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At least 289 records · Page 16

The GPM Ground Validation Program

We present a detailed overview of the structure and activities associated with the NASA-led ground-validation component of the NASA-JAXA Global Pre­cipitation Measurement (GPM) mission. The overarching philosophy and approaches for NASA's GV program are presented with primary focus placed on aspects of direct validation and a summary of physical validation campaigns and results. We describe a spectrum of key instruments, methods, field campaigns and data products developed and used by NASA's GV team to verify GPM level-2 precipitation products in rain and snow. We describe the tools and analysis framework used to confirm that NASA's Level-I science requirements for GPM are met by the GPM Core Observatory. Examples of routine validation activities related to verification of Integrated Multi­satellitE Retrievals for GPM (IMERG) products for two different regions of the globe (Korea and the US) are provided, and a brief analysis related to IMERG performance in the extreme rainfall event associated with Hurricane Florence is discussed.

precipitation↗

The Salinity Pilot-Mission Exploitation Platform (Pi-MEP): A Hub for Validation and Exploitation of Satellite Sea Surface Salinity Data

The Pilot-Mission Exploitation Platform (Pi-MEP) for salinity is an ESA initiative originally meant to support and widen the uptake of Soil Moisture and Ocean Salinity (SMOS) mission data over the ocean. Starting in 2017, the project aims at setting up a computational web-based platform focusing on satellite sea surface salinity data, supporting studies on enhanced validation and scientific process over the ocean. It has been designed in close collaboration with a dedicated science advisory group in order to achieve three main objectives: gathering all the data required to exploit satellite sea surface salinity data, systematically producing a wide range of metrics for comparing and monitoring sea surface salinity products’ quality, and providing user-friendly tools to explore, visualize and exploit both the collected products and the results of the automated analyses. The Salinity Pi-MEP is becoming a reference hub for the validation of satellite sea surface salinity missions by providing valuable information on satellite products (SMOS, Aquarius, SMAP), an extensive in situ database (e.g., Argo, thermosalinographs, moorings, drifters) and additional thematic datasets (precipitation, evaporation, currents, sea level anomalies, sea surface temperature, etc.). Co-localized databases between satellite products and in situ datasets are systematically generated together with validation analysis reports for 30 predefined regions. The data and reports are made fully accessible through the web interface of the platform. The datasets, validation metrics and tools (automatic, user-driven) of the platform are described in detail in this paper. Several dedicated scientific case studies involving satellite SSS data are also systematically monitored by the platform, including major river plumes, mesoscale signatures in boundary currents, high latitudes, semi-enclosed seas, and the high-precipitation region of the eastern tropical Pacific. Since 2019, a partnership in the Salinity Pi-MEP project has been agreed between ESA and NASA to enlarge focus to encompass the entire set of satellite salinity sensors. The two agencies are now working together to widen the platform features on several technical aspects, such as triple-collocation software implementation, additional match-up collocation criteria and sustained exploitation of data from the SPURS campaigns

ocean↗

GeoCarb L2 Validation- Albedo Error Propagation into XCO2 in the Near Infrared

GeoCarb validation activities Pre-launch validation •Thermovac: Nov-Jan, 2022/3: Edwards/Dryden will move to Palo Alto Nov-March 2022/3 •Day-in-the life simulation-2022 •Simulations near Dallas, TX •Validation of TROPOMI in GeoCarb domain-2022 2GeoCarb post-launch GeoCarb will have gas precision of: •0.3% (1.2 ppm) for XCO2 •0.6% (11 ppb) for XCH4 •10% or 12 ppb for XCO GeoCarb SIF with precision of better than 0.75 W/m2/um/sr GeoCarb will utilize TCCON, GML/DOE aircraft, AirCore, and any validation site with systematic errors better than GeoCarb’s

GeoCarb↗

Validation of IMERG Oceanic Precipitation over Kwajalein

The integrated Multi-satellitE Retrievals for GPM (IMERG) Version V05B and V06B precipitation products from the Global Precipitation Measurement (GPM) mission are validated against ground-based observations from the Kwajalein Polarimetric S-band Weather Radar (KPOL) deployed at Kwajalein Atoll in the central Pacific Ocean. Such a validation is particularly important as comprehensive surface measurements over the oceans are practically infeasible, which hampers the identification of possible errors, and improvement of future versions of IMERG and other satellitebased retrieval algorithms. The V05B and V06B IMERG products are validated at their native 0.1°, 30 min resolution from 2014 to 2018 based on both volumetric and categorical metrics. This validation study indicates that precipitation rates from both IMERG V05B and V06B are underestimated with respect to radar surface estimates, but the underestimation is much reduced from V05B IMERG V06B outperforms V05B with reduced systematic bias and improved precipitation detectability. The IMERG performance is further traced back to its individual sensors and morphing-based algorithms. The overall underestimation in V05B is mainly driven by the negative relative biases from morphing-based algorithms which are largely corrected in V06B. Imagers perform generally better than sounders because of the usage of low-frequency channels in imagers which can better detect emission signals by the hydrometeors. Among imagers, the GPM Microwave Imager (GMI) and Advanced Microwave Scanning Radiometer Version 2 (AMSR2) are the best, followed by Special Sensor Microwave Imager/Sounder (SSMIS). Among sounders, the Microwave Humidity Sounder (MHS) is the best, followed by Advanced Technology Microwave Sounder (ATMS) and the Sounder for Atmospheric Profiling of Humidity in the Intertropics by Radiometry (SAPHIR) for V06B. Among all categories, morph-only and IR+morph only perform better than SAPHIR. SAPHIR shows the worst performance among all categories, likely due to its limited channel selection. It is envisaged that these results will improve our understanding of IMERG performance over oceans and aid in the improvement of future versions of IMERG.

KPOL↗

SPHINX: An SEP Model Validation Infrastructure developed through Community Challenges and the SEP Scoreboards

Solar Energetic Particle (SEP) events are interesting from a scientific perspective as they are the product of a broad set of physical processes from the corona out through the extent of the heliosphere, and provide insight into processes of particle acceleration and transport that are widely applicable in astrophysics. From the operations perspective, SEP events pose a radiation hazard for aviation, electronics in space, and human space exploration, in particular for missions outside of the Earth’s protective magnetosphere including to the Moon and Mars (Whitman et al 2022). For these reasons, SEP modelers have developed a rich and diverse set of models with a wide variety of aims. Some models probe the basic physics at the heart of particle acceleration and transport. Others produce fast statistical forecasts or employ disruptive new techniques like Machine Learning with the goal to assist end users in making operational decisions. To enable a consistent and quantitative understanding of SEP model performance, a generalized, automated validation infrastructure, called SPHINX, is being developed at NASA SRAG in close collaboration with NASA CCMC, NASA M2M, NOAA SWPC, and BIRA-IASB. This infrastructure has been built up through a multi-year community challenge. Starting in 2018 at the SHINE workshop, an effort was launched through SHINE, ISWAT, and ESWW to encourage quantitative, comprehensive, and consistent validation of SEP models. This effort has defined a set of challenge SEP events with the aim of generating quantitative comparisons between forecasts and observations and a set of challenge “non-events” to assess false alarms. In 2023, these challenge lists have been extended to statistically significant numbers with a prescribed set of rules for producing forecasts and supported through the dedicated SEPVAL working meetings. The participation of the research community has allowed the infrastructure to validate all the types of outputs being produced by SEP models. In parallel, the SPHINX code is being applied to real time forecasts submitted to the SEP Scoreboards, ensuring that the validation infrastructure can interpret forecasts produced in an operational scenario and provide metrics meaningful for operations. Upon completion, SPHINX and its interactive user interface, SPHINX-Web, will be made available for public use.

space weather↗

Pretest Simulations of a Supersonic Mixing and Combustion Validation Experiment to Assess Sensitivities

The reliance on CFD simulations to develop, design, and optimize scramjet systems (or components) has become commonplace. This reliance inevitably hinges on the ability of the computational analyst to quantify the level of confidence in their computational results. Unfortunately, nearly all the measured data available for this assessment comes from antiquated experimental datasets, or from tests that focused on the extraction of scramjet system (or component) performance. The objective of a CFD validation experiment is to quantify the predictive accuracy of one or more of the CFD physics submodels, implying that other uncertainties related to replicating the facility flow environment (e.g., knowledge of boundary conditions) must be minimized to the extent possible. This inevitably places stringent requirements on the quality and quantity of measurements taken to accurately specify inflow, outflow, and surface conditions for the CFD simulations; in addition to the measurements taken for the validation of physics submodels. This places additional demands on the experimental process above and beyond those for test article performance assessment. A recent high speed code credibility workshop series sponsored by AFRL identified a gap in existing validation data for fundamental assessments of turbulent mixing and combustion CFD closure models at scramjet engine relevant conditions. To address this gap, engineers at AFRL have designed a coaxial jet flame configuration that will be tested at two facilities (Research Cell 19 at the Air Force Research Lab, and at Purdue University). The effort described here documents pretest simulations of this validation experiment with the goal of fleshing out the extent of the facility flowpath that must be included to adequately reproduce the facility test section flow environment. The findings indicate that the flow around the support structure for the fuel injection centerbody upstream of the facility nozzle generates disturbances that persist throughout the nozzle expansion process; corrupting the azimuthal symmetry that was desired in the fuel/air mixing region of the test section. Simulations without this support structure maintained a high degree of azimuthal symmetry up until the fuel injection plane. However, even in this scenario the azimuthal symmetry was not maintained once the centerbody boundary layer transitioned to a wake flow downstream of the fuel injection plane.

CFD↗

Pretest Simulations of a Supersonic Mixing and Combustion Validation Experiment to Assess Sensitivities

The reliance on CFD simulations to develop, design, and optimize scramjet systems (or components) has become commonplace. This reliance inevitably hinges on the ability of the computational analyst to quantify the level of confidence in their computational results. Unfortunately, nearly all the measured data available for this assessment comes from antiquated experimental datasets, or from tests that focused on the extraction of scramjet system (or component) performance. The objective of a CFD validation experiment is to quantify the predictive accuracy of one or more of the CFD physics submodels, implying that other uncertainties related to replicating the facility flow environment (e.g., knowledge of boundary conditions) must be minimized to the extent possible. This inevitably places stringent requirements on the quality and quantity of measurements taken to accurately specify inflow, outflow, and surface conditions for the CFD simulations; in addition to the measurements taken for the validation of physics submodels. This places additional demands on the experimental process above and beyond those for test article performance assessment. A recent high speed code credibility workshop series sponsored by AFRL identified a gap in existing validation data for fundamental assessments of turbulent mixing and combustion CFD closure models at scramjet engine relevant conditions. To address this gap, engineers at AFRL have designed a coaxial jet flame configuration that will be tested at two facilities (Research Cell 19 at the Air Force Research Lab, and at Purdue University). The effort described here documents pretest simulations of this validation experiment with the goal of fleshing out the extent of the facility flowpath that must be included to adequately reproduce the facility test section flow environment. The findings indicate that the flow around the support structure for the fuel injection centerbody upstream of the facility nozzle generates disturbances that persist throughout the nozzle expansion process; corrupting the azimuthal symmetry that was desired in the fuel/air mixing region of the test section. Simulations without this support structure maintained a high degree of azimuthal symmetry up until the fuel injection plane. However, even in this scenario the azimuthal symmetry was not maintained once the centerbody boundary layer transitioned to a wake flow downstream of the fuel injection plane.

CFD↗

Realistic Synthetic Distribution Grids: Summary of Validation Results

The presentation slides will walk us through the validation process and results of the synthetic distribution grid data. The synthetic grids for the distribution systems were developed as part of the ARPA-E funded GRIDDATA program project, SMART-DS. Three large scale datasets for US style distribution system were developed: 1) SAF: Santa Fe urban region, 2) GSO: Greensboro urban, semi-urban and industrial region, and 3) SFO: San Francisco Bay Area urban, semi-urban, industrial and rural areas. These datasets were validated using a three-pronged validation process, including statistical, operational and expert validation phases; the results of which have been summarized in this deck.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Subcomponent Validation of Composite Joints for Marine Energy Structures

The Marine Energy Advanced Materials project addresses the barriers and uncertainties facing marine renewable energy developers in using composite materials for load-bearing structures. Sponsored by the U.S. Department of Energy's Water Power Technologies Office, the multiyear project comprises of collaborators from the National Renewable Energy Laboratory (NREL), Sandia National Laboratories, Pacific Northwest National Laboratory (PNNL), Montana State University (MSU), Florida Atlantic University (FAU), and industry stakeholders. As part of the Marine Energy Advanced Materials project, marine renewable energy industry surveys and assessments were conducted to identify key materials and knowledge gaps that hinder the adoption of composite materials in marine renewable energy structures. Specific knowledge gaps highlighted for composite materials were environmental effects, fatigue strengths, and bonded and bolted interconnects (composite/composite and composite/metal). It was concluded that many of these gaps could be addressed through subcomponent validation; consequently, a program was developed at NREL with the goals of developing subcomponent validation methods for appropriate marine energy materials, which would improve the understanding of design allowables for full-scale structural components and joints. Ultimately, the aim is to reduce timelines and costs associated with full-scale structural validation efforts while also providing near-net-scale static and fatigue data of composite/metal subcomponents for marine renewable energy systems. To approach these goals, a testing program was developed at NREL to investigate a variety of materials and structural design details at the subcomponent scale to understand (a) the effects of harsh and corrosive marine energy environments and (b) the static and fatigue strengths of the complex geometries. The recent study from this testing program is perhaps the largest that has ever been conducted with respect to specimen scale and geographic diversity of underwater environmental conditions that the specimens were subjected to. A variety of specimen geometries were designed by NREL to highlight key features of multimaterial (composite/composite or metal/composite) interconnects that may be used in marine renewable energy structural designs. The designs used several different composite matrices, adhesives, and marine-grade steels, which were highlighted in the surveys as being the most appropriate for harsh marine environments. Composite panels were then manufactured at MSU, and were subsequently manufactured into test specimens by NREL. The specimens were shipped to FAU and PNNL for conditioning in ocean water tanks at various temperatures for an extended period. The specimens were then returned to NREL for structural validation. This presentation will provide an overview of recent advances within the testing program in terms of specimen design and test methods, and will discuss results and key findings of the subcomponent testing program to date at NREL.

adhesives↗

Bison Verification and Validation Activities for TRISO

Numerical modeling and simulation (M&S) tools play a key role in the research, development, and overall safety assessments of next-generation nuclear energy systems. One such tool, Bison, is a nuclear fuel performance code that is applicable to many fuel forms (e.g., light-water reactor fuel, oxide and metallic fuel for fast reactors, tri-structural isotropic (TRISO) fuel, and plate fuel), and it uses the finite element method to model the thermo- mechanical response of nuclear fuels. One fuel form widely utilized in Generation-IV high-temperature gas-cooled and fluoride- salt-cooled nuclear reactor concepts is TRISO fuel. Recently, Bison’s capabilities were significantly expanded to enable it to model the performance of TRISO particles and compacts. It is important that Bison’s computational results be reliable and predictive, since this code is used to inform high-consequence decisions. The various processes developed to address this issue generally entail two fundamental steps: verification and validation (V&V). Verification ensures that the code functions correctly and is reliable. Code/solution verification, code benchmark, and software quality assurance exercises are examples of verification activities. On the other hand, validation is the process of assessing a code’s capability to accurately model physical problems. Comparisons between code results and experiments quantify the validation level. Application of V&V procedures is crucial to the development of computational tools that are free of coding mistakes and can accurately represent reality. The current study presents an overview of Bison V&V activities relevant to the TRISO fuel concept, which include code/solution verification exercises, CRP-6 Benchmark—a Coordinated Research Program through the International Atomic Energy Agency (IAEA)—exercises, and validation exercises with the Advanced Gas Reactor (AGR)- 1/2/3/4 experiment series.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Pronghorn Porous Media Model Validation with Pressure Drop Measurements

The verification and validation (V&V) of Pronghorn is imperative to assert its accuracy when predicting the fluid velocity, temperature, and pressure in high temperature gas-cooled reactors. Pronghorn is a coarse-mesh, intermediate-fidelity, and multidimensional thermal-hydraulics (TH) code developed by the Idaho National Laboratory (INL). New pebble bed experiments are used to observe the details of the fluid motion and pressure drop in the porous bed under the reactor normal operation. This paper focuses on the validation of the Pronghorn compressible and incompressible Navier-Stokes equations using the pressure drop measurements performed at the engineering-scale pebble bed facility at the Texas A&M university (TAMU). Various pressure drop correlations and porosity functions are implemented in both Pronghorn and STAR-CCM+ to compare the pressure drop due to the combined viscous and inertial resistances in the porous bed. The correlations accounting for the near-wall effect are also utilized to observe if the pressure drop estimates can be improved. Pronghorn porous media models predict the pressure drop well relative to the STAR-CCM+ simulation results and 1D correlations, and both the finite element method (FEM) and finite volume method (FVM) perform accurately. Pronghorn models are also validated with the experimental measurements given the different Reynolds number ranges and specific aspect ratios. The likelihood of the statistical significance between the pressure drop measurements and specific correlations or simulations is low provided that the overlap of their confidence intervals is more than the half of a single arm. Several validation metrics are reasonable in regard to the similar studies from other literature. The precise average pebble bed porosity estimation has much impact on the pressure drop, and the Foumeny and Montillet (dense packing) models carry out the accurate pressure drop prediction by considering the near-wall effect.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

VALIDATION, VERIFICATION, AND CALIBRATION THROUGH A CAUSAL LENS

This paper presents an alternative method based on causal inference to perform validation, verification, and calibration of simulation models. While classical validation and verification approaches focus on the identification of the associations between data elements using statistical and machine learning methods, the novel methods in this paper focus instead on the identification of causal relationships between data elements. Statistical and machine learning-based approaches are strictly data-driven, meaning that they provide quantitative comparison measures between datasets without explicitly considering the hypotheses behind them. This can lead to the erroneous conclusion that, if two data sets are close enough, then the models that generated them are similar. In addition, when experimental and simulated data differ to an extent that fails to meet the acceptance criteria, calibration techniques are used to tweak simulation model parameters to reduce the gap between the two types of data. This produces the false expectation that a simulation model will match reality. The methods presented in this paper move away from these strictly data-driven methods for validation and calibration toward more robust, model-driven methods based on causal inference. Causal inference aims to identify the possible mechanisms that might have generated data. Thus, this analysis targets the prediction of the effects when one (or more) of the identified mechanisms are altered. There are many approaches to identify, quantify and illustrate causal relationships. For the scope of this paper, directed graphs are employed as causal models. If the directed graph lacks cycles it is known as a directed acyclic graph (DAG). A node in such a graph represents an observed data element while a directed edge connecting two nodes represents a causal relationship between two variables. The developed causal methods are designed to extract causal models from simulation models and from experimental data. Causal models capture the causal relationships between data elements (e.g., simulated and experimental data). In this context, validation and verification are performed by comparing causal models. The proposed approach does not only inform system analysts on how a simulation model matches real-world data, but also identifies elements of the simulation model that should be revised when discrepancies between simulation and experimental data are observed. Through these causal methods, analysts have a means to identify the portion of the model equation(s) that are behind an edge connecting two variables. Hence, once the structural differences between causal models have been determined, model calibration can occur by changing only those model parameters that impact the identified causal relationships.

97 MATHEMATICS AND COMPUTING↗

RELAP5-3D HTGR Validation Work at Idaho National Laboratory

Prismatic block-type high-temperature gas-cooled reactors (HTGRs) were built in the United States decades ago, and now advanced reactor vendors are seeking to deploy them again for a variety of applications. Deploying these reactors requires modelling and simulation tools that have been validated against conditions representative of the HTGR application. Idaho National Laboratory (INL) is leading the execution an of HTGR thermal hydraulics benchmark to accelerate the validation of thermal hydraulics modelling and simulation tools for these applications. That benchmark is based on a facility called the High Temperature Test Facility (HTTF). This work provides an overview of work conducted at INL over the last 2 years to validate RELAP5-3D against data from HTTF. This presentation shows results from multiple RELAP5-3D models and an HTTF experiment to assess the impact of certain modelling assumptions on results. The contents of this talk sit on the cutting edge of RELAP5-3D validation for HTGR analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Validation of Scale-Derived Ages in Wild Juvenile and Adult Steelhead Using Parental-Based Tagging

Abstract Accurate age information is a critical component in fisheries monitoring, management, and research. The ability to assign accurate ages to fish by using nonlethal structures is vital in calculating cohort productivity for fish species with low abundances and variable life histories. A common nonlethal method to assign ages is by interpretation of patterns in scales. Validation of ages is not easily obtained for free-ranging fishes; however, the development of genetic “tags” has expanded age validation opportunities. In this study, we used parental-based genetic tagging to validate ages determined from scales collected from juvenile and adult steelhead Oncorhynchus mykiss in two streams within the Snake River basin. Juvenile scale ages were in agreement with 93% of the known ages. Adult scale ages were in agreement with 89% of the known ages. Although overall bias in juvenile ages was very low, we saw a slight positive bias in younger fish (young of the year and age 1) and a small negative bias in older juveniles (ages 2–4). A small negative bias in ages of adults was a consequence of errors in freshwater age. The errors observed did not significantly bias age compositions because the 90% confidence intervals about the age proportions based on scales contained the known proportions; therefore, scale analysis is an acceptable method for assigning ages to Snake River steelhead. We discuss the value of validated known-age scales as a reference collection, and as an illustrative use, we constructed a circulus count guide to aid technicians in identifying missing annuli and distinguishing true from false annuli. To demonstrate the use of the circulus guidelines, we reanalyzed samples with age discrepancies, applying the circulus count data and the known age to identify mistakes.

Reinhardt, Leslie↗

Development and cross‐validation of a circumference‐based predictive equation to estimate body fat in an active population

Abstract Objective The U.S. Army uses sex‐specific circumference‐based prediction equations to estimate percent body fat (%BF) to evaluate adherence to body composition standards. The equations are periodically evaluated to ensure that they continue to accurately assess %BF in a diverse population. The objective of this study was to develop and validate alternative field expedient equations that may improve upon the current Army Regulation (AR) body fat (%BF) equations. Methods Body size and composition were evaluated in a representatively sampled cohort of 1904 active‐duty Soldiers (1261 Males, 643 Females), using dual‐energy X‐ray absorptiometry (%BF DXA ), and circumferences obtained with 3D imaging and manual measurements. Sex stratified linear prediction equations for %BF were constructed using internal cross validation with %BF DXA as the criterion measure. Prediction equations were evaluated for accuracy and precision using root mean squared error, bias, and intraclass correlations. Equations were externally validated in a convenient sample of 1073 Soldiers. Results Three new equations were developed using one to three circumference sites. The predictive values of waist, abdomen, hip circumference, weight and height were evaluated. Changing from a 3‐site model to a 1‐site model had minimal impact on measurements of model accuracy and performance. Male‐specific equations demonstrated larger gains in accuracy, whereas female‐specific equations resulted in minor improvements in accuracy compared to existing AR equations. Equations performed similarly in the second external validation cohort. Conclusions The equations developed improved upon the current AR equation while demonstrating robust and consistent results within an external population. The 1‐site waist circumference‐based equation utilized the abdominal measurement, which aligns with associated obesity related health outcomes. This could be used to identify individuals at risk for negative health outcomes for earlier intervention.

Taylor, Kathryn M.↗

Comparison and validation of the QuEChERSER mega-method for determination of per- and polyfluoroalkyl substances in foods by liquid chromatography with high-resolution and triple quadrupole mass spectrometry

Instances of food contamination with per- and polyfluoroalkyl substances (PFAS) continue to occur globally, but sample preparation and analytical methods are quite limited and often monitor for a small percentage of known PFAS. This study aimed to evaluate, validate, and compare performance of two instruments with the recently developed “quick, easy, cheap, effective, rugged, safe, efficient, and robust” (QuEChERSER) sample preparation mega-method – a method developed to monitor chemicals over a broad range of physicochemical properties. Initial evaluation of the QuEChERSER mega-method for determination of PFAS in food demonstrated recoveries, matrix interferences, and co-extractive removal comparable to (or better than) US Food and Drug Administration (FDA) and USDA Food Safety and Inspection Service (FSIS) methods. Subsequent validation of QuEChERSER in beef, catfish, chicken, pork, liquid eggs, and powdered eggs on a high-resolution mass spectrometer achieved acceptable recoveries (70–120%) and precision (RSDs ≤20%) for all 33 target analytes at the 1 and 5 ng g –1 levels and 67–88% of analytes at the 0.1 ng g –1 level, depending on the matrix. Additional validation was performed by tandem mass spectrometry on a triple quadrupole instrument. This approach provided no non-detects and better recoveries at the 0.1 ng g –1 level than the HRMS method but exhibited more variability at 1 and 5 ng g –1 spiking levels. Analysis of NIST SRMs 1946 and 1947 gave accuracies of 70–117%. Furthermore, these results demonstrate the capability of combining PFAS analysis with a mega-method previously validated for 350 analytes, while collecting non-target data for future retrospective analysis of emerging alternatives with a high-resolution mass spectrometry method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A non-cooperative meta-modeling game for automated third-party calibrating, validating and falsifying constitutive laws with parallelized adversarial attacks

The evaluation of constitutive models, especially for high-risk and high-regret engineering applications, requires efficient and rigorous third-party calibration, validation and falsification. While there are numerous efforts to develop paradigms and standard procedures to validate models, difficulties may arise due to the sequential, manual, and often biased nature of the commonly adopted calibration and validation processes, thus slowing down data collections, hampering the progress towards discovering new physics, increasing expenses and possibly leading to misinterpretations of the credibility and application ranges of proposed models. This work attempts to introduce concepts from game theory and machine learning techniques to overcome many of these existing difficulties. Here, we introduce an automated meta-modeling game where two competing AI agents systematically generate experimental data to calibrate a given constitutive model and to explore its weakness such that the experiment design and model robustness can be improved through competitions. The two agents automatically search for the Nash equilibrium of the meta-modeling game in an adversarial reinforcement learning framework without human intervention. In particular, a protagonist agent seeks to find the more effective ways to generate data for model calibrations, while an adversary agent tries to find the most devastating test scenarios that expose the weaknesses of the constitutive model calibrated by the protagonist. By capturing all possible design options of the laboratory experiments into a single decision tree, we recast the design of experiments as a game of combinatorial moves that can be resolved through deep reinforcement learning by the two competing players. Our adversarial framework emulates idealized scientific collaborations and competitions among researchers to achieve a better understanding of the application range of the learned material laws and prevent misinterpretations caused by conventional AI-based third-party validation. Numerical examples are given to demonstrate the wide applicability of the proposed meta-modeling game with adversarial attacks on both human-crafted constitutive models and machine learning models.

97 MATHEMATICS AND COMPUTING↗

Experimental validation of solid oxide fuel cell polarization modeling: An LSM-YSZ/YSZ/Ni-YSZ case study

Polarization modeling based on the measured I-V curves is a useful tool for analyzing SOFC performance and diagnosing performance limitations. Using the polarization model, the overpotential of a cell is usually separated into different polarization contributions, including area specific ohmic polarization, activation polarization, and anodic and cathodic concentration polarizations. In this study, we aim to experimentally validate the accuracy of the polarization model. As a case study, anode-supported cells with LSM-YSZ/YSZ/Ni-YSZ configuration are used. By curve-fitting the I-V curves of a cell tested under different cathode oxygen partial pressures into the polarization model, the contributions of different polarization losses are quantified. To validate the polarization model, independent experiments/studies including electrochemical impedance spectroscopy, cathode kinetics study, ex-situ diffusivity measurement, and tortuosity measurement using 3D reconstructed anode are conducted. The results from polarization modeling and from validation studies are in good agreement, thereby validating the polarization model for SOFC performance analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗