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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Defense Waste Processing Facility Simulant Chemical Processing Cell Studies for Sludge Batch 9

The Savannah River National Laboratory (SRNL) received a technical task request from Defense Waste Processing Facility (DWPF) and Saltstone Engineering to perform simulant tests to support the qualification of Sludge Batch 9 (SB9) and to develop the flowsheet for SB9 in the DWPF. These efforts pertained to the DWPF Chemical Process Cell (CPC). CPC experiments were performed using SB9 simulant (SB9A) to qualify SB9 for sludge-only and coupled processing using the nitric-formic flowsheet in the DWPF. Two simulant batches were prepared, one representing SB8 Tank 40H and another representing SB9 Tank 51H. The simulant used for SB9 qualification testing was prepared by blending the SB8 Tank 40H and SB9 Tank 51H simulants. The blended simulant is referred to as SB9A. Eleven CPC experiments were run with an acid stoichiometry ranging between 105% and 145% of the Koopman minimum acid equation (KMA), which is equivalent to 109.7% and 151.5% of the Hsu minimum acid factor. Three runs were performed in the 1L laboratory scale setup, whereas the remainder were in the 4L laboratory scale setup. Sludge Receipt and Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME) cycles were performed on nine of the eleven. The other two were SRAT cycles only. One coupled flowsheet and one extended run were performed for SRAT and SME processing. Samples of the condensate, sludge, and off-gas were taken to monitor the chemistry of the CPC experiments.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1996

Wind Tunnel Measured Effects on a Twin-Engine Short-Haul Transport Caused by Simulated Ice Accretions

A series of wind tunnel tests were conducted to assess the effects of leading edge ice contamination upon the performance of a short-haul transport. The wind tunnel test was conducted in the NASA Langley 14 by 22 foot facility. The test article was a 1/8 scale twin-engine short-haul jet transport model. Two separate leading edge ice contamination configurations were tested in addition to the uncontaminated baseline configuration. Several aircraft configurations were examined including various flap and slat deflections, with and without landing gear. Data gathered included force measurements via an internal six-component force balance, pressure measurements through 700 electronically scanned wing pressure ports, and wing surface flow visualization measurements. The artificial ice contamination caused significant performance degradation and caused visible changes demonstrated by the flow visualization. The data presented here is just a portion of the data gathered. A more complete data report is planned for publication as a NASA Technical Memorandum and data supplement.

Reehorst, Andrew↗
DOE OSTI2021

MOSCATO Solver Development and Integration Plan

During FY21, we conducted ongoing development work for the MOSCATO (Molten Salt Chemistry and Transport) solver. The code development work primarily consisted of transitioning capabilities from the original version of the solver, which was written in OpenFOAM, into Nek5000. In doing so, a fast, highly parallelizable solver was created that is capable of complex chemistry and corrosion simulations for engineering-scale molten salt systems. The Nek5000 version of MOSCATO is now fully featured and capable of higher-fidelity simulations than were previously possible. Demonstration cases including a thermal convection loop have been simulated to test these new capabilities. Although capable of large-scale simulations, MOSCATO is not well-suited to parametric studies of complete reactor geometries. These types of simulations are instead better handled by reduced-order modeling codes such as ORNL’s Mole code. Reduced-order simulation tools like Mole, however, are dependent on high fidelity correlations to account for complex, coupled three-dimensional phenomena that they do not directly simulate. Tools such as MOSCATO must therefore be used to create these correlations, as suitable empirical relationships are not available for most molten salt systems. Toward that end, we used the Nek-derived version of MOSCATO to create new mass transfer correlations for three relevant cases including tubular, tube bank, and subchannel geometries. These new correlations are more accurate than any existing ones and can be readily integrated into any reduced-order modeling tools that are targeting full-scale MSR simulations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

MOSCATO Development and Integration in Fiscal Year 2022

During FY21, we conducted ongoing development work for the MOSCATO (Molten Salt Chemistry and Transport) solver. The code development work primarily consisted of transitioning capabilities from the original version of the solver, which was written in OpenFOAM, into Nek5000. In doing so, a fast, highly parallelizable solver was created that is capable of complex chemistry and corrosion simulations for engineering-scale molten salt systems. The Nek5000 version of MOSCATO is now fully featured and capable of higher-fidelity simulations than were previously possible. Demonstration cases including a thermal convection loop have been simulated to test these new capabilities. We built upon the work for FY22 and improved the code from several different perspectives. First, we improved the user interface by adding a new component to the official Nek5000 input file (.par). This new part contains documents parameters like, salt properties (density, viscosity, Cp, thermal conductivity), diffusion coefficients, standard potential, etc. Second, we built a conversion script to extract salt properties from the MSTDB-TP salt database and write to MOSCATO input file. Third, we migrated the code to NekRS, which is the GPU branch of Nek5000 and suitable for next generation supercomputers. Verification and Validation (V&V) work was also continued in FY22. Two tasks were performed. The first V&V task involved the validation of the Poisson-Nernst-Planck equation solver and Butler-Volmer electrode kinetics, by comparing with numerical and experimental data about thermoelectric cells. The second task involved the comparisons to corrosion results from a thermal convection loop run during the MSRE era. Satisfactory agreement was obtained from both tasks.

Yuan, Haomin↗
NASA NTRS2006

Simulink-Based Simulation Architecture for Evaluating Controls for Aerospace Vehicles (SAREC-ASV)

The Simulation Architecture for Evaluating Controls for Aerospace Vehicles (SAREC-ASV) is a Simulink-based approach to providing an engineering quality desktop simulation capability for finding trim solutions, extracting linear models for vehicle analysis and control law development, and generating open-loop and closed-loop time history responses for control system evaluation. It represents a useful level of maturity rather than a finished product. The layout is hierarchical and supports concurrent component development and validation, with support from the Concurrent Versions System (CVS) software management tool. Real Time Workshop (RTW) is used to generate pre-compiled code for substantial component modules, and templates permit switching seamlessly between original Simulink and code compiled for various platforms. Two previous limitations are addressed. Turn around time for incorporating tabular model components was improved through auto-generation of required Simulink diagrams based on data received in XML format. The layout was modified to exploit a Simulink "compile once, evaluate multiple times" capability for zero elapsed time for use in trimming and linearizing. Trim is achieved through a Graphical User Interface (GUI) with a narrow, script definable interface to the vehicle model which facilitates incorporating new models.

Christhilf, David m.↗
NASA NTRS2017

Environmental Barrier Coating Fracture, Fatigue and High-Heat-Flux Durability Modeling and Stochastic Progressive Damage Simulation

Advanced environmental barrier coatings will play an increasingly important role in future gas turbine engines because of their ability to protect emerging light-weight SiC/SiC ceramic matrix composite (CMC) engine components, further raising engine operating temperatures and performance. Because the environmental barrier coating systems are critical to the performance, reliability and durability of these hot-section ceramic engine components, a prime-reliant coating system along with established life design methodology are required for the hot-section ceramic component insertion into engine service. In this paper, we have first summarized some observations of high temperature, high-heat-flux environmental degradation and failure mechanisms of environmental barrier coating systems in laboratory simulated engine environment tests. In particular, the coating surface cracking morphologies and associated subsequent delamination mechanisms under the engine level high-heat-flux, combustion steam, and mechanical creep and fatigue loading conditions will be discussed. The EBC compostion and archtechture improvements based on advanced high heat flux environmental testing, and the modeling advances based on the integrated Finite Element Analysis Micromechanics Analysis Code/Ceramics Analysis and Reliability Evaluation of Structures (FEAMAC/CARES) program will also be highlighted. The stochastic progressive damage simulation successfully predicts mud flat damage pattern in EBCs on coated 3-D specimens, and a 2-D model of through-the-thickness cross-section. A 2-parameter Weibull distribution was assumed in characterizing the coating layer stochastic strength response and the formation of damage was therefore modeled. The damage initiation and coalescence into progressively smaller mudflat crack cells was demonstrated. A coating life prediction framework may be realized by examining the surface crack initiation and delamination propagation in conjunction with environmental degradation under high-heat-flux and environment load test conditions.

Mechanical creep and fatigue loading condition↗
DOE OSTI2019

Turbulent nonpremixed cool flames: Experimental measurements, Direct Numerical Simulation, and manifold-based combustion modeling

Turbulence, low-temperature chemistry, and their interactions in the form of turbulent cool flames are critical to understanding and improving advanced engines. Design of such engines requires tractable simulations which in turn necessitate turbulent combustion models that can account for cool flames. While manifold-based turbulent combustion models are an attractive option for hot flames, their applicability to cool flames is not yet fully understood. This is partially due to the lack of turbulent cool flame experiments, which has made model validation difficult. This work addresses these points with a combined experimental and computational investigation of turbulent nonpremixed dimethyl ether cool flames. First, a Co-flow Axisymmetric Reactor-Assisted Turbulent (CARAT) burner is developed and tested. Turbulent cool flames are studied using the formaldehyde planar laser-induced fluorescence (PLIF), acetone PLIF, and planar Rayleigh scattering techniques. The acetone PLIF signals are converted into mixture fraction values, and measurements of time-averaged temperature are derived from the Rayleigh scattering signals by taking advantage of the similarities between cool flames and unburned mixtures. Second, a Direct Numerical Simulation (DNS) of the CARAT burner is conducted. The flame is shown to be sensitive to thermal boundary conditions such that the stabilization method is dependent on a 10 K change in inlet temperature. Comparisons of first- and second-order statistics of temperature, mixture fraction, and formaldehyde between the DNS and experiment show good agreement. The validity of manifold-based turbulent combustion models in turbulent cool flames is then explored by first studying the effective Lewis numbers in the flame using a local differential diffusion parameter analysis. Turbulent cool flames are shown to have effective unity Lewis number transport even at a much lower Reynolds number than typically required for hot flames. Good agreement is shown for temperature and formaldehyde between DNS conditional means and one-dimensional nonpremixed flame solutions. Additionally, the motion of the cool flame in mixture fraction space is shown to be well described by one-dimensional nonpremixed flame solutions. These points indicate that the fundamental physics of turbulent cool flames are analogous to turbulent hot flames, implying that the same reduced-order manifold-based modeling approaches utilized for turbulent hot flames can be utilized for turbulent cool flames.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Surface engineering of MXenes for energy and environmental applications

We report MXenes, a new family of two-dimensional (2D) transition-metal carbides, nitrides, and carbonitrides, have received considerable attention in energy and environmental applications due to their intriguing electronic, electrochemical, optical, and chemical properties. Applications of MXenes have been witnessed in photocatalysis, electrocatalysis, thermocatalysis, sensing and biosensing, electrochemical energy storage, energy conversion and storage, rechargeable batteries, supercapacitors, and biomedicine. Notably, the tunable surface chemistry of MXenes plays an important role in their success in those applications. The surface composition of MXenes is considered to have a significant influence on their physicochemical properties and functionalities. In order to achieve a comprehensive understanding and rational design of MXenes by surface engineering, in this review, we highlight the application of several kinds of surface engineering approaches for MXenes, including tuning the surface termination groups, surface functionalization, surface defects, surface doping, surface oxidation, and the theoretical simulation of surface engineering of MXenes. Moreover, the relationship between the surface engineering and the physicochemical properties of MXenes is discussed. Finally, the ongoing challenges and opportunities for the future development of MXene surface engineering are also highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Conceptual design study for an advanced cab and visual system, volume 1

A conceptual design study was conducted to define requirements for an advanced cab and visual system. The rotorcraft system integration simulator is for engineering studies in the area of mission associated vehicle handling qualities. Principally a technology survey and assessment of existing and proposed simulator visual display systems, image generation systems, modular cab designs, and simulator control station designs were performed and are discussed. State of the art survey data were used to synthesize a set of preliminary visual display system concepts of which five candidate display configurations were selected for further evaluation. Basic display concepts incorporated in these configurations included: real image projection, using either periscopes, fiber optic bundles, or scanned laser optics; and virtual imaging with helmet mounted displays. These display concepts were integrated in the study with a simulator cab concept employing a modular base for aircraft controls, crew seating, and instrumentation (or other) displays. A simple concept to induce vibration in the various modules was developed and is described. Results of evaluations and trade offs related to the candidate system concepts are given, along with a suggested weighting scheme for numerically comparing visual system performance characteristics.

Rue, R. J.↗
NASA NTRS1992

Program For Simulation Of Trajectories And Events

Universal Simulation Executive (USE) program accelerates and eases generation of application programs for numerical simulation of continuous trajectories interrupted by or containing discrete events. Developed for simulation of multiple spacecraft trajectories with events as one spacecraft crossing the equator, two spacecraft meeting or parting, or firing rocket engine. USE also simulates operation of chemical batch processing factory. Written in Ada.

Gottlieb, Robert G.↗
NASA NTRS2013

Experimental and Analytical Characterization of the Macromechanical Response for Triaxial Braided Composite Materials

Increasingly, carbon composite structures are being used in aerospace applications. Their highstrength, high-stiffness, and low-weight properties make them good candidates for replacing many aerospace structures currently made of aluminum or steel. Recently, many of the aircraft engine manufacturers have developed new commercial jet engines that will use composite fan cases. Instead of using traditional composite layup techniques, these new fan cases will use a triaxially braided pattern, which improves case performance. The impact characteristics of composite materials for jet engine fan case applications have been an important research topic because Federal regulations require that an engine case be able to contain a blade and blade fragments during an engine blade-out event. Once the impact characteristics of these triaxial braided materials become known, computer models can be developed to simulate a jet engine blade-out event, thus reducing cost and time in the development of these composite jet engine cases. The two main problems that have arisen in this area of research are that the properties for these materials have not been fully determined and computationally efficient computer models, which incorporate much of the microscale deformation and failure mechanisms, are not available. The research reported herein addresses some of the deficiencies present in previous research regarding these triaxial braided composite materials. The current research develops new techniques to accurately quantify the material properties of the triaxial braided composite materials. New test methods are developed for the polymer resin composite constituent and representative composite coupons. These methods expand previous research by using novel specimen designs along with using a noncontact measuring system that is also capable of identifying and quantifying many of the microscale failure mechanisms present in the materials. Finally, using the data gathered, a new hybrid micromacromechanical computer model is created to simulate the behavior of these composite material systems under static and ballistic impact loading using the test data acquired. The model also quantifies the way in which the fiber/matrix interface affects material response under static and impact loading. The results show that the test methods are capable of accurately quantifying the polymer resin under a variety of strain rates and temperature for three loading conditions. The resin strength and stiffness data show a clear rate and temperature dependence. The data also show the hydrostatic stress effects and hysteresis, all of which can be used by researchers developing composite constitutive models for the resins. The results for the composite data reveal noticeable differences in strength, failure strain, and stiffness in the different material systems presented. The investigations into the microscale failure mechanisms provide information about the nature of the different material system behaviors. Finally, the developed computer model predicts composite static strength and stiffness to within 10 percent of the gathered test data and also agrees with composite impact data, where available.

Littell, Justin D.↗
NASA NTRS2008

Intelligent Engine Systems: Adaptive Control

We have studied the application of the baseline Model Predictive Control (MPC) algorithm to the control of main fuel flow rate (WF36), variable bleed valve (AE24) and variable stator vane (STP25) control of a simulated high-bypass turbofan engine. Using reference trajectories for thrust and turbine inlet temperature (T41) generated by a simulated new engine, we have examined MPC for tracking these two reference outputs while controlling a deteriorated engine. We have examined the results of MPC control for six different transients: two idle-to-takeoff transients at sea level static (SLS) conditions, one takeoff-to-idle transient at SLS, a Bode power command and reverse Bode power command at 20,000 ft/Mach 0.5, and a reverse Bode transient at 35,000 ft/Mach 0.84. For all cases, our primary focus was on the computational effort required by MPC for varying MPC update rates, control horizons, and prediction horizons. We have also considered the effects of these MPC parameters on the performance of the control, with special emphasis on the thrust tracking error, the peak T41, and the sizes of violations of the constraints on the problem, primarily the booster stall margin limit, which for most cases is the lone constraint that is violated with any frequency.

Gibson, Nathan↗
NASA NTRS2009

Modeling and Simulation of Variable Mass, Flexible Structures

The advent of the new Ares I launch vehicle has highlighted the need for advanced dynamic analysis tools for variable mass, flexible structures. This system is composed of interconnected flexible stages or components undergoing rapid mass depletion through the consumption of solid or liquid propellant. In addition to large rigid body configuration changes, the system simultaneously experiences elastic deformations. In most applications, the elastic deformations are compatible with linear strain-displacement relationships and are typically modeled using the assumed modes technique. The deformation of the system is approximated through the linear combination of the products of spatial shape functions and generalized time coordinates. Spatial shape functions are traditionally composed of normal mode shapes of the system or even constraint modes and static deformations derived from finite element models of the system. Equations of motion for systems undergoing coupled large rigid body motion and elastic deformation have previously been derived through a number of techniques [1]. However, in these derivations, the mode shapes or spatial shape functions of the system components were considered constant. But with the Ares I vehicle, the structural characteristics of the system are changing with the mass of the system. Previous approaches to solving this problem involve periodic updates to the spatial shape functions or interpolation between shape functions based on system mass or elapsed mission time. These solutions often introduce misleading or even unstable numerical transients into the system. Plus, interpolation on a shape function is not intuitive. This paper presents an approach in which the shape functions are held constant and operate on the changing mass and stiffness matrices of the vehicle components. Each vehicle stage or component finite element model is broken into dry structure and propellant models. A library of propellant models is used to describe the distribution of mass in the fuel tank or Solid Rocket Booster (SRB) case for various propellant levels. Based on the mass consumed by the liquid engine or SRB, the appropriate propellant model is coupled with the dry structure model for the stage. Then using vehicle configuration data, the integrated vehicle model is assembled and operated on by the constant system shape functions. The system mode shapes and frequencies can then be computed from the resulting generalized mass and stiffness matrices for that mass configuration. The rigid body mass properties of the vehicle are derived from the integrated vehicle model. The coupling terms between the vehicle rigid body motion and elastic deformation are also updated from the constant system shape functions and the integrated vehicle model. This approach was first used to analyze variable mass spinning beams and then prototyped into a generic dynamics simulation engine. The resulting code was tested against Crew Launch Vehicle (CLV-)class problems worked in the TREETOPS simulation package and by Wilson [2]. The Ares I System Integration Laboratory (SIL) is currently being developed at the Marshall Space Flight Center (MSFC) to test vehicle avionics hardware and software in a hardware-in-the-loop (HWIL) environment and certify that the integrated system is prepared for flight. The Ares I SIL utilizes the Ares Real-Time Environment for Modeling, Integration, and Simulation (ARTEMIS) tool to simulate the launch vehicle and stimulate avionics hardware. Due to the presence of vehicle control system filters and the thrust oscillation suppression system, which are tuned to the structural characteristics of the vehicle, ARTEMIS must incorporate accurate structural models of the Ares I launch vehicle. The ARTEMIS core dynamics simulation models the highly coupled nature of the vehicle flexible body dynamics, propellant slosh, and vehicle nozzle inertia effects combined with mass and flexible body properties that vary significant with time during the flight. All forces that act on the vehicle during flight must be simulated, including deflected engine thrust force, spatially distributed aerodynamic forces, gravity, and reaction control jet thrust forces. These forces are used to excite an integrated flexible vehicle, slosh, and nozzle dynamics model for the vehicle stack that simulates large rigid body translations and rotations along with small elastic deformations. Highly effective matrix math operations on a distributed, threaded high-performance simulation node allow ARTEMIS to retain up to 30 modes of flex for real-time simulation. Stage elements that separate from the stack during flight are propagated as independent rigid six degrees of freedom (6DOF) bodies. This paper will present the formulation of the resulting equations of motion, solutions to example problems, and describe the resulting dynamics simulation engine within ARTEMIS.

Tobbe, Patrick A.↗
NASA NTRS2006

Pre-engineering Spaceflight Validation of Environmental Models and the 2005 HZETRN Simulation Code

The HZETRN code has been identified by NASA for engineering design in the next phase of space exploration highlighting a return to the Moon in preparation for a Mars mission. In response, a new series of algorithms beginning with 2005 HZETRN, will be issued by correcting some prior limitations and improving control of propagated errors along with established code verification processes. Code validation processes will use new/improved low Earth orbit (LEO) environmental models with a recently improved International Space Station (ISS) shield model to validate computational models and procedures using measured data aboard ISS. These validated models will provide a basis for flight-testing the designs of future space vehicles and systems of the Constellation program in the LEO environment.

Nealy, John E.↗
DOE OSTI2021

Hyperbolic Reformulation Approach to Enable Efficient Simulation of Groundwater Flow and Reactive Transport

We apply Cattaneo's relaxation approach to the one-dimensional coupled Boussinesq groundwater flow and advection-diffusion-reaction equations, commonly used in engineering applications to simulate contaminant transport in the subsurface. The diffusion-type governing equations are reformulated as a hyperbolic system, augmented by an equation that can be interpreted as a momentum balance. The hyperbolization enables an efficient unified computation of the primary variable and its gradients, for example piezometric head and unit discharge in the Boussinesq equation. An augmented Roe scheme is used to solve the hyperbolic system. The hyperbolized system of equations is studied in a set of steady state and transient test cases with idealized geometry. These test cases confirm the equivalence of the hyperbolic system to its original formulation. The larger time step size of the hyperbolic equation is verified theoretically by means of a stability analysis and numerically in the test cases. Finally, a reach-scale application of flow and transport across a river meander is considered. This application case shows that the performance of the hyperbolic relaxation approach holds for more realistic groundwater flow and transport problems, relevant to water resources management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Enabling Low-Temperature (LTP) Ignition Technologies for Multi-Mode Engines through the Development of a Validated High-Fidelity LTP Model for Predicative Simulations Tools

The goal of multi-mode engine architectures is to extend current lean-burn dilution limits with renewable fuels, which requires spark plugs to deposit high energies (hundreds of mJ) in order to initiate ignition and complete combustion. At elevated energy deposition rates, spark plugs experience increased electrode erosion and thermal losses, which ultimately shortens the spark-plug lifetime and lowers ignition efficiency. As such, in order to safeguard the efficiency gains of multi-mode concepts, new and improved ignition technologies are required. Recently, non-equilibrium low-temperature plasmas (LTP) have been shown to promote energy-efficient ignition via quenching and transport of electronically excited atoms and molecules, selective radical production and fast heating of hydrocarbon/air mixtures [1-2]. Thus, LTP is seen as a technology that can potentially improve the energy extraction efficiency of fuels, while enabling kinetically controlled combustion modes towards fuel leaner conditions to realize current DOE VTO goals of improving the sustainability of future mobility [3]. Although many previous studies have demonstrated the efficacy of plasma-assisted ignition to enhance combustion, the detailed enhancement mechanisms remain largely unknown, especially for oxygenated fuels and at elevated pressures that are most relevant to practical engine conditions. These barriers hinder the development of accurate and comprehensive numerical models that seek to describe LTP-based ignition in existing engine design software tools and methods. Current state-of-the-art simulation capabilities for LTP ignition systems are in need of improvements since they deliver qualitative results only due to important limitations of existing approaches. Firstly, validated kinetic models with elementary steps for plasma discharges in oxygenated fuel/air mixtures of relevance to the transportation sector are required. Such kinetic models do not exist at present and will be developed and validated within this project. Secondly, plasma discharges and reactive mixture ignition are multi-scale, unsteady processes requiring high-performance numerical methods and software that execute efficiently on DOE supercomputers. Such software does not exist at present and will be developed and applied to practical LTP ignition scenarios as part of this project. Thirdly, experimental databases that are tailored to serve as benchmark in support of the development of predictive computational models of LTP ignition do not exist and will be part of this project.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Large-eddy simulation of a multi-injection flame in a diesel engine environment using an unsteady flamelet/progress variable approach

In this work, large-eddy simulations (LESs) are conducted for a multiple-injection flame in a diesel engine environment using an unsteady flamelet/progress variable (UFPV) approach in which differential diffusion is considered. The suitability of the UFPV tabulation approach is first evaluated through a priori analyses using the state-of-the-art direct numerical simulation (DNS) dataset. Both the instantaneous data and the conditional values for the major and minor species' mass fractions are compared between the UFPV and the DNS. The comparisons show that the proposed UFPV tabulation approach can give good predictions for the multiple-injection flame at different injection phases. While the gas temperature and major species mass fractions can be accurately predicted with or without differential diffusion being considered in the UFPV flamelet library, the prediction accuracy for the highly diffusive species (e.g., hydrogen) in the main injection phase can be noticeably improved when differential diffusion is taken into account. The fully coupled LES/UFPV simulations show that the overall structure of the multiple-injection flame can be predicted, and the conditional thermo-chemical values are close to the filtered DNS dataset. The reasons for the remaining discrepancies found in the a priori analyses and the a posteriori simulations using the UFPV approach are analyzed.

Wen, Xu (ORCID:0000000331334292)↗
DOE OSTI2026

Convergence Criteria for Multiphysics Simulations

The behavior of engineered systems is often influenced by multiple physical phenomena, such as mechanical deformation, heat transfer, and chemical species transport and reactions. There are often strong interactions between these phenomena, and there is increasing interest in applying coupled-physics models to improve understanding of physical behavior under complex environmental conditions. Multiple simulation frameworks that facilitate coupled-physics simulations are in widespread use, and these employ a variety of techniques to account for interactions between those physics. Many frameworks solve the physics models independently and transfer results between them. Alternatively, a single monolithic system of equations for every physics model can be formed and solved. Each of these approaches has its benefits and drawbacks, and the optimal approach varies depending on the nature of the problem. The open-source MOOSE framework was developed targeting solution of large-scale multiphysics problems. Although it provides options for all these coupling approaches, its standard approach for multiphysics solutions is to form and solve a single monolithic system of equations containing the unknowns for all physics models. MOOSE provides a streamlined approach for users to define the solution variables, the terms in the partial differential equations pertaining to each variable, and interactions between solution variables. One aspect of the monolithic solution approach that can be problematic, however, is defining appropriate convergence criteria for the nonlinear system. A standard approach is to determine convergence is to simply take a norm of the residual vector corresponding to the full vector of unknowns. However, if the residual vector contains variables for multiple physics models, the magnitudes of those variables can differ significantly, and the variables can converge at significantly different rates from each other. It is important to ensure that the variables for each of the physics are converged, and also ensure that the convergence criteria are not excessively stringent in cases when there is little change in the solution. This talk presents representative multiphysics problems to highlight these issues, and shows strategies for convergence criteria in MOOSE that are robust for multiphysics models under a variety of conditions.

97 - MATHEMATICS AND COMPUTING↗