NTRS2009

Configuring a Graphical User Interface for Managing Local HYSPLIT Model Runs Through AWIPS

Responding to incidents involving the release of harmful airborne pollutants is a continual challenge for Weather Forecast Offices in the National Weather Service. When such incidents occur, current protocol recommends forecaster-initiated requests of NOAA's Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model output through the National Centers of Environmental Prediction to obtain critical dispersion guidance. Individual requests are submitted manually through a secured web site, with desired multiple requests submitted in sequence, for the purpose of obtaining useful trajectory and concentration forecasts associated with the significant release of harmful chemical gases, radiation, wildfire smoke, etc., into local the atmosphere. To help manage the local HYSPLIT for both routine and emergency use, a graphical user interface was designed for operational efficiency. The interface allows forecasters to quickly determine the current HYSPLIT configuration for the list of predefined sites (e.g., fixed sites and floating sites), and to make any necessary adjustments to key parameters such as Input Model. Number of Forecast Hours, etc. When using the interface, forecasters will obtain desired output more confidently and without the danger of corrupting essential configuration files.

Wheeler, mark M.↗

NASA NTRS1991

Simulation of the Pinatubo aerosol cloud in general circulation model

The global transport and dispersion of the Pinatubo aerosol cloud are simulated by means of a high-resolution stratospheric version of the NCAR Community Climate Model (CCM2) with an annual cycle. A passive tracer was injected into the model stratosphere over the Philippine Islands on June 15, and the transport was simulated for 180 d using an accurate semi-Lagrangian advection scheme. The simulated volcanic aerosol cloud initially drifted westward and expanded in longitude and latitude. The bulk of the aerosol cloud dispersed zonally to form a continuous belt in longitude, and remained confined to the tropics, centered near the 20-mb level for the entire 180-d model run, although a small amount was transported episodically into the upper troposphere in association with convective disturbances. Aerosol transported to the troposphere was dispersed within a few weeks into the Northern Hemisphere extratropics. In the Southern Hemisphere, the aerosol was mixed into the region equatorward of the core of the polar night jet during the first 50 d, but penetration into southern polar latitudes was delayed until the final warming in November.

Boville, Byron A.↗

NASA NTRS1991

Evaluation of an efficient statistical transport model for turbulent droplet dispersion in dilute combusting sprays

Evaluation of an efficient statistical transport model for turbulent droplet dispersion is made for a dilute spray of methanol droplets injected into a turbulent, axisymmnetric methane-fuelled diffusion flame burning in stagnant air. In the dispersion model, a computational parcel representing a group of physical particles (droplets) is considered to have a normal probability density function (pdf) in space. The mean is determined by Lagrangian tracking through a sequence of stochastically generated turbulent eddies and the variance is evaluated from a statistical formulation based on the linearized particle equations of motion. The basic validity of this model is established through comparison with available experimental data and with theoretical predictions using a conventional stochastic direct modeling approach. The conclusion of the evaluation is that the proposed dispersion model compares favorably with experimental data and provides a valid technique for simulating turbulent combusting sprays with significant computational savings over conventional methods.

Litchford, Ron J.↗

DOE OSTI2023

Initial overview, description, and assessment of the DELFIC atmospheric transport model

We present an overview and description of the atmospheric transport model (ATM) component of the Defense Land Fallout Interpretative Code (DELFIC) and its revision history. In particular, we discuss the hybrid Eulerian-Lagrangian model of the DELFIC diffusive transport module (DTM), its assumptions and constraints, and assess its capability for modeling the transport, dispersion, and deposition of nuclear fallout debris. This hybrid model is an efficient transport model for the wide range of particle sizes found in nuclear fallout debris. Furthermore, we validate the 1979 version of DELFIC using the 1979 test case input and output presented in its documentation. Except for some rounding differences and exposure rate differences from the OPM, the DTM output is in very good agreement with the 1979 results. Overall, the DELFIC DTM provides a reasonable and rapid approximation to the transport and deposition of local nuclear fallout debris.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2006

Simulations of Sea-Ice Dynamics Using the Material-Point Method

In recent years, the availability of large volumes of recorded ice motion derived from high-resolution SAR data has provided an amazingly detailed look at the deformation of the ice cover. The deformation is dominated by the appearance of linear kinematic features that have been associated with the presence of leads. These remarkable data put us in a position to begin detailed evaluation of current coupled mechanical and thermodynamic models of sea ice. This presentation will describe the material point method (MPM) for solving these model equations. MPM is a numerical method for continuum mechanics that combines the best aspects of Lagrangian and Eulerian discretizations. The material points provide a Lagrangian description of the ice that models convection naturally. Thus, properties such as ice thickness and compactness are computed in a Lagrangian frame and do not suffer from errors associated with Eulerian advection schemes, such as artificial diffusion, dispersion, or oscillations near discontinuities. This desirable property is illustrated by solving transport of ice in uniform, rotational and convergent velocity fields. Moreover, the ice geometry is represented by unconnected material points rather than a grid. This representation facilitates modeling the large deformations observed in the Arctic, as well as localized deformation along leads, and admits a sharp representation of the ice edge. MPM also easily allows the use of any ice constitutive model. The versatility of MPM is demonstrated by using two constitutive models for simulations of wind-driven ice. The first model is a standard viscous-plastic model with two thickness categories. The MPM solution to the viscous-plastic model agrees with previously published results using finite elements. The second model is a new elastic-decohesive model that explicitly represents leads. The model includes a mechanism to initiate leads, and to predict their orientation and width. The elastic-decohesion model can provide similar overall deformation as the viscous-plastic model; however, explicit regions of opening and shear are predicted. Furthermore, the efficiency of MPM with the elastic-decohesive model is competitive with the current best methods for sea ice dynamics. Simulations will also be presented for an area of the Beaufort Sea, where predictions can be validated against satellite observations of the Arctic.

Sulsky, D.↗

NASA NTRS1990

Turbulence modulation effect on evaporating spray characterization

The effects of turbulence modulation on the evaporating spray characteristics of a liquid fuel jet are numerically investigated. Two modulation models are implemented into the k-epsilon two-equation model. The gas phase is solved by a pressure-based method on a Eulerian frame and droplets are solved by a stochastic discrete particle technique based on Lagrangian formulation. The k-epsilon models are used to characterize the time and length scales of the gas phase turbulence for droplet dispersions and droplet/turbulence interactions. The modulation models are found to have significant effects on gas phase dynamics, and are less important for the droplet dynamics. Numerical predictions are compared with the experimental data of Drallemier and Peters (1990).

Shang, H. M.↗