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DOE OSTI2020

The Challenge of Achieving Site Closure of a Complex Groundwater Plume - 20531

Over the last three decades, DOE has made substantial progress in nearly every area of nuclear waste cleanup and has closed and transitioned 91 of the 107 sites in the EM complex. Several of the remaining groundwater plumes at Hanford, Los Alamos, Paducah, Oak Ridge, and Savannah River are complex and tend to have unique site or contaminant characteristics which provide an almost impossible challenge to remediate to regulatory levels. As a result, these complex sites will require a large investment to remediate. In order for DOE to achieve regulatory closure, a technically sound case must be developed and presented to regulators and stakeholders that clearly demonstrates that remedial goals have been or will be irreversibly achieved or that there is an alternate acceptable end-state. Five lines of evidence are required: - A conceptual site model that is as complete as possible, with the knowledge that it may continue to evolve with time; - Demonstration that trends in contaminant concentrations, or flux, versus time indicate that remedial goals will be achieved on schedule or within a reasonable time thereafter and that trends that deviate from this path are explainable by the conceptual model; - Demonstration that remobilization of attenuated contaminants is unlikely to occur in the future; - Explicit consideration of remedial contingencies, should deviations in the path toward remedial goals occur; - Development of an effective long-term monitoring plan to detect any conditions that might alter the path toward remedial goals. SRS has made significant progress in the remediation of contamination associated with the F-area and H-Area Seepage Basins, and it is currently developing a strategic closure path that addresses each of these lines of evidence and identifies both basic and applied scientific issues that will need to be addressed in order to obtain regulatory closure. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1995

Aerosol Radiative Effects: Expected Variations in Optical Depth Spectra and Climate Forcing, with Implications for Closure Experiment Strategies

We examine measurement strategies for reducing uncertainties in aerosol direct radiative forcing by focused experiments that combine surface, air, and space measurements. Particularly emphasized are closure experiments, which test the degree of agreement among different measurements and calculations of aerosol properties and radiative effects. By combining results from previous measurements of large-scale smokes, volcanic aerosols, and anthropogenic aerosols with models of aerosol evolution, we estimate the spatial and temporal variability in optical depth spectra to be expected in the Tropospheric Aerosol Radiative Forcing Observational Experiment (TARFOX, planned for summer 1996 off the Eastern U.S. seaboard). In particular, we examine the expected changes in the wavelength dependence of optical depth as particles evolve through nucleation, growth by condensation and coagulation, and removal via sedimentation. We then calculate the expected radiative climate forcing (i.e. change in net radiative flux) for typical expected aerosols and measurement conditions (e.g. solar elevations, surface albedos, radiometer altitudes). These calculations use new expressions for flux and albedo changes, which account not only for aerosol absorption, but also for instantaneous solar elevation angles and the dependence of surface albedo on solar elevation. These factors, which are usually ignored or averaged in calculations of global aerosol effects, can have a strong influence on fluxes measured in closure experiments, and hence must be accounted for in calculations if closure is to be convincingly tested. We compare the expected measurement signal to measurement uncertainties expected for various techniques in various conditions. Thereby we derive recommendations for measurement strategies that combine surface, airborne, and spaceborne measurements.

Russell, Philip B.↗

NASA NTRS1988

Steady-state evoked potentials possibilities for mental-state estimation

The use of the human steady-state evoked potential (SSEP) as a possible measure of mental-state estimation is explored. A method for evoking a visual response to a sum-of-ten sine waves is presented. This approach provides simultaneous multiple frequency measurements of the human EEG to the evoking stimulus in terms of describing functions (gain and phase) and remnant spectra. Ways in which these quantities vary with the addition of performance tasks (manual tracking, grammatical reasoning, and decision making) are presented. Models of the describing function measures can be formulated using systems engineering technology. Relationships between model parameters and performance scores during manual tracking are discussed. Problems of unresponsiveness and lack of repeatability of subject responses are addressed in terms of a need for loop closure of the SSEP. A technique to achieve loop closure using a lock-in amplifier approach is presented. Results of a study designed to test the effectiveness of using feedback to consciously connect humans to their evoked response are presented. Findings indicate that conscious control of EEG is possible. Implications of these results in terms of secondary tasks for mental-state estimation and brain actuated control are addressed.

Junker, Andrew M.↗

NASA NTRS1988

Multirate digital control system design

Methods for multirate digital control system design are discussed. A simple method for sampling rate selection based on control bandwidths is proposed. Methods for generating a discrete-time state model of a sampled-data plant and a discrete-time equivalent to an analog cost function for a sampled-data plant are described. The succesive loop closures and linear quadratic Gaussian synthesis methods are reviewed, and a constrained optimization synthesis method is introduced. The proposed sampling rate selection, discretization, and synthesis methods are applied to two example design problems. Multirate and single-rate compensators synthesized by the different methods are compared, based on closed-loop responses, with compensators having the same real-time computation load.

Berg, Martin C.↗

NASA NTRS1992

Failure analysis of thick composite cylinders under external pressure

Failure of thick section composites due to local compression strength and overall structural instability is treated. Effects of material nonlinearity, imperfect fiber architecture, and structural imperfections upon anticipated failure stresses are determined. Comparisons with experimental data for a series of test cylinders are described. Predicting the failure strength of composite structures requires consideration of stability and material strength modes of failure using linear and nonlinear analysis techniques. Material strength prediction requires the accurate definition of the local multiaxial stress state in the material. An elasticity solution for the linear static analysis of thick anisotropic cylinders and rings is used herein to predict the axisymmetric stress state in the cylinders. Asymmetric nonlinear behavior due to initial cylinder out of roundness and the effects of end closure structure are treated using finite element methods. It is assumed that local fiber or ply waviness is an important factor in the initiation of material failure. An analytical model for the prediction of compression failure of fiber composites, which includes the effects of fiber misalignments, matrix inelasticity, and multiaxial applied stresses is used for material strength calculations. Analytical results are compared to experimental data for a series of glass and carbon fiber reinforced epoxy cylinders subjected to external pressure. Recommendations for pretest characterization and other experimental issues are presented. Implications for material and structural design are discussed.

Caiazzo, A.↗

NASA NTRS2012

The Global Character of the Flux of Downward Longwave Radiation

Four different types of estimates of the surface downwelling longwave radiative flux (DLR) are reviewed. One group of estimates synthesizes global cloud, aerosol, and other information in a radiation model that is used to calculate fluxes. Because these synthesis fluxes have been assessed against observations, the global-mean values of these fluxes are deemed to be the most credible of the four different categories reviewed. The global, annual mean DLR lies between approximately 344 and 350 W/sq m with an error of approximately +/-10 W/sq m that arises mostly from the uncertainty in atmospheric state that governs the estimation of the clear-sky emission. The authors conclude that the DLR derived from global climate models are biased low by approximately 10 W/sq m and even larger differences are found with respect to reanalysis climate data. The DLR inferred from a surface energy balance closure is also substantially smaller that the range found from synthesis products suggesting that current depictions of surface energy balance also require revision. The effect of clouds on the DLR, largely facilitated by the new cloud base information from the CloudSat radar, is estimated to lie in the range from 24 to 34 W/sq m for the global cloud radiative effect (all-sky minus clear-sky DLR). This effect is strongly modulated by the underlying water vapor that gives rise to a maximum sensitivity of the DLR to cloud occurring in the colder drier regions of the planet. The bottom of atmosphere (BOA) cloud effect directly contrast the effect of clouds on the top of atmosphere (TOA) fluxes that is maximum in regions of deepest and coldest clouds in the moist tropics.

Stephens, Graeme L.↗

NASA NTRS2022

Europa Clipper Payload Verification and Validation: Avionics-Instrument Interface Test Campaign

NASA's Europa Clipper mission will investigate Jupiter's icy moon Europa using a payload suite consisting of nine instruments to address a range of scientific objectives concerning Europa's habitability. As the project proceeds past its Critical Design Review, confidence is being built in the system's ability to achieve mission objectives through the implementation of a rigorous payload verification and validation (V&V) program. As part of this payload V&V program, instrument box-level testing was performed by the payload team to verify select instrument-avionics interface requirements. This testing was performed at JPL using the avionics testbed's Bulk Data Storage Emulator (BDSEM) with visiting instrument Test Models. This paper summarizes the Data Link test campaign involving roughly four days of functional testing per instrument, including planning, testing methods, types of issues found, and the requirement closure process. Detail is also provided on the development, deployment, and validation of a standardized analysis tool used in data reviews. This testing verified requirements related to commanding rates, loss of link, packet format, clock counters, loopback test capability, and SpaceWire jitter and skew margins. Additional risk reduction testing of basic commanding, counter behavior, science data collection and transfer, and interface swapping was also performed. Because the BDSEM venue was not originally designed to be a run for record venue, the process of characterizing venue fidelity and establishing suitability for requirement closure using data collected in this venue will also be addressed.In order to close requirements, an extensible tool was developed to post-process instrument command and telemetry data from their original binary to a human-readable format and give visibility to errors detected within the data, such as packets with Cyclic Redundancy Check errors. This tool, called payload-packet-parser, is a Python 3.9 command line tool built using a variety of open-source Python libraries. Payload-packet-parser was designed to support parsing command and telemetry packets for all Europa Clipper instruments and additional analysis tools were developed for verification of specific information interface requirements. This test campaign, including post-processing using a single parsing and verification toolset, allowed for early interface testing, alleviating testing burdens on instrument teams and buying down risk on the instrument-avionics interface by finding hardware and software issues and idiosyncrasies prior to integration with system test venues. Over twenty issues were discovered across the payload, resulting in software updates and instrument rework well in advance of any system impacts. This paper concludes with an assessment of benefits and costs of this type of testing and lessons learned.

Montanez, Leticia↗

DOE OSTI2024

THM: the MOOSE thermal hydraulics module

The MOOSE Thermal Hydraulics Module (THM) is designed to facilitate the development of thermal hydraulic system models. It provides the capability to assemble networks of coupled components such as pipes, junctions, valves, turbomachinery, and heat exchangers. Its library of components supports a single-phase, compressible flow model based on a variable-area formulation of the Euler equations of gas dynamics and discretized using a finite volume scheme. THM offers a flexible system for specifying closures such as friction factors or heat transfer coefficients, allowing the user to choose from built-in correlations or define their own in the input file. A control logic system can be used to control input parameters, necessary for implementing transient scenarios and mirroring real control systems in thermal hydraulic systems. THM can be coupled with other MOOSE-based applications for multiphysics calculations. This talk will give an introduction to the capabilities of THM and provide some examples of its usage and validation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

MOOSE Thermal-Hydraulics Module - MOOSE workshop

The MOOSE Thermal Hydraulics Module (THM) is designed to facilitate the development of thermal hydraulic system models. It provides the capability to assemble networks of coupled components such as pipes, junctions, valves, turbomachinery, and heat exchangers. Its library of components supports a single-phase, compressible flow model based on a variable-area formulation of the Euler equations of gas dynamics and discretized using a finite volume scheme. THM offers a flexible system for specifying closures such as friction factors or heat transfer coefficients, allowing the user to choose from built-in correlations or define their own in the input file. A control logic system can be used to control input parameters, necessary for implementing transient scenarios and mirroring real control systems in thermal hydraulic systems. THM can be coupled with other MOOSE-based applications for multiphysics calculations. This training will give an introduction to the capabilities of THM and provide some examples of its usage and validation.

97 - MATHEMATICS AND COMPUTING↗

DOE OSTI2024

CO2 response screen in grass Brachypodium reveals the key role of a MAP kinase in CO2-triggered stomatal closure

Abstract Plants respond to increased CO2 concentrations through stomatal closure, which can contribute to increased water use efficiency. Grasses display faster stomatal responses than eudicots due to dumbbell-shaped guard cells flanked by subsidiary cells working in opposition. However, forward genetic screening for stomatal CO2 signal transduction mutants in grasses has yet to be reported. The grass model Brachypodium distachyon is closely related to agronomically important cereal crops, sharing largely collinear genomes. To gain insights into CO2 control mechanisms of stomatal movements in grasses, we developed an unbiased forward genetic screen with an EMS-mutagenized B. distachyon M5 generation population using infrared imaging to identify plants with altered leaf temperatures at elevated CO2. Among isolated mutants, a “chill1” mutant exhibited cooler leaf temperatures than wild-type Bd21-3 parent control plants after exposure to increased CO2. chill1 plants showed strongly impaired high CO2-induced stomatal closure despite retaining a robust abscisic acid-induced stomatal closing response. Through bulked segregant whole-genome sequencing analyses followed by analyses of further backcrossed F4 generation plants and generation and characterization of sodium azide and CRISPR-cas9 mutants, chill1 was mapped to a protein kinase, Mitogen-Activated Protein Kinase 5 (BdMPK5). The chill1 mutation impaired BdMPK5 protein-mediated CO2/HCO3− sensing together with the High Temperature 1 (HT1) Raf-like kinase in vitro. Furthermore, AlphaFold2-directed structural modeling predicted that the identified BdMPK5-D90N chill1 mutant residue is located at the interface of BdMPK5 with the BdHT1 Raf-like kinase. BdMPK5 is a key signaling component that mediates CO2-induced stomatal movements and is proposed to function as a component of the primary CO2 sensor in grasses.

Lopez, Bryn N. K. (ORCID:0009000937288216)↗

DOE OSTI2024

CMLM (Co-Optimized Machine-Learned Manifolds) [SWR-23-41]

Co-optimized Machine-Learned Manifolds (CMLM) is a data-driven approach for developing reduced-order manifold models for high-dimensional chemically reacting systems. It involves a specially designed neural network, the training of which simultaneously optimizes linear combinations of species that define the manifold, nonlinear mapping to outputs of interest such as reaction rates, and (optionally) subfilter closure for large eddy simulation. This software package provides an implementation of the CMLM approach in Python using the PyTorch machine learning library. A few example cases are included, showing how the tool can be applied to different types of data from 0D and 1D reacting simulations performed using Cantera. The neural networks can be saved in a format that is readable by the Pele suite of combustion solvers for use in reacting computational fluid dynamics simulations. This software repository contains several python scripts to perform various tasks associated with the Co-optimized Machine Learned Manifolds (CMLM) model, which is described in Perry, Henry de Frahan, and Yellapantula, CNF, 2022 (https://doi.org/10.1016/j.combustflame.2022.112286). This includes not only the code that defines the CMLM model, but also scripts to generate suitable training data, scripts to pre-process the data, scripts to train the CMLM model, and scripts to plot the output, as well as various other helper files. The scripts depend on several commonly used python libraries for data analysis and chemical reaction computations. The trained models that result from this tool are designed to work with the an interface being implemented in the Pele suite of reacting flow solvers (https://github.com/AMReX-Combustion).

Perry, Bruce↗

DOE OSTI2020

Active- and transfer-learning applied to microscale-macroscale coupling to simulate viscoelastic flows

Active- and transfer-learning are applied to microscale dynamics of polymer flows for the multiscale discovery of effective constitutive approximations required in viscoelastic flow simulation. The result is macroscopic rheology directly connected to a microstructural model. Micro and macroscale simulations are adaptively coupled by means of Gaussian process regression (GPR) to run the expensive microscale computations only as necessary. This multiscale method is demonstrated with flows of a polymer solution as a model system. At the microscale level dissipative particle dynamics (DPD) is employed to model the fluid as a suspension of bead-spring micro-structures subjected to steady shear flow. The results yield the non-Newtonian viscosity and the first normal stress difference at strain rates as training data used in a GPR model. DPD parameters are calibrated with respect to experimental data for a real polymer solution. Compliance with these data requires adjustment of the DPD model's cutoff radius, which then becomes a function of the second invariant of the strain rate tensor. The FENE-P model is chosen for the macroscale description using the spectral element method (SEM) to simulate channel flow and flow past a circular cylinder. The DPD results at the lowest possible shear strain rate yield an estimate of the zero-shear rate viscosity, which allows the initiation of the macroscale flow by SEM as a Newtonian fluid. The resulting strain-rate field is surveyed to determine additional shear strain rate sampling points for the DPD system. This new information allows an initial fitting of parameters of the constitutive equation followed by new SEM simulations at the macroscale. Additionally, guided by active-learning GPR to select new sampling points, this process continues until convergence is achieved. The effectiveness of this new simulation paradigm for viscoelastic flows is tested with different macroscale operating conditions. The effective closure learned in the channel simulation is then transferred directly to the flow past a circular cylinder at low Reynolds number, where the results show that only two additional DPD simulations are required to achieve a satisfactory constitutive model. With an increase of the Reynolds number, the active-learning scheme automatically detects the inaccuracy of the learned constitutive model, and initiates additional DPD simulations for the extra data needed to once again close the microscale-macroscale coupled system. This new paradigm of active- and transfer-learning for multiscale modeling is readily applicable to other microscale-macroscale coupled simulations of complex fluids and other materials. Furthermore, the coupling between microscale and macroscale solvers can be seamlessly implemented with our open source multiscale universal interface (MUI) library.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1990

Infrared reflectance measurements of the insulator-metal transition in solid hydrogen

Reflectance measurements on solid hydrogen to 177 GPa (1.77 Mbar) have been performed from near-infrared to ultraviolet wavelengths (0.5 to 3 eV). Above 150 GPa characteristic free-electron behavior in the infrared region is observed to increase sharply with increasing pressure. Analysis of volume dependence of the plasma frequency obtained from Drude-model fits to the spectra indicates that the pressure of the insulator-metal transition is 149 (+ or - 10) GPa at 295 K. The measurements are consistent with metallization by closure of an indirect gap in the molecular solid.

Mao, H. K.↗

NASA NTRS1995

Diagnostic Statistics for the Assessment and Characterization of Complex Turbulent Flows

A simple parameterization scheme for a complex turbulent flow using nondimensional parameters coming from the Reynolds stress equations is given. Definitions and brief descriptions of the physical significance of several nondimensional parameters that are used to characterize turbulence from the viewpoint of single-point turbulence closures are given. These nondimensional parameters reflect measures of (1) the spectral band width of the turbulence; (2) deviations from the ideal Kolmogorov behavior; (3) the relative magnitude, orientation, and temporal duration of the deformation to which the turbulence is subjected; (4) one and two-point measures of the large and small scale anisotropy of the turbulence; and (5) inhomogeneity. This is an attempt to create a more systematic methodology for the diagnosis and classification of turbulent flows as well as in the development, validation, and application of turbulence model strategies. The parameters serve also to indicate the adequacy of various assumptions made in single-point turbulence models and in suggesting the appropriate turbulence strategy for a particular complex flow. The compilation will be of interest to experimentalists and to those involved in either computing turbulent flows or whose interests lies in verifying the adequacy of the phenomenological beliefs used in turbulence closures.

Ristorcelli, J. R.↗

NASA NTRS2000

Clear-Sky Closure Studies of Tropospheric Aerosol and Water Vapor During ACE-2 Using Airborne Sunphotometer, Airborne In-Situ, Space-Borne, and Ground-Based Measurements

We report on clear-sky column closure experiments (CLEARCOLUMN) performed in the Canary Islands during the second Aerosol Characterization Experiment (ACE-2) in June/July 1997. We present CLEARCOLUMN results obtained by combining airborne sunphotometer and in-situ (a differential mobility analyzer, three optical particle counters, three nephelometers, and one absorption photometer) measurements taken aboard the Pelican aircraft, space-borne NOAA/AVHRR data and ground-based lidars. A wide range of aerosol types was encountered throughout the ACE-2 area, including background Atlantic marine, European pollution-derived, and (although less frequently than expected) African mineral dust. During the two days discussed here, vertical profiles flown in cloud free air masses revealed three distinctly different layers: a marine boundary layer (MBL) with varying pollution levels, an elevated dust layer, and a very clean layer between the MBL and the dust layer. Based on size-resolved composition information we have established an aerosol model that allows us to compute optical properties of the ambient aerosol using the optical particle counter results. In the dust, the agreement in layer AOD (lambda=380-1060 nm) is 3-8%. In the MBL there is a tendency for the in-situ results to be slightly lower than the sunphotometer measurements (10-17% at lambda=525 nm), but these differences are within the combined error bars of the measurements and computations. Aerosol size-distribudon closure based on in-situ size distributions and inverted sunphotometer extinction spectra has been achieved in the MBL (total surface area and volume agree within 0.2, and 7%, respectively) but not in the dust layer. The fact that the three nephelometers operated at three different relative humidities (RH) allowed to parameterize hygroscopic growth and to therefore estimate optical properties at ambient RH. The parameters derived for different aerosol types are themselves useful for the aerosol modeling community. The fact that the nephelometers and the absorption photometer sampled the aerosol through a cyclone make those measurements less useful for thee closure study carried out here. Large corrections (especially in the dust) had to be applied. Therefore, it is not surprising that closure with the sunphotometer was not always achieved. Agreement within 0.02 in AOD was achieved in the dust layer when the airorne sunphotometer extinction or AOD was compared to ground-based lidar measurements. We found that the presence of the elevated dust layers removes the good agreement between satellite and sunphotometer AOD usually found in the absence of the dust layer. We still compare the scattering phase functions used in the satellite retrieval with those obtained from the aerosol or the sunphotometer measurements.

Schmid, Beat↗

NASA NTRS2019

Water Storage Trends in High Mountain Asia

Changes in terrestrial water storage (TWS) in High Mountain Asia (HMA) could have major societal impacts, as the region’s large reservoirs of glaciers, snow, and groundwater provide a freshwater source to more than one billion people. We seek to quantify and close the budget of secular changes in TWS over the span of the GRACE satellite mission (2003–2016). To assess the TWS trend budget we consider a new high-resolution mass trend product determined directly from GRACE L1B data, glacier mass balance derived from Digital Elevation Models (DEMs), groundwater variability determined from confined and unconfined well observations, and terrestrial water budget estimates from a suite of land surface model simulations with the NASA Land Information System (LIS). This effort is successful at closing the aggregated TWS trend budget over the entire HMA region, the glaciated portion of HMA, and the Indus and Ganges basins, where the full-region trends are primarily due to the glacier mass balance and groundwater signals. Additionally, we investigate the closure of TWS trends at individual 1-arc-degree mascons (area ≈12,000 km2); a significant improvement in spatial resolution over previous analyses of GRACE-derived trends. This mascon-level analysis reveals locations where the TWS trends are well-explained by the independent datasets, as well as regions where they are not; identifying specific geographic areas where additional data and model improvements are needed. The accurate characterization of total TWS trends and its components presented here is critical to understanding the complex dynamics of the region, and is a necessary step toward projecting future water mass changes in HMA.

Bryant D Loomis↗

NASA NTRS2010

Waterhammer Modeling for the Ares I Upper Stage Reaction Control System Cold Flow Development Test Article

The Upper Stage Reaction Control System provides three-axis attitude control for the Ares I launch vehicle during active Upper Stage flight. The system design must accommodate rapid thruster firing to maintain the proper launch trajectory and thus allow for the possibility to pulse multiple thrusters simultaneously. Rapid thruster valve closure creates an increase in static pressure, known as waterhammer, which propagates throughout the propellant system at pressures exceeding nominal design values. A series of development tests conducted in the fall of 2009 at Marshall Space Flight Center were performed using a water-flow test article to better understand fluid performance characteristics of the Upper Stage Reaction Control System. A subset of the tests examined waterhammer along with the subsequent pressure and frequency response in the flight-representative system and provided data to anchor numerical models. This thesis presents a comparison of waterhammer test results with numerical model and analytical results. An overview of the flight system, test article, modeling and analysis are also provided.

Williams, Jonathan H.↗

DOE OSTI2026

Data-based filtered dissipation rate modelling for multi-modal turbulent combustion: evaluating a priori model generalizability

Manifold-based models offer a computationally efficient alternative to directly transporting the thermochemical state in computational simulations of turbulent reacting flows, projecting the high-dimensional thermochemical state-space onto a low-dimensional manifold. Recent efforts have yielded a manifold-based model applicable to multi-modal combustion, enabling reconstruction of the thermochemical state from solutions to two-dimensional manifold equations in mixture fraction and generalized progress variable that are parameterised by three scalar dissipation rates. In coarse-grained simulations such as Large Eddy Simulation (LES), closure of the multi-modal manifold equations and subfilter variances/covariance requires closure of three filtered scalar dissipation rates. Here, the present work adopts a data-based approach, providing closure for the three filtered scalar dissipation rates via deep neural networks (DNNs). High-fidelity datasets corresponding to an autoigniting n-dodecane jet flame and a bluff body swirl-stabilized confined lifted spray flame of two aviation fuels (Jet-A and C1) with different ignition propensities are leveraged to generate training data that spans a diverse range of thermodynamic conditions and combustion modes, including low- and high-temperature ignition regimes in addition to premixed and nonpremixed behaviour. A final DNN model is trained to enforce inherent physical constraints by learning nonlinear functional transformations of the three filtered scalar dissipation rates. The generalizability of this constrained DNN model is demonstrated a priori via conditional statistics evaluated on the lifted spray flame with C1–a configuration that had not been included in the training data. Excellent DNN agreement with conditional DNS statistics is observed, and integrated gradients are computed to identify the most sensitive input variables. The similarity of the marginal PDFs of the most informative input variables and outputs across configurations are quantified via the Wasserstein metric, demonstrating that data-based models may successfully generalize to unseen parametric conditions so long as the most informative input variables share similar distributions across training and testing datasets.

Data-based modelling↗