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At least 1,171 records · Page 65

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DOE OSTI2023

Method for designing a combustion system with reduced environmentally-harmful emissions

A method for designing a combustion system which emits less of at least one environmentally-harmful emission is presented. In a describing step, an injector which introduces a fuel into a combustion chamber is described via a CFD code. In a modeling step, combustion kinetics of the fuel are modeled via a pre-processing code as the fuel mixes and reacts with an oxidizer. In a first selecting step, at least one primary scalar is derived during the modeling of the combustion kinetics. In a performing step, a table look-up is performed to obtain at least one data from a look-up database based on the primary scalar. In a second selecting step, at least one secondary scalar is selected in addition to the primary scalar(s). In a specifying step, at least one chemical pathway of formation or destruction for the secondary scalar is specified via a chemistry manager wherein the secondary scalar is representative of the environmentally-harmful emission(s) of the chemical pathway(s). In a utilizing step, the data is utilized to evaluate the chemical pathway(s) to quantify the environmentally-harmful emission(s). In an identifying step, an improvement to the combustion system is identified which reduces the environmentally-harmful emission(s).

Zambon, Andrea C.↗

DOE OSTI2024

Thermochemical Nonequilibrium Modeling in a Continuous-Galerkin, Finite-Element Framework

The presented work discusses the implementation, verification, and validation of Park's two-temperature model in a scalable, computational fluid dynamics (CFD) code developed at the US Department of Energy's Oak Ridge National Laboratory (ORNL). The implementation of Park's two-temperature model was verified through 0D test cases involving an adiabatic reactor and a nitrogen thermal bath. The implementation was then validated through comparisons with other validated CFD codes and experimental data on a hypersonic cylinder and double cones. These are standard benchmark test cases for thermochemical non-equilibrium (TCNE) modeling, and all data are shared publicly. The verification and validation results showed that ORNL's in-house CFD code could model complex, high-speed flow problems with and without TCNE modeling. This work is essential for future research involving 3D shock wave/boundary layer interactions (SBLIs).

Nutter, Nicole↗

DOE OSTI2024

Implementation of Detailed Polyethylene Pyrolysis Kinetics into CFD Simulations using Machine Learning

Municipal solid waste (MSW) and waste plastics have received significant attention due to the issues of waste generation and storage, as well as their potential as an energy resource. High-density polyethylene (HDPE) makes up a large portion of plastic waste and has been the subject of several conversion studies. However, the mechanisms associated with converting HDPE through pyrolysis and gasification are extensive and complex making them difficult to implement into high-fidelity computational fluid dynamic (CFD) simulations. For this project, a primary pyrolysis mechanism containing 42 unique species and 737 heterogeneous reactions was used to generate kinetic data over a range of operating conditions. A machine learning (ML) model was developed to replicate the results of the detailed pyrolysis mechanism while significantly increasing the computational efficiency. A deep operator network (DeepONet) architecture was adopted to train the model using time steps relevant to CFD simulations. The ML used physics-based loss functions to ensure mass conservation. The ML model has been deployed in simple MFiX CFD simulations, single particle, and an experimental drop tube reactor, and has shown promising performance compared to the original scheme.

Houston, Ross↗

DOE OSTI2022

Validation of NEAMS Tools Using MSRE Data

This report documents the benchmarks developed and performed for the tools and codes developed under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program utilizing the MSRE experiment data. There are three focus areas explored in this work: fuel evolution, CFD, and system transient analyses. Fuel depletion is important for MSR reactor physics and fuel cycle analysis. Fuel depletion capability is currently being developed in the Griffin reactor physics code. To support this, a benchmark problem is developed using the MSRE data and an existing depletion code with flowing fuel analysis functionality (ADDER) to validate this new capability in Griffin. The ADDER calculation is compared with the TRITON-MSR results as well as the MSRE experimental data. This benchmark can be directly used to verify and validate the Griffin fuel depletion capability in future years. For CFD simulation, the MSRE CAD model is obtained from the Copenhagen Atomics and a mesh is generated for the MSRE inlet plenum. The Nek5000 code will be employed to find the flow distribution in the MSRE inlet plenum based on the mesh generated. For system analysis, a simple benchmark problem for three types of MSR system transients is developed. The SAM and SPECTRA codes are used to solve the simple problem, and the results from the two codes agree well. The SAM code is also employed to obtain the frequency response of the MSRE system at the 5 and 8 MWt power levels. The results agree well with the experiment measurements. These verification and validation efforts gives SAM users more confidence in MSR system transient simulations using SAM. Lastly, the SAM-Griffin Multiphysics coupling work is initiated. A simple one-way coupling of evaluating the precursor drift effect on the MSRE k-eff is demonstrated. This preliminary coupling work serves as the basis for future more complex Multiphysics simulation and modelling.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1992

Evaluation and application of the Baldwin-Lomax turbulence model in two-dimensional, unsteady, compressible boundary layers with and without separation in engine inlets

The Baldwin-Lomax model is used in many CFD codes because it is quick and easy to implement. In this paper, we discuss implementing the Baldwin-Lomax turbulence model for both steady and unsteady compressible flows. In addition, these flows may be either separated or attached. In order to apply this turbulence model to flows which may be subjected to these conditions, certain modifications should be made to the original Baldwin-Lomax model. We discuss these modifications and determine whether the Baldwin-Lomax model is a viable turbulence model that produces reasonably accurate results for high speed flows that can be found in engine inlets.

Sakowski, Barbara↗

NASA NTRS1992

Evaluation and application of the Baldwin-Lomax turbulence model in two-dimensional, unsteady, compressible boundary layers with and without separation in engine inlets

Sakowski, Barbara↗

NASA NTRS2023

Development of a Computational Fluid Dynamics Model for a High-Speed Centrifugal Compressor

Computational fluid dynamics (CFD) has become widely used in the design and analysis of turbomachinery components such as centrifugal compressors. However, CFD is only a limited representation of experimental cases and struggles to model complex flows or can lack small model details to increase computation speed. To make advancements in compressor technology, designers need tools like CFD that can help them predict flow behavior in new designs. The High Efficiency Centrifugal Compressor (HECC) was designed by United Technologies Research Center (UTRC) for NASA to investigate the difficulties behind improving centrifugal compressor technology and to provide an open case to the turbomachinery research community. CFD analysis was completed by UTRC to aid in the design process. The pre-test study significantly overpredicted the compressor’s performance, and while post-test analysis was more representative, its results have yet to be publicly available. CFD technology has also since improved in recent years. In this study, a high-fidelity computational model for the vaneless configuration of HECC operating at its design point was developed and compared to an equivalent experimental case. This model incorporated GPU versions of mesh generation and solver codes from AeroDynamic Solutions, Inc. The development of such a model is significant since there has yet to be a published numerical simulation of HECC’s vaneless configuration. Additionally, the use of GPU codes decreases computation times for the model, which has allowed for the inclusion of impeller blade fillets. Initial results showed a general overprediction of compressor performance by the model. Predictions were more accurate for the impeller compared to predictions for the full compressor stage. Spanwise analyses showed that the model tended to follow flow behavior patterns exhibited in the experiment. Beyond this study, this model will be iterated upon and experimentally validated to further examine HECC performance.

centrifugal compressor↗

NASA NTRSDate not supplied

Recommended DSMC Collision Model Parameters for Planetary Entry

Hybrid simulation frameworks combining Computational Fluid Dynamics (CFD) and Direct Simulation Monte Carlo (DSMC) are frequently employed to efficiently perform high-fidelity simulations of environments consisting of both continuum and rarified flow. DSMC is a stochastic, particle-based method which solves the fundamental Boltzmann equation and is therefore necessary for high-Knudsen flow where continuum-based assumptions governing CFD break down. However, the DSMC methodology is generally computationally inefficient to model the continuum regime. In a CFD/DSMC hybrid approach, obtaining an accurate, high-fidelity solution hinges on the consistent treatment of transport properties and the thermo-chemical models employed within the two solvers. In principle, in regions where CFD and DSMC are both employed, the same gas mixture under the same conditions should have the same properties, regardless of simulation type. Observed differences should be due to non-equilibrium processes, rather than differences in physical models. The goal of this work is to provide a comprehensive DSMC transport database encompassing the vast majority of known gas species encountered during Earth or other planetary atmospheric entry. This goal is largely possible due to recently performed ab initio quantum chemistry calculations. Combined with other high-fidelity data, the planned database will consist of collision integral data for over 200 neutral and ionized species and over 20000 binary collisions. From these collision integrals, Nelder-Mead optimization is used to compute collision-specific Variable Soft Sphere (VSS) collision model parameters, fitted from 300 K to 20000 K. Initial comparisons of transport properties of relevant equilibrium gas mixtures show great agreement between CFD and DSMC-derived results. The completed database can be readily applied to model binary collisions of any gas mixture containing the included species over the specified temperature range, making it a valuable tool for future planetary probe modeling efforts. An example is shown below in Fig. 1. Equilibrium mixture transport properties for a 35-species mixture composed originally of 10% air and 90% pyrolysis species of a carbon-phenolic ablator material [4] are computed using both fitted VSS Parameters and the original CFD collision integral values. Deviations in computed properties between the two approaches are less than 5% for the entire temperature range.

M. R. Gosma↗

NASA NTRS2012

AdapChem

AdapChem software enables high efficiency, low computational cost, and enhanced accuracy on computational fluid dynamics (CFD) numerical simulations used for combustion studies. The software dynamically allocates smaller, reduced chemical models instead of the larger, full chemistry models to evolve the calculation while ensuring the same accuracy to be obtained for steady-state CFD reacting flow simulations. The software enables detailed chemical kinetic modeling in combustion CFD simulations. AdapChem adapts the reaction mechanism used in the CFD to the local reaction conditions. Instead of a single, comprehensive reaction mechanism throughout the computation, a dynamic distribution of smaller, reduced models is used to capture accurately the chemical kinetics at a fraction of the cost of the traditional single-mechanism approach.

Oluwole, Oluwayemisi O.↗

DOE OSTI2023

Computational Study on the Effect of Thermal Boundary Conditions and Axial Aspect Ratio on Catalytic Oxidative Coupling of Methane

Packed-bed reactor models with a large reactor-diameter-to-particle-diameter ratio (N > 10) are commonly used in catalysis research. Their use is underpinned by strong simplifying assumptions including unidirectional plug flow, negligible radial gradients, small axial diffusion, and isothermal operation. However, the complex exothermic–endothermic nature of reactions like oxidative coupling of methane (OCM) coupled with heat transfer from the catalyst surface and convective heat losses from the reactor wall provides an interesting case study to evaluate packed-bed assumptions and understand axial and radial temperature variations that may impact conversion and selectivity. This computational study investigates the effect of thermal boundary conditions on catalyst performance in laboratory OCM reactors (N = ~13) through computational fluid dynamics (CFD) simulation. Further, the 1-D model typically used for modeling plug flow reactors assumes negligible radial temperature and species concentration gradients. This assumption is evaluated for OCM reactors over a range of geometric axial aspect ratios, defined as the reactor length divided by the diameter, comparing the 1-D with 3-D CFD results. 1-D model predictions of catalyst performance start to deviate from the 3-D model predictions as the axial aspect ratio decreases, specifically as diameter increases at constant length. In the work, the 1-D model assumption is only found to be valid for axial aspect ratios higher than 1.6, a result considered to be relevant for all exothermic catalytic reactors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

A reduced-order model of concentration polarization in reverse osmosis systems with feed spacers

Feed spacers in reverse osmosis systems generate complex fluid flows that limit computational fluid dynamics (CFD) simulations to small length and time scales. That limits our ability to simulate mineral scaling and other membrane fouling phenomena, which occur over longer length and time scales. Thus motivated, we develop a reduced model that replaces the CFD simulation of the velocity field with an analytical model that mimics spacers. This focuses the remaining numerical effort on simulating the advection–diffusion equation governing solute transport. We motivate and validate the model with CFD simulations and bench-scale experiments of spacer filaments in three different arrangements, including cases of unsteady vortex shedding. We show that the model produces a roughly 10,000-fold speedup compared to CFD, and accurately reproduces CFD predictions of not only the average and maximum concentrations, but also the local concentration distribution along the membrane. Here, we also demonstrate the model for simulating a feed channel with a length-to-height ratio of 200. The model provides a simple testbed for exploratory studies of multispecies transport, precipitation, and membrane fouling phenomena for which simulating spacers is often prohibitive.

Computational fluid dynamics↗

DOE OSTI2021

Application of NEAMS Codes to Capture MSR Phenomena

This report documents work completed in FY21 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program’s Molten Salt Reactor (MSR) Application Drivers activity at Argonne. The common focus was on identifying the modeling and simulation functional requirements for designing, licensing, and operating MSRs and applying those capabilities already developed in NEAMS tools to example problems of interest. The four main parts of this report each focuses on a specific area of simulation physics as it relates to MSR phenomena: fuel evolution, chemistry, computational fluid dynamics (CFD), and systems analysis. In terms of fuel evolution, which includes depletion, decay, on-line separations, and transmutation, the current state of computational capabilities for modeling this behavior in liquid-fueled molten salt reactor is discussed. Some of the functional requirements to accomplish the various applications of MSR fuel depletion modeling are highlighted, followed by a summary of recent approaches and code development activities. The chemistry functional requirements were discussed in the context of several applications of high importance for MSRs, such as corrosion, salt chemistry, and species transport. Each of these types of chemistry modeling have considerable impact on various aspects of reactor applications, including informing on reactor designs, improving operational efficiencies, analyzing safety and reactivity concerns, and estimating the mechanistic source term of the reactor. A brief overview is also provided on code development activities ongoing under NEAMS relevant to chemistry modeling of MSRs. In terms of CFD applications, the state-of-the-art spectral element code, Nek5000 was used to model the fluid dynamics within a full core of the Molten Salt Fast Reactor (MSFR) concept designed as part of the Euratom EVOL project. This concept was selected as the challenge problem because of its similar features to several U.S. industry concepts. The goal was to model some of the fast MSR design challenges, including potential large internal re-circulations, the need of accurate tracking of delayed neutron precursors (DNP), and the lack of relevant thermal-hydraulics models/correlations, etc. Therefore, a series of CFD models were created for the MSFR core cavity using a k – τ model two-equation model for the turbulence. These first full core results demonstrated that any potential recirculation zones could be properly identified with the current NEAMS CFD capabilities. The development of these models will also set the stage for future testing of Nek5000’s functionalities to model other MSR thermal-fluid phenomena. Lastly, the validation of SAM against experimental data from the Molten Salt Reactor Experiment, which started in FY19, continues with the inclusion of modeling the reactivity insertion tests. This involved using SAM and its point kinetics model for flowing fuel salt to recreate the time dependent power changes and response after positive reactivity insertions at the 1, 5, and 8 MWt power levels. Through these exercises, several code modifications were suggested to the SAM development team and accommodated to enable closer agreement with solid technical and physical justifications. These include adding a moderator reactivity feedback coefficient as an available input and modifying the solution approach for the point kinetics model. Additional SAM development suggestions for flowing fuel MSRs include adding the capability to allow the moderator power change proportionally with the reactor power and enabling specification of the power and DNP distributions separately.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS2018

Nozzle Plume/Shock Interaction Experimental and Computational Sonic Boom Analyses from the NASA Ames 9- by 7-Foot Supersonic Wind Tunnel

A wind tunnel test and a computational study were conducted to investigate the complex interactions between a supersonic nozzle plume and shock waves of differing strengths generated from various aft surfaces typical of supersonic aircraft. These analytically-defined aft surfaces were representative of horizontal tails of various sizes, and an aft deck. CFD simulations of many proposed model configurations allowed for assessments of the detailed flow interactions of components in close proximity to the nozzle, as well as assessments of the nozzle jet flow itself. The evaluation of the computational results for many candidate configurations guided the design of model components. The interactions of the waveforms from these surfaces with the jet exhaust plume can have significant adverse effects on the loudness of the sonic boom if the surfaces are not carefully integrated into an aircraft design. The greatest discrepancy in estimating sonic boom loudness for low-boom flight vehicles is currently in predicting the signatures from the aft part of an aircraft, including the interactions with the plume flow. The objectives of this test were to gain a better understanding of these interactions, and to provide a detailed experimental database from multiple sources for use as validation cases for CFD tool development. The subject test was run in the NASA Ames 9- by 7-Ft Supersonic Wind Tunnel in February 2016 at Mach numbers of 1.6 and 2.0, and was funded by the NASA Commercial Supersonics Technology (CST) Project. The nozzle flow was provided by high-pressure air (HPA) pumped through the model, and pressure signature data were acquired with the NASA 14-inch sonic boom pressure rail. The rail measured the locations of the shocks and expansions at various distances and off-track angles from the model. This enabled the impact of the nozzle plume/shock interactions on the near- and mid-field sonic boom pressure waveforms to be quantified. Schlieren images of the flow field around and behind the model were obtained with an RBOS (Retroreflective Background-Oriented Schlieren) technique to determine the origins of the shock and expansion waves, to identify the shape and boundaries of the plume, and to determine the changes in incoming and exiting waveforms within the plume. A total pressure rake was positioned closely behind the model nozzle in order to measure the total pressure profiles of the flow above, within, and below the nozzle exhaust. Model angles and positions in the tunnel were measured by photogrammetry using two cameras since the lack of a model force balance prevented the measurement of model deflections under load.Navier-Stokes computations using two different CFD codes were compared to the experimental sonic boom pressure signature data, and the rake total pressure data in the plume. A computational schlieren technique was used to compare the computed flow field with the RBOS images. The computational results were also used to complement the test data with flow field quantities that could not be measured, such as Mach number and pressure distributions to distinguish shock waves and expansion waves.

sonic boom↗

DOE OSTI2020

Multidimensional modeling of non-equilibrium plasma generated by a radio-frequency corona discharge

Low-temperature plasma (LTP) ignition concepts rely on the production of radical and charged species to speed up the onset of combustion in spark-ignition engines. These features are responsible for the superior performance of LTP igniters under extremely dilute combustion operation that is not achievable by conventional spark igniters. Additionally, LTP discharges extend the lifetime of the igniters, due to the avoidance of spark processes. For these reasons, the engine research community and the automotive industry have shown growing interest in this technology in the recent years. As of today, computational fluid-dynamics (CFD) codes typically used by the multi-dimensional engine modeling community do not have reliable models to describe LTP ignition processes. One key missing piece of information is the physical and chemical properties of the plasma and their effect on combustion ignition. Most non-equilibrium plasma simulations reported in literature are based on simplified, canonical geometries, with simple discharge excitation schemes. Here we conduct multi-dimensional modeling of the non-equilibrium plasma generated by an application-relevant radio-frequency (RF) corona discharge in air. Three test cases are simulated, characterized by different environmental pressure levels and peak electrode voltage values at room temperature. Streamer penetration, electron number density, atomic oxygen production, and bulk gas temperature distribution in the first 10 sinusoidal pulses are presented and discussed. This model can be used as a key tool for an in-depth understanding of RF-corona discharge for automotive applications and provides the basis for future implementations of dedicated LTP ignition models in CFD codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Thermal Modelling of Advanced Test Reactor Fuel in a Generalized Dry Storage System

Star-CCM+, a computational fluid dynamics (CFD) software was used to conduct modeling and simulation of the thermal performance of a dry storage configuration consisting of Department of Energy Standardized Canisters (DOESCs) loaded with aluminum-clad spent nuclear fuel (ASNF.) The configuration includes nine DOESCs loaded with Advanced Test Reactor ASNF contained within a stainless steel overcanister centered in a ventilated, concrete overpack. The simulations were used to estimate the maximum temperatures reached by backfill gases inside the overcanister and DOESCs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1996

User Interface Developed for Controls/CFD Interdisciplinary Research

The NASA Lewis Research Center, in conjunction with the University of Akron, is developing analytical methods and software tools to create a cross-discipline "bridge" between controls and computational fluid dynamics (CFD) technologies. Traditionally, the controls analyst has used simulations based on large lumping techniques to generate low-order linear models convenient for designing propulsion system controls. For complex, high-speed vehicles such as the High Speed Civil Transport (HSCT), simulations based on CFD methods are required to capture the relevant flow physics. The use of CFD should also help reduce the development time and costs associated with experimentally tuning the control system. The initial application for this research is the High Speed Civil Transport inlet control problem. A major aspect of this research is the development of a controls/CFD interface for non-CFD experts, to facilitate the interactive operation of CFD simulations and the extraction of reduced-order, time-accurate models from CFD results. A distributed computing approach for implementing the interface is being explored. Software being developed as part of the Integrated CFD and Experiments (ICE) project provides the basis for the operating environment, including run-time displays and information (data base) management. Message-passing software is used to communicate between the ICE system and the CFD simulation, which can reside on distributed, parallel computing systems. Initially, the one-dimensional Large-Perturbation Inlet (LAPIN) code is being used to simulate a High Speed Civil Transport type inlet. LAPIN can model real supersonic inlet features, including bleeds, bypasses, and variable geometry, such as translating or variable-ramp-angle centerbodies. Work is in progress to use parallel versions of the multidimensional NPARC code.

Source record↗

NASA NTRSDate not supplied

Validation of Loci-Stream for Autogenous Pressurization of Cryogenic Propellant Tank

Autogenous pressurization of cryogenic propellant tanks eliminates the need to have an additional pressurant tank on the space vehicle, which is highly advantageous due to reduced vehicle mass and design complexity. Autogenous pressurization therefore is one of the key technologies for deep space exploration and long-term space missions. The complex interaction of thermal gradients, turbulence and phase change near the interface make the problem a challenging one to model. Nodal analysis tools and reduced order models are unable to capture the necessary physics. 3-D CFD analyses are necessary to fully characterize autogenous pressurization. CFD analyses pose their own difficulties. The requisite CFD tool to tackle this problem need to be modular with the ability to incorporate various physics models, efficient, and computationally scalable for simulating flight size tanks. NASA MSFC's Loci-Stream CFD tool along with the VOF module is a great candidate to fit this mold. We demonstrate our modeling approach and validation of Loci-Stream for predicting autogenous pressurization of a flight scale propellant tank in order for the solver to serve as a reliable design and analysis tool for NASA's CFM application needs. Liquid hydrogen tank pressurization tests carried out at the MSFC test stand 300 facilities provide reliable validation data for this purpose. These tests were modeled using the Loci-Stream solver with a newly implemented two-phase sharp interface treatment. We show that our modeling approach and CFD solver predict the autogenous pressurization phenomena satisfactorily, and document challenging aspects of modeling this problem.

CFM↗

NASA NTRSDate not supplied

Unified Material-Environment Interaction Model for Binary UHTC Composites

A new model for the surface chemistry of zirconium and hafnium diborides containing silicon-carbide when exposed to high temperature conditions in air is formulated. Oxidation dynamics are simplified by considering the diffusion-limited equilibrium regime within the material at elevated temperatures. This model is first assessed against experimental mass-gain data taken from UHTC samples heated to high temperature in an oxygen environment. Then, further evaluations of the new model are conducted using hypersonic CFD simulations to analyze conditions experienced by HfB2-SiC in arc jet experiments conducted at NASA Ames Research Center. Measurements of stagnation point heat transfer and pressure are then used to calibrate the simulations. Results of coupled CFD-material response simulations are then compared to the surface temperatures measured during the Ames arc jet test. Results support the use of the proposed model while highlighting the need for improved gas-phase data on the additional constituents considered.

ultra high temperature ceramic↗