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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Validation Metrics for Deterministic and Probabilistic Data

Computational modeling and simulation are paramount to modern science. Computational models often replace physical experiments that are prohibitively expensive, dangerous, or occur at extreme scales. Thus, it is critical that these models accurately represent and can be used as replacements for reality. This paper provides an analysis of metrics that may be used to determine the validity of a computational model. While some metrics have a direct physical meaning and a long history of use, others, especially those that compare probabilistic data, are more difficult to interpret. Furthermore, the process of model validation is often application-specific, making the procedure itself challenging and the results difficult to defend. We therefore provide guidance and recommendations as to which validation metric to use, as well as how to use and decipher the results. Furthermore an example is included that compares interpretations of various metrics and demonstrates the impact of model and experimental uncertainty on validation processes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Verification and Validation of the FLAG Hydrocode for Impact Cratering Simulations

Verification and validation (V&V) are necessary processes to ensure accuracy of the computational methods used to solve problems key to vast numbers of applications and industries. Simulations are essential for addressing impact cratering problems, because these problems often exceed experimental capabilities. We show that the free Lagrange (FLAG) hydrocode, developed at Los Alamos National Laboratory (Los Alamos, NM), can be used for impact cratering simulations by verifying FLAG against two analytical models of aluminum-on-aluminum impacts at different impact velocities and validating FLAG against a glass-into-water laboratory impact experiment. Our verification results show good agreement with the theoretical maximum pressures, with relative errors as low in magnitude as 1.00%. Our validation results demonstrate FLAG's ability to model various stages of impact cratering, with crater radius relative errors as low as 3.48% and crater depth relative errors as low as 0.79%. Our mesh resolution study shows that FLAG converges at resolutions low enough to reduce the required computation time from about 28 h to about 25 min. We anticipate that FLAG can be used to model larger impact cratering problems with increased accuracy and decreased computational cost on current systems relative to other hydrocodes tested by Pierazzo et al. (2008, “Validation of Numerical Codes for Impact and Explosion Cratering: Impacts on Strengthless and Metal Targets,” MAPS, 43(12), pp. 1917–1938).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Validation Metrics for Fixed Effects and Mixed-Effects Calibration

The modern scientific process often involves the development of a predictive computational model. To improve its accuracy, a computational model can be calibrated to a set of experimental data. A variety of validation metrics can be used to quantify this process. Some of these metrics have direct physical interpretations and a history of use, while others, especially those for probabilistic data, are more difficult to interpret. In this work, a variety of validation metrics are used to quantify the accuracy of different calibration methods. Frequentist and Bayesian perspectives are used with both fixed effects and mixed-effects statistical models. Through a quantitative comparison of the resulting distributions, the most accurate calibration method can be selected. Two examples are included which compare the results of various validation metrics for different calibration methods. It is quantitatively shown that, in the presence of significant laboratory biases, a fixed effects calibration is significantly less accurate than a mixed-effects calibration. This is because the mixed-effects statistical model better characterizes the underlying parameter distributions than the fixed effects model. The results suggest that validation metrics can be used to select the most accurate calibration model for a particular empirical model with corresponding experimental data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Experimental Validation of Subsystem Models for a Novel Variable Displacement Hydraulic Motor

A novel, variable displacement, low-speed high-torque hydraulic motor is being developed that is expected to be highly efficient across a broad operating range. To ensure the final hardware achieves the expected performance, the models used in the development of the motor must be experimentally validated and revised, as necessary. The specific focus in this work is on mechanical energy loss models that were used to guide the design of a single-cylinder motor prototype and on experimental tests used for model validation. Ideally each model, whether friction loss in a piston/cylinder interface or energy loss due to leakage in a valve , would be individually validated by an independent test. This granular approach would remove any question of where the error lies and result in highly accurate models. However, many motor components have multiple forms of energy loss, creating difficulty in validating individual losses. Additionally, it is not physically realizable to divide many components into an individual model equivalent test. Testing the motor as a full assembly is possible, but pinpointing the source of discrepancies between the model and the hardware becomes difficult with dozens of models potentially being partially responsible. A compromise was found by separating the motor into functional component groups that are characterized by the type of loss and ability to test each subcomponent independently. By checking for correlation between test observations and model predictions, revisions could be implemented into the models. This allows future solutions to be more accurately predicted in the design phase to drive the design of better machines.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

SYSTEMATIC MULTI-INDEX VALIDATIONS OF SIDI ENGINE FLOW FIELD LES COMPUTATIONS USING CRANK ANGLE-RESOLVED PIV MEASUREMENTS

In-cylinder flow fields make significant impacts on the fuel atomization, fuel mixture formation, and combustion process in spark ignition direct injection (SIDI) engines. In recent years, model-based simulation approaches are preferred in regard to investigating the transient in-cylinder flow field characteristics. Most commonly, the simulation models are validated using single representative flow field at a typical crank angle measured by particle image velocimetry (PIV). However, it provides only limited knowledge about the flow field which is highly three-dimensional and of transient nature. In this study, crank angle-resolved Ply measurements are conducted on three distinct planes inside the cylinder to capture the transient process of flow field characteristics which vary with the crank angle. These three planes consist of one tumble plane through the spark plug tip, one tumble plane along two intake ports, and one swirl plane at 30 mm below the cylinder head. Large eddy simulation (LES) is employed for the numerical computations using the CONVERGE codes. On the basis of large datasets for both temporal and spatial domains, a multi-index systematic validation approach is conducted. Crank angle-resolved calculations of global indices and local indices are implemented using the flow fields velocity data obtained from both PIV and LES on select planes. Global indices reveal the trends in similarities of different crank angle degrees and locations, while local indices give the detail comparison results. In summary, with the systematic multi-index validation approach, the crucial crank angle degrees and locations for model verification will be detected. Furthermore, the corresponding critical flow features are analyzed. Practical guideline of flow field validation is proposed.

Crank angle-resolved PIV↗
DOE OSTI2024

EXPERIMENTAL VALIDATION OF THEORETICAL BURST STRENGTH SOLUTION FOR DEFECT-FREE THICK-WALLED PIPES

The burst pressure of line pipes is an important strength property required in pipeline design and integrity management. Historically, the Barlow formula in conjunction with the ultimate tensile stress (UTS) of pipeline steels were utilized to estimate the burst strength of line pipes. However, the Barlow formula did not consider the plastic flow effect for ductile steels and is applicable only to thin-walled pipes. In 2006, the present author proposed a new multiaxial plastic yield theory and obtained a theoretical Zhu-Leis solution of burst strength for defect-free thin-walled pipes in term of UTS and strain hardening exponent n of pipeline steels. The Zhu-Leis solution has been validated by various burst test data for thin-walled pipelines for a wide range of steel grades from Grade B to X120. Recently, the present author extended the Zhu-Leis theory of plasticity to thick-walled pipes and obtained the Zhu-Leis solution of burst pressure for thick-walled pipes. The proposed burst pressure solution is applicable to both thin and thick-walled pipes. To experimentally validate the proposed theoretical burst pressure solution, this paper obtains a set of burst test data for three thick-walled pipes in Grade B carbon steel with a nominal diameter of 2.375 inches and three nominal wall thicknesses, resulting in D/t = 15.4, 10.9, 6.9. Through comparisons, these burst data validate the theoretical burst pressure solution for thick-walled pipes. Moreover, two additional burst test datasets collected from literature for thin and thick-walled pipes further validate the proposed burst pressure solution for both thin and thick-walled pipes.

Zhu, Xiankui↗
DOE OSTI2015

A GPU based high-resolution multilevel biomechanical head and neck model for validating deformable image registration

Purpose: Validating the usage of deformable image registration (DIR) for daily patient positioning is critical for adaptive radiotherapy (RT) applications pertaining to head and neck (HN) radiotherapy. The authors present a methodology for generating biomechanically realistic ground-truth data for validating DIR algorithms for HN anatomy by (a) developing a high-resolution deformable biomechanical HN model from a planning CT, (b) simulating deformations for a range of interfraction posture changes and physiological regression, and (c) generating subsequent CT images representing the deformed anatomy. Methods: The biomechanical model was developed using HN kVCT datasets and the corresponding structure contours. The voxels inside a given 3D contour boundary were clustered using a graphics processing unit (GPU) based algorithm that accounted for inconsistencies and gaps in the boundary to form a volumetric structure. While the bony anatomy was modeled as rigid body, the muscle and soft tissue structures were modeled as mass–spring-damper models with elastic material properties that corresponded to the underlying contoured anatomies. Within a given muscle structure, the voxels were classified using a uniform grid and a normalized mass was assigned to each voxel based on its Hounsfield number. The soft tissue deformation for a given skeletal actuation was performed using an implicit Euler integration with each iteration split into two substeps: one for the muscle structures and the other for the remaining soft tissues. Posture changes were simulated by articulating the skeletal structure and enabling the soft structures to deform accordingly. Physiological changes representing tumor regression were simulated by reducing the target volume and enabling the surrounding soft structures to deform accordingly. Finally, the authors also discuss a new approach to generate kVCT images representing the deformed anatomy that accounts for gaps and antialiasing artifacts that may be caused by the biomechanical deformation process. Accuracy and stability of the model response were validated using ground-truth simulations representing soft tissue behavior under local and global deformations. Numerical accuracy of the HN deformations was analyzed by applying nonrigid skeletal transformations acquired from interfraction kVCT images to the model’s skeletal structures and comparing the subsequent soft tissue deformations of the model with the clinical anatomy. Results: The GPU based framework enabled the model deformation to be performed at 60 frames/s, facilitating simulations of posture changes and physiological regressions at interactive speeds. The soft tissue response was accurate with a R{sup 2} value of >0.98 when compared to ground-truth global and local force deformation analysis. The deformation of the HN anatomy by the model agreed with the clinically observed deformations with an average correlation coefficient of 0.956. For a clinically relevant range of posture and physiological changes, the model deformations stabilized with an uncertainty of less than 0.01 mm. Conclusions: Documenting dose delivery for HN radiotherapy is essential accounting for posture and physiological changes. The biomechanical model discussed in this paper was able to deform in real-time, allowing interactive simulations and visualization of such changes. The model would allow patient specific validations of the DIR method and has the potential to be a significant aid in adaptive radiotherapy techniques.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-J-145: Validation of An Analytical Model for in Vivo Range Verification Using GATE Monte Carlo Simulation in Proton Therapy

Purpose: Predicted PET images on the basis of analytical filtering approach for proton range verification has been successful developed and validated using FLUKA Monte Carlo (MC) codes and phantom measurements. The purpose of the study is to validate the effectiveness of analytical filtering model for proton range verification on GATE/GEANT4 Monte Carlo simulation codes. Methods: In this study, we performed two experiments for validation of predicted β+-isotope by the analytical model with GATE/GEANT4 simulations. The first experiments to evaluate the accuracy of predicting β+-yields as a function of irradiated proton energies. In second experiment, we simulate homogeneous phantoms of different materials irradiated by a mono-energetic pencil-like proton beam. The results of filtered β+-yields distributions by the analytical model is compared with those of MC simulated β+-yields in proximal and distal fall-off ranges. Results: The results investigate the distribution between filtered β+-yields and MC simulated β+-yields distribution in different conditions. First, we found that the analytical filtering can be applied over the whole range of the therapeutic energies. Second, the range difference between filtered β+-yields and MC simulated β+-yields at the distal fall-off region are within 1.5mm for all materials used. The findings validated the usefulness of analytical filtering model on range verification of proton therapy on GATE Monte Carlo simulations. In addition, there is a larger discrepancy between filtered prediction and MC simulated β+-yields using GATE code, especially in proximal region. This discrepancy might Result from the absence of wellestablished theoretical models for predicting the nuclear interactions. Conclusion: Despite the fact that large discrepancies of the distributions between MC-simulated and predicted β+-yields were observed, the study prove the effectiveness of analytical filtering model for proton range verification using GATE Monte Carlo simulation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Validation of a novel robot-assisted 3DUS system for real-time planning and guidance of breast interstitial HDR brachytherapy

Purpose: In current clinical practice, there is no integrated 3D ultrasound (3DUS) guidance system clinically available for breast brachytherapy. In this study, the authors present a novel robot-assisted 3DUS system for real-time planning and guidance of breast interstitial high dose rate (HDR) brachytherapy treatment. Methods: For this work, a new computer controlled robotic 3DUS system was built to perform a hybrid motion scan, which is a combination of a 6 cm linear translation with a 30° rotation at both ends. The new 3DUS scanner was designed to fit on a modified Kuske assembly, keeping the current template grid configuration but modifying the frame to allow the mounting of the 3DUS system at several positions. A finer grid was also tested. A user interface was developed to perform image reconstruction, semiautomatic segmentation of the surgical bed as well as catheter reconstruction and tracking. A 3D string phantom was used to validate the geometric accuracy of the reconstruction. The volumetric accuracy of the system was validated with phantoms using magnetic resonance imaging (MRI) and computed tomography (CT) images. In order to accurately determine whether 3DUS can effectively replace CT for treatment planning, the authors have compared the 3DUS catheter reconstruction to the one obtained from CT images. In addition, in agarose-based phantoms, an end-to-end procedure was performed by executing six independent complete procedures with both 14 and 16 catheters, and for both standard and finer Kuske grids. Finally, in phantoms, five end-to-end procedures were performed with the final CT planning for the validation of 3DUS preplanning. Results: The 3DUS acquisition time is approximately 10 s. A paired Student t-test showed that there was no statistical significant difference between known and measured values of string separations in each direction. Both MRI and CT volume measurements were not statistically different from 3DUS volume (Student t-test: p > 0.05) and they were significantly correlated to 3DUS measurement (Pearson test: MRI p < 0.05 and CT p < 0.001). The mean angular separation distance between catheter trajectories segmented from 3DUS and CT images was 0.42° ± 0.24°, while the maximum and mean trajectory separations were 0.51 ± 0.19 and 0.37 ± 0.17 mm, respectively. Overall, the new finer grid has performed significantly better in terms of dosimetric indices. The planning target volume dosimetric indices were not found statistically different between 3DUS and CT planning (Student t-test, p > 0.05). Both the skin and the pectoral muscle dosimetric indices were within ABS guidelines. Conclusions: A novel robot-assisted 3DUS system was designed and validated. To their knowledge, this is the first system capable of performing real-time guidance and planning of breast multicatheter HDR brachytherapy treatments. Future investigation will test the feasibility of using the system in the clinic and for permanent breast brachytherapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Validating the simulation of large-scale parallel applications using statistical characteristics

Simulation is a widely adopted method to analyze and predict the performance of large-scale parallel applications. Validating the hardware model is highly important for complex simulations with a large number of parameters. Common practice involves calculating the percent error between the projected and the real execution time of a benchmark program. However, in a high-dimensional parameter space, this coarse-grained approach often suffers from parameter insensitivity, which may not be known a priori. Moreover, the traditional approach cannot be applied to the validation of software models, such as application skeletons used in online simulations. In this work, we present a methodology and a toolset for validating both hardware and software models by quantitatively comparing fine-grained statistical characteristics obtained from execution traces. Although statistical information has been used in tasks like performance optimization, this is the first attempt to apply it to simulation validation. Lastly, our experimental results show that the proposed evaluation approach offers significant improvement in fidelity when compared to evaluation using total execution time, and the proposed metrics serve as reliable criteria that progress toward automating the simulation tuning process.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Development and validation of a next-generation sequencing-based multigene assay to predict the prognosis of estrogen receptor-positive, HER2-negative breast cancer

Purpose: Multigene assays provide useful prognostic information regarding hormone receptor (HR)-positive breast cancer. Next-generation sequencing (NGS)-based platforms have numerous advantages including reproducibility and adaptability in local laboratories. Here we aimed to develop and validate an NGS-based multigene assay to predict the distant recurrence risk. Experimental Design: In total, 179 genes including 30 reference genes highly correlated with the 21-gene recurrence score (RS) algorithm were selected from public databases. Targeted RNA-sequencing was performed using 250 and 93 archived breast cancer samples with a known RS in the training and verification sets, respectively, to develop the algorithm and NGS–Prognostic Score (NGS-PS). The assay was validated in 413 independent samples with long-term follow-up data on distant metastasis. Results: In the verification set, the NGS-PS and 21-gene RS displayed 91.4% concurrence (85/93 samples). In the validation cohort of 413 samples, area under the receiver operating characteristic curve plotted using NGS-PS values classified for distant recurrence was 0.76. The best NGS-PS cut-off value predicting distant metastasis was 20. Furthermore, 269 and 144 patients were classified as low- and high-risk patients in accordance with the cut-off. Five- and 10-year estimates of distant metastasis–free survival (DMFS) for low- versus high-risk groups were 97.0% versus 77.8% and 93.2% versus 64.4%, respectively. The age-related HR for distant recurrence without chemotherapy was 9.73 (95% CI, 3.59–26.40) and 3.19 (95% CI, 1.40–7.29) for patients aged ≤50 and >50 years, respectively. Conclusions: The newly developed and validated NGS-based multigene assay can predict the distant recurrence risk in ER-positive, HER2-negative breast cancer.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Criterion validity of wrist accelerometry for assessing energy intake via the intake-balance technique

Background: Intake-balance assessments measure energy intake (EI) by summing energy expenditure (EE) with concurrent change in energy storage (ΔES). Prior work has not examined the validity of such calculations when EE is estimated via open-source techniques for research-grade accelerometry devices. The purpose of this study was to test the criterion validity of accelerometry-based intake-balance methods for a wrist-worn ActiGraph device. Methods: Healthy adults (n = 24) completed two 14-day measurement periods while wearing an ActiGraph accelerometer on the non-dominant wrist. During each period, criterion values of EI were determined based on ΔES measured by dual X-ray absorptiometry and EE measured by doubly labeled water. A total of 11 prediction methods were tested, 8 derived from the accelerometer and 3 from non-accelerometry methods (e.g., diet recall; included for comparison). Group-level validity was assessed through mean bias, while individual-level validity was assessed through mean absolute error, mean absolute percentage error, and Bland–Altman analysis. Results: Mean bias for the three best accelerometry-based methods ranged from -167 to 124 kcal/day, versus -104 to 134 kcal/day for the non-accelerometry-based methods. The same three accelerometry-based methods had mean absolute error of 323–362 kcal/day and mean absolute percentage error of 18.1-19.3%, versus 353–464 kcal/day and 19.5-24.4% for the non-accelerometry-based methods. All 11 methods demonstrated systematic bias in the Bland–Altman analysis. Conclusions: Accelerometry-based intake-balance methods have promise for advancing EI assessment, but ongoing refinement is necessary. We provide an R package to facilitate implementation and refinement of accelerometry-based methods in future research (see paulhibbing.com/IntakeBalance).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Phenopacket-tools: Building and validating GA4GH Phenopackets

The Global Alliance for Genomics and Health (GA4GH) is a standards-setting organization that is developing a suite of coordinated standards for genomics. The GA4GH Phenopacket Schema is a standard for sharing disease and phenotype information that characterizes an individual person or biosample. The Phenopacket Schema is flexible and can represent clinical data for any kind of human disease including rare disease, complex disease, and cancer. It also allows consortia or databases to apply additional constraints to ensure uniform data collection for specific goals. We present phenopacket-tools, an open-source Java library and command-line application for construction, conversion, and validation of phenopackets. Phenopacket-tools simplifies construction of phenopackets by providing concise builders, programmatic shortcuts, and predefined building blocks (ontology classes) for concepts such as anatomical organs, age of onset, biospecimen type, and clinical modifiers. Phenopacket-tools can be used to validate the syntax and semantics of phenopackets as well as to assess adherence to additional user-defined requirements. The documentation includes examples showing how to use the Java library and the command-line tool to create and validate phenopackets. We demonstrate how to create, convert, and validate phenopackets using the library or the command-line application. Source code, API documentation, comprehensive user guide and a tutorial can be found at https://github.com/phenopackets/phenopacket-tools. The library can be installed from the public Maven Central artifact repository and the application is available as a standalone archive. The phenopacket-tools library helps developers implement and standardize the collection and exchange of phenotypic and other clinical data for use in phenotype-driven genomic diagnostics, translational research, and precision medicine applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

SCEC/USGS Community Stress-Drop Validation Study: How Spectral Fitting Approaches Influence Measured Source Parameters

Spectral source parameters used to estimate an earthquake’s stress drop (⁠Δσ⁠) can vary significantly across measurement approaches. The Statewide California Earthquake Center/U.S. Geological Survey Community Stress‐Drop Validation Study was initiated to compare source parameter estimates, focusing initially on a dataset from the 2019 Ridgecrest earthquake sequence. As part of that validation effort, here we focus on one potential source of uncertainty: whether spectral fitting approaches alone, applied to a common set of spectra from the 2019 Ridgecrest sequence result in different source parameter estimates. By using a common set of benchmark spectra analyzed across a consistent frequency band of 1–40 Hz, we eliminate many sources of variability. A subgroup of validation study participants volunteered to estimate the low‐frequency displacement (⁠Ω 0 ⁠) and corner frequency (⁠ƒ c ⁠) by fitting a smooth function to benchmark displacement spectra. Participants used linear‐ or log‐sampled spectra, assumed a Brune or Boatwright spectral model, and applied different misfit criteria. We compare 17 approaches used to estimate ⁠Ω 0 ⁠, ƒ c ⁠, and Δσ for 54 earthquake spectra. Our results reveal that 35% of events have Δσ estimates within a factor of two, whereas others exhibit variations exceeding an order of magnitude. The variability in and can largely be attributed to whether a spectrum is consistent with the smooth function of an idealized simple crack model. The trade‐off between Ω 0 and ƒ c may be more pronounced when using linearly sampled spectra, as higher frequency spectral bumps control the fits. As expected, methods that assumed a Boatwright model tended to have lower Ω 0 and somewhat higher ƒ c compared to those assuming a Brune model, although resulting Δσ estimates are similar. Finally, when compared to the overall validation study results, the fitting approach alone may account for between 5% and 90% (25% on average) of the total variability in spectral Δσ⁠.

58 GEOSCIENCES↗
DOE OSTI2014

Guide to Using the WIND Toolkit Validation Code

In response to the U.S. Department of Energy's goal of using 20% wind energy by 2030, the Wind Integration National Dataset (WIND) Toolkit was created to provide information on wind speed, wind direction, temperature, surface air pressure, and air density on more than 126,000 locations across the United States from 2007 to 2013. The numerical weather prediction model output, gridded at 2-km and at a 5-minute resolution, was further converted to detail the wind power production time series of existing and potential wind facility sites. For users of the dataset it is important that the information presented in the WIND Toolkit is accurate and that errors are known, as then corrective steps can be taken. Therefore, we provide validation code written in R that will be made public to provide users with tools to validate data of their own locations. Validation is based on statistical analyses of wind speed, using error metrics such as bias, root-mean-square error, centered root-mean-square error, mean absolute error, and percent error. Plots of diurnal cycles, annual cycles, wind roses, histograms of wind speed, and quantile-quantile plots are created to visualize how well observational data compares to model data. Ideally, validation will confirm beneficial locations to utilize wind energy and encourage regional wind integration studies using the WIND Toolkit.

17 WIND ENERGY↗
DOE OSTI2016

Development and Validation of a Polarimetric-MCScene 3D Atmospheric Radiation Model

Polarimetric measurements can substantially enhance the ability of both spectrally resolved and single band imagery to detect the proliferation of weapons of mass destruction, providing data for locating and identifying facilities, materials, and processes of undeclared and proliferant nuclear weapons programs worldwide. Unfortunately, models do not exist that efficiently and accurately predict spectral polarized signatures for the materials of interest embedded in complex 3D environments. Having such a model would enable one to test hypotheses and optimize both the enhancement of scene contrast and the signal processing for spectral signature extraction. The Phase I set the groundwork for development of fully validated polarimetric spectral signature and scene simulation models. This has been accomplished 1. by (a) identifying and downloading state-of-the-art surface and atmospheric polarimetric data sources, (b) implementing tools for generating custom polarimetric data, and (c) identifying and requesting US Government funded field measurement data for use in validation; 2. by formulating an approach for upgrading the radiometric spectral signature model MODTRAN to generate polarimetric intensities through (a) ingestion of the polarimetric data, (b) polarimetric vectorization of existing MODTRAN modules, and (c) integration of a newly developed algorithm for computing polarimetric multiple scattering contributions; 3. by generating an initial polarimetric model that demonstrates calculation of polarimetric solar and lunar single scatter intensities arising from the interaction of incoming irradiances with molecules and aerosols; 4. by developing a design and implementation plan to (a) automate polarimetric scene construction and (b) efficiently sample polarimetric scattering and reflection events, for use in a to be developed polarimetric version of the existing first-principles synthetic scene simulation model, MCScene; and 5. by planning a validation field measurement program in collaboration with the Remote Sensing and Exploitation group at Sandia National Laboratories (SNL) in which data from their ongoing polarimetric field and laboratory measurement program will be shared and, to the extent allowed, tailored for model validation in exchange for model predictions under conditions and for geometries outside of their measurement domain.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2015

Large Eddy Simulation Modeling of Flashback and Flame Stabilization in Hydrogen-Rich Gas Turbines Using a Hierarchical Validation Approach

This project was a combined computational and experimental effort to improve predictive capability for boundary layer flashback of premixed swirl flames relevant to gas-turbine power plants operating with high-hydrogen-content fuels. During the course of this project, significant progress in modeling was made on four major fronts: 1) use of direct numerical simulation of turbulent flames to understand the coupling between the flame and the turbulent boundary layer; 2) improved modeling capability for flame propagation in stratified pre-mixtures; 3) improved portability of computer codes using the OpenFOAM platform to facilitate transfer to industry and other researchers; and 4) application of LES to flashback in swirl combustors, and a detailed assessment of its capabilities and limitations for predictive purposes. A major component of the project was an experimental program that focused on developing a rich experimental database of boundary layer flashback in swirl flames. Both methane and high-hydrogen fuels, including effects of elevated pressure (1 to 5 atm), were explored. For this project, a new model swirl combustor was developed. Kilohertz-rate stereoscopic PIV and chemiluminescence imaging were used to investigate the flame propagation dynamics. In addition to the planar measurements, a technique capable of detecting the instantaneous, time-resolved 3D flame front topography was developed and applied successfully to investigate the flow-flame interaction. The UT measurements and legacy data were used in a hierarchical validation approach where flows with increasingly complex physics were used for validation. First component models were validated with DNS and literature data in simplified configurations, and this was followed by validation with the UT 1-atm flashback cases, and then the UT high-pressure flashback cases. The new models and portable code represent a major improvement over what was available before this project was initiated.

42 ENGINEERING↗
DOE OSTI2016

Integral Reactor Containment Condensation Model and Experimental Validation

This NEUP funded project, NEUP 12-3630, is for experimental, numerical and analytical studies on high-pressure steam condensation phenomena in a steel containment vessel connected to a water cooling tank, carried out at Oregon State University (OrSU) and the University of Wisconsin at Madison (UW-Madison). In the three years of investigation duration, following the original proposal, the planned tasks have been completed: (1) Performed a scaling study for the full pressure test facility applicable to the reference design for the condensation heat transfer process during design basis accidents (DBAs), modified the existing test facility to route the steady-state secondary steam flow into the high pressure containment for controllable condensation tests, and extended the operations at negative gage pressure conditions (OrSU). (2) Conducted a series of DBA and quasi-steady experiments using the full pressure test facility to provide a reliable high pressure condensation database (OrSU). (3) Analyzed experimental data and evaluated condensation model for the experimental conditions, and predicted the prototypic containment performance under accidental conditions (UW-Madison). A film flow model was developed for the scaling analysis, and the results suggest that the 1/3 scaled test facility covers large portion of laminar film flow, leading to a lower average heat transfer coefficient comparing to the prototypic value. Although it is conservative in reactor safety analysis, the significant reduction of heat transfer coefficient (50%) could under estimate the prototypic condensation heat transfer rate, resulting in inaccurate prediction of the decay heat removal capability. Further investigation is thus needed to quantify the scaling distortion for safety analysis code validation. Experimental investigations were performed in the existing MASLWR test facility at OrST with minor modifications. A total of 13 containment condensation tests were conducted for pressure ranging from 4 to 21 bar with three different static inventories of non-condensable gas. Condensation and heat transfer rates were evaluated employing several methods, notably from measured temperature gradients in the HTP as well as measured condensate formation rates. A detailed mass and energy accounting was used to assess the various measurement methods and to support simplifying assumptions required for the analysis. Condensation heat fluxes and heat transfer coefficients are calculated and presented as a function of pressure to satisfy the objectives of this investigation. The major conclusions for those tests are summarized below: (1) In the steam blow-down tests, the initial condensation heat transfer process involves the heating-up of the containment heat transfer plate. An inverse heat conduction model was developed to capture the rapid transient transfer characteristics, and the analysis method is applicable to SMR safety analysis. (2) The average condensation heat transfer coefficients for different pressure conditions and non-condensable gas mass fractions were obtained from the integral test facility, through the measurements of the heat conduction rate across the containment heat transfer plate, and from the water condensation rates measurement based on the total energy balance equation. 15 (3) The test results using the measured HTP wall temperatures are considerably lower than popular condensation models would predict mainly due to the side wall conduction effects in the existing MASLWR integral test facility. The data revealed the detailed heat transfer characteristics of the model containment, important to the SMR safety analysis and the validation of associated evaluation model. However this approach, unlike separate effect tests, cannot isolate the condensation heat transfer coefficient over the containment wall, and therefore is not suitable for the assessment of the condensation heat transfer coefficient against system pressure and noncondensable gas mass fraction. (4) The average condensation heat transfer coefficients measured from the water condensation rates through energy balance analysis are appropriate, however, with considerable uncertainties due to the heat loss and temperature distribution on the containment wall. With the consideration of the side wall conduction effects, the results indicate that the measured heat transfer coefficients in the tests is about 20% lower than the prediction of Dehbi’s correlation, mainly due to the side wall conduction effects. The investigation also indicates an increase in the condensation heat transfer coefficient at high containment pressure conditions, but the uncertainties invoked with this method appear to be substantial. (5) Non-condensable gas in the tests has little effects on the condensation heat transfer at high elevation measurement ports. It does affect the bottom measurements near the water level position. The results suggest that the heavier non-condensable gas is accumulated in the lower portion of the containment due to stratification in the narrow containment space. The overall effects of the non-condensable gas on the heat transfer process should thus be negligible for tall containments of narrow condensation spaces in most SMR designs. Therefore, the previous correlations with noncondensable gas effects are not appropriate to those small SMR containments due to the very poor mixing of steam and non-condensable gas. The MELCOR simulation results agree with the experimental data reasonably well. However, it is observed that the MELCOR overpredicts the heat flux for all analyzed tests. The MELCOR predicts that the heat fluxes for CCT’s approximately range from 30 to 45 kW/m2 whereas the experimental data (averaged) ranges from about 25 to 40 kW/m2. This may be due to the limited availability of liquid film models included in MELCOR. Also, it is believed that due to complex test geometry, measured temperature gradients across the heat transfer plate may have been underestimated and thus the heat flux had been underestimated. The MELCOR model predicts a film thickness on the order of 100 microns, which agrees very well with film flow model developed in this study for scaling analysis. However, the expected differences in film thicknesses for near vacuum and near atmospheric test conditions are not significant. Further study on the behavior of condensate film is expected to refine the simulation results. Possible refinements include but are not limited to, the followings: CFD simulation focusing on the liquid film behavior and benchmarking with experimental analyses for simpler geometries. 16 1 INTRODUCTION This NEUP funded project, NEUP 12-3630, is for experimental, numerical and analytical studies on high-pressure steam condensation phenomena in a steel containment vessel connected to a water cooling tank, carried out at Oregon State University (OrSU) and the University of Wisconsin at Madison (UW-Madison). The experimental results are employed to validate the containment condensation model in reactor containment system safety analysis code for integral SMRs. Such a containment condensation model is important to demonstrate the adequate cooling. In the three years of investigation, following the original proposal, the following planned tasks have been completed: (1) Performed a scaling study for the full pressure test facility applicable to the reference design for the condensation heat transfer process during design basis accidents (DBAs), modified the existing test facility to route the steady-state secondary steam flow into the high pressure containment for controllable condensation tests, and extended the operations at negative gage pressure conditions (OrSU). (2) Conducted a series of DBA and quasi-steady experiments using the full pressure test facility to provide a reliable high pressure condensation database (OrSU). (3) Analyzed experimental data and evaluated condensation model for the experimental conditions, and predicted the prototypic containment performance under accidental conditions (UW-Madison). The results are applicable to integral Small Modular Reactor (SMR) designs, including NuScale, mPower, Westinghouse SMR, Holtec-160 and other integral reactors with small containments of relatively high pressures under accidental conditions. Testing has been conducted at the OrSU laboratory in the existing MASLWR (Multi-Application Small Light Water Reactor) integral test facility sponsored by the US Department of Energy. Its highpressure stainless steel containment model (~2 MPa) is scaled to the NuScale SMR currently under development at NuScale Power, Inc.. Minor modifications to the model containment have been made to control the non-condensable gas fraction and to utilize the secondary loop stable steam flow for condensation testing. UW-Madison has developed a containment condensation model, which leveraged previous validated containment heat transfer work carried out at UW-Madison, and extended the range of applicability of the model to integral SMR designs that utilize containment vessels of high heat transfer efficiencies. In this final report, the research background and literature survey are presented in Chapter 2 and 3, respectively. The test facility description and modifications are summarized in Chapter 4, and the scaling analysis is introduced in Chapter 5. The tests description, procedures, and data analysis are presented in Chapter 6, while the numerical modeling is presented in Chapter 7, followed by a conclusion section in Chapter 8.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗