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At least 181 records · Page 10

The HTR-Proteus Benchmark: Analysis and Use as a Verification and Validation Case

This presentation outlines the evaluation and application of the HTR-Proteus benchmark as a verification and validation (V&V) case for advanced reactor modeling tools. The work supports the U.S. Department of Energy’s HALEU Availability Program (HAP) and the joint DOE/NRC DNCSH project, which aims to reduce criticality safety uncertainties in commercial-scale HALEU fuel cycle and transportation systems. The HTR-Proteus experiments, conducted at the Paul Scherrer Institute, provide high-fidelity data for TRISO-fueled, graphite-moderated pebble bed reactors with high neutron leakage—conditions relevant to HALEU transport scenarios. This study focuses on Cores 4.2 and 4.3 of the HTR-Proteus benchmark, analyzing key sources of uncertainty including pebble packing, TRISO particle positioning, and core height. Using Project Chrono for realistic pebble geometries and Serpent, SHIFT, and MCNP for neutronics simulations, the study quantifies the impact of these uncertainties on the effective multiplication factor (keff). Results show that a sample size of 110 pebble configurations is sufficient to converge keff, with ±30 pcm uncertainty due to packing randomness. TRISO positioning and core height variations also significantly influence keff, highlighting the importance of detailed modeling in V&V efforts. The benchmark serves as a valuable test case for validating the Griffin reactor physics code and improving confidence in HALEU system simulations.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sensitivity Analysis of the Integrated Medical Model for ISS Programs

Sensitivity analysis estimates the relative contribution of the uncertainty in input values to the uncertainty of model outputs. Partial Rank Correlation Coefficient (PRCC) and Standardized Rank Regression Coefficient (SRRC) are methods of conducting sensitivity analysis on nonlinear simulation models like the Integrated Medical Model (IMM). The PRCC method estimates the sensitivity using partial correlation of the ranks of the generated input values to each generated output value. The partial part is so named because adjustments are made for the linear effects of all the other input values in the calculation of correlation between a particular input and each output. In SRRC, standardized regression-based coefficients measure the sensitivity of each input, adjusted for all the other inputs, on each output. Because the relative ranking of each of the inputs and outputs is used, as opposed to the values themselves, both methods accommodate the nonlinear relationship of the underlying model. As part of the IMM v4.0 validation study, simulations are available that predict 33 person-missions on ISS and 111 person-missions on STS. These simulated data predictions feed the sensitivity analysis procedures. The inputs to the sensitivity procedures include the number occurrences of each of the one hundred IMM medical conditions generated over the simulations and the associated IMM outputs: total quality time lost (QTL), number of evacuations (EVAC), and number of loss of crew lives (LOCL). The IMM team will report the results of using PRCC and SRRC on IMM v4.0 predictions of the ISS and STS missions created as part of the external validation study. Tornado plots will assist in the visualization of the condition-related input sensitivities to each of the main outcomes. The outcomes of this sensitivity analysis will drive review focus by identifying conditions where changes in uncertainty could drive changes in overall model output uncertainty. These efforts are an integral part of the overall verification, validation, and credibility review of IMM v4.0.

medical equipment↗

Nuclear Data Impact Assessment for the HTR-10 Pebble-Bed Reactor Using SCALE

The HTR-10 was used as a representative pebble-bed high-temperature gas-cooled reactor in this assessment of nuclear data’s impact on important reactor and spent fuel metrics, including safety-related quantities such as the effective multiplication factor (k eff ), temperature reactivity feedback, spent fuel inventory, and decay heat. Using the SCALE code system tools and ENDF/B-VII.1 nuclear data libraries, we quantify the effect of nuclear data uncertainties on these key performance metrics for both fresh fuel and equilibrium core configurations. For reactor core key parameters, important contributors to uncertainty include reactions of 235 U [$\bar{v}$, fission, (n, γ)], 238 U [elastic, (n, γ)], and graphite [elastic, (n, γ)]. Additional important contributors for the equilibrium core include reactions of higher actinides ( 239 Pu, 240 Pu) and fission products ( 135 Xe, 149 Sm). For spent fuel analysis, most nuclide inventory uncertainties remain below 5%. Higher uncertainties up to 11% are being observed for minor actinides like 243 Am and 244 Cm. Additionally, fission product uncertainties in 155 Eu and 155 Gd, of 25% and 23% respectively, are also significant and have implications for burnup credit applications. 110m Ag also shows high uncertainty of up to 11%, mainly due to fission product yield uncertainties. Decay heat relative uncertainties remain below 0.6% up to 10 years’ cooling time after fuel discharge. The highest relative uncertainty of 1.5% occurs at 500 years of cooling; however, because the decay heat value is very low at that time, the absolute uncertainty is not significant. This work demonstrates that extending assessments beyond fresh fuel k eff to include irradiated cores, nuclide inventories, and decay heat is essential in understanding the behavior of uncertainties as a function of fuel burnup and can support improvements of safety margins and spent fuel management.

Nuclear data impact↗

Effects of surface runoff and infiltration partition methods on hydrological modeling: A comparison of four schemes in two watersheds in the Northeastern US

The ratio according to which the precipitation/snowmelt is divided into surface and subsurface water is of primary importance to watershed scale hydrological modeling. The present study compared four different surface runoff and infiltration partition methods in the Richards-equation-based SWAT model (RSWAT), i.e., daily curve number method (DC-RSWAT), hourly curve number method (HC-RSWAT), Green-Ampt method (GA-RSWAT), and effective infiltration capacity method (EIC-RSWAT). These four versions of RSWAT and a daily-curve-number-based SWAT (DC-SWAT) were used to simulate daily flow rate (from 2001 to 2015) at the outlets of the Tuckahoe Creek Watershed (TCW) and Greensboro Watershed (GW) of the Chesapeake Bay in Maryland. Parameter sensitivity analysis, calibration, and prediction uncertainty analysis were conducted. The results indicate that surface runoff and infiltration partition methods have pronounced impacts on model performance. Comparative analysis showed that DC-RSWAT outperformed other versions of RSWAT for both calibration (from 2001 to2007) and validation (from 2008 to 2015) periods in the two test watersheds. In general, DC-RSWAT achieved more accurate deterministic flow simulation and reliable uncertainty estimation than other versions. As such, daily-curve-number method is recommended for surface runoff and infiltration partition in RSWAT for simulating stream flow.

hydrology, modeling, streamflow↗

Impact of recent ENDF nuclear data update, high initial enrichment and high burnup fuel on critical experiments applicability determination via the integral index c k for burnup credit validation

In 2012, NUREG/CR-7109 reported on the validation of burnup credit calculations involving major and minor actinides and major fission products which was investigated for pressurized and boiling water reactor (PWR and BWR) fuel enrichments up to 5 wt% 235 U and assembly-average burnups up to 60 GWd/MTU. Recently, there has been interest in increasing the maximum enrichment used in PWR fuel as high as 8 wt% 235 U and correspondingly increasing the maximum assembly-average burnups to approximately 75 GWd/MTU. These proposed increases in enrichment and burnup necessitate reinvestigation of the validation basis for k eff calculations for this expanded application space. Additionally, the 2012 study was performed by using the Evaluated Nuclear Data File (ENDF)/B-VII.0 nuclear data with the SCALE 6 covariance library, and the effects of using the newly released ENDF/B-VII.1 and ENDF/B-VIII.0 nuclear data and covariance libraries should be evaluated. In this work, published in NUREG/CR-7309 in 2025, the validation assessment was performed consistently with NUREG/CR-7109: modeling irradiated fuel assemblies in the Generic Burnup Credit (GBC)-32 cask defined in NUREG/CR-6747. The TSUNAMI-3D sequence was used to generate sensitivity data for the application model, and the data were compared with sensitivity data from select benchmark models. The integral parameter c k is the metric of similarity used in this study and is consistent with NUREG/CR-7109, where a c k value in excess of 0.8 indicates sufficient similarity for use in validation. A new set of benchmark experiments with sensitivity data has been assembled for this effort. The number of experiments with available sensitivity data is now 2,104, compared to 474 in NUREG/CR-7109. This increase was facilitated by the efforts of the Nuclear Energy Agency to generate sensitivity data for a majority of the experiments in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook to supplement the data available in the Oak Ridge National Laboratory (ORNL) Verified, Archived Library of Inputs and Data (VALID). The complete set of benchmarks considered here includes experiments for low-enriched uranium (LEU), intermediate enriched uranium (IEU), and a mixture of uranium and plutonium (MIX) from the ICSBEP Handbook and VALID, as well as ORNL models of the Haut Taux de Combustion (HTC) experiments and other potentially relevant models not included in VALID. The updated similarity study shows that none of the extended burnup and higher enrichment combinations considered show a significant decrease in the number of potentially applicable experiments, meaning sufficient critical experiments exist for the validation of BUC criticality safety calculations, with initial enrichments up to 8 wt% 235 U and burnups up to 80 GWd/MTU. Additionally, both the ENDF/B-VII.1 and ENDF/B-VIII.0 nuclear data libraries can be used for validation since the number of critical experiments applicable for validation increases for most cases with the most recent nuclear data compared to the previous one. As in previous BUC validation studies, the French HTC experiments are the most similar in a majority of the application cases studied, especially from representative discharge burnups ranging from 40 to 80 GWd/MTU. In conclusion, these results match the conclusions presented in NUREG/CR-7109 regarding validation of the primary actinides in BUC analyses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Calibration of reactive burn and Jones-Wilkins-Lee parameters for simulations of a detonation-driven flow experiment with uncertainty quantification

Here, uncertainties in the explosive-specific parameters of the Jones-Wilkins-Lee (JWL) equation of state (EOS) are carefully considered in hydrodynamic simulations of an explosive experiment to minimize the error in the flow prediction. Experimental data of the leading shock position in the transverse direction over time serves as the prediction metric for quantifying simulation prediction error. The uncertainty quantification technique, global sensitivity analysis, is utilized to determine the JWL parameters to which the transverse shock propagation is most sensitive. A polynomial response surface (PRS) is constructed in the space of the most influential JWL parameters, and the point of minimum error between the experimental data and the PRS yields calibrated JWL parameters for the experimental flow. The simulation results following the parameter calibration show good agreement with the experimental data. It was found that two significant parameters, the heat release per unit mass of reactant Q and JWL model exponent R 1 are strongly related, which makes it difficult to identify accurate values.

36 MATERIALS SCIENCE↗

(U) Radiation Transport Sensitivity Capabilities Applicable to INRAD

Intrinsic radiation (INRAD) calculations involve calculating the neutron and gamma-ray source rate densities from given compositions and densities of materials and the subsequent transport of the neutrons and gamma rays to detectors that may be stood off or internal. Related problems deal with measures of subcritical multiplication, such as the k eff eigenvalue. Realistic estimates of the uncertainties in calculated INRAD results are desired. One approach to uncertainty quantification begins with sensitivity analysis. This report describes the present capabilities that XCP-7 can apply to compute sensitivities in INRAD problems and areas where work is needed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Towards verifiable cancer digital twins: tissue level modeling protocol for precision medicine

Cancer exhibits substantial heterogeneity, manifesting as distinct morphological and molecular variations across tumors, which frequently undermines the efficacy of conventional oncological treatments. Developments in multiomics and sequencing technologies have paved the way for unraveling this heterogeneity. Nevertheless, the complexity of the data gathered from these methods cannot be fully interpreted through multimodal data analysis alone. Mathematical modeling plays a crucial role in delineating the underlying mechanisms to explain sources of heterogeneity using patient-specific data. Intra-tumoral diversity necessitates the development of precision oncology therapies utilizing multiphysics, multiscale mathematical models for cancer. This review discusses recent advancements in computational methodologies for precision oncology, highlighting the potential of cancer digital twins to enhance patient-specific decision-making in clinical settings. We review computational efforts in building patient-informed cellular and tissue-level models for cancer and propose a computational framework that utilizes agent-based modeling as an effective conduit to integrate cancer systems models that encode signaling at the cellular scale with digital twin models that predict tissue-level response in a tumor microenvironment customized to patient information. Furthermore, we discuss machine learning approaches to building surrogates for these complex mathematical models. These surrogates can potentially be used to conduct sensitivity analysis, verification, validation, and uncertainty quantification, which is especially important for tumor studies due to their dynamic nature.

60 APPLIED LIFE SCIENCES↗

A New Reflected Target Optical Assessment System: Stage 1 Development Results

NREL has completed stage 1 development of an indoor optical measurement tool for fully assembled heliostats and single facets. This tool began as an indoor version of NREL’s outdoor Non-Intrusive Optical (NIO) measurement technique [1]. It uses similar techniques to other available tools (deflectometry, photogrammetry, etc.), but is designed to require very little infrastructure, labor, and time to set up and collect surface slope and canting measurements, making it a valuable tool for quality assurance and laboratory measurement of heliostat optics. It accomplishes this by using computer vision, photogrammetry, and multiple images stitched together to minimize the printed target size and required setup precision. This adaptable setup is useful for taking measurements at a variety of heliostat pointing angles, and for measuring fully assembled heliostats on the assembly line. In this paper, we describe the methodology behind the measurement system, present an initial analysis of its uncertainty and sensitivity, and compare it with established optical measurement systems.

Kesseli, Devon (ORCID:0000000193113036)↗

Implementing a Nitrogen-Based Model for Autotrophic Respiration Using Satellite and Field Observations

The rate of carbon accumulation by terrestrial plant communities in a process-level, mechanistic modeling is the difference of the rate of gross photosynthesis by a canopy (A(sub g)) and autotrophic respiration (R) of the stand. Observations for different biomes often show that R to be a large and variable fraction of A(sub g), ca. 35% to 75%, although other studies suggest the ratio of R and A(sub g) to be less variable. Here, R has been calculated according to the two compartment model as being the sum of maintenance and growth components. The maintenance respiration of foliage and living fine roots for different biomes has been determined objectively from observed nitrogen content of these organs. The sapwood maintenance respiration is based on pipe theory, and checked against an independently derived equation considering sapwood biomass and its maintenance coefficient. The growth respiration has been calculated from the difference of A(sub g) and maintenance respiration. The A(sub g) is obtained as the product of biome-specific radiation use efficiency for gross photosynthesis under unstressed conditions and intercepted photosynthetically active radiation, and adjusted for stress. Calculations have been done using satellite and ground observations for 36 consecutive months (1987-1989) over large contiguous areas (ca. 10(exp 5) sq km) of boreal forests, crop land, temperate deciduous forest, temperate grassland, tropical deciduous forest, tropical evergreen forest, tropical savanna, and tundra. The ratio of annual respiration and gross photosynthesis, (R/A(sub g)), is found to be 0.5-0.6 for temperate and cold adopted biome areas, but somewhat higher for tropical biome areas (0.6-0.7). Interannual variation of the fluxes is found to be generally less than 15%. Calculated fluxes are compared with observations and several previous estimates. Results of sensitivity analysis are presented for uncertainties in parameterization and input data. It is found that uncertainty in determining maintenance respiration for tropical biomes is such that R/A(sub g) for these biomes could be similar to that for temperate biomes.

Choudhury, Bhaskar J.↗

Dragonfly Entry and Descent Flight Mechanics Modeling and Analysis for Mission PDR

Dragonfly is a New Frontiers Program mission led by Johns Hopkins Applied Physics Laboratory (APL) which will deliver a rotorcraft lander to Saturn’s moon, Titan [1]. Relative to previous studies presented, Dragonfly recently passed its mission Preliminary Design Review (PDR) [2]. This study presents the updated design and analysis performed for the Dragonfly mission PDR. The entry vehicle analysis includes the phases of entry and descent prior to cruise stage separation until lander separation. These results discuss the robustness of the overall entry sequence as assessed through a Monte Carlo uncertainty analysis as well as sensitivity analysis.

Modeling↗

Addressing Uncertainty in MultiSector Dynamics Research

MultiSector Dynamics (MSD) research explores the dynamics and co-evolutionary pathways of human and Earth systems and the emerging interdependent sectors of energy, water, agriculture, and transportation among others. The interactions between these sectors are central to MSD science, as they capture how processes and feedbacks across Earth, environmental, infrastructure, and societal systems shape transitions, socioeconomic risks, and the provision of services. By definition, MSD research requires deep integration across diverse scientific disciplines, ranging from the natural to the social sciences and engineering. All these disciplines apply a variety of numerical simulation models to study and understand their underlying systems of focus. The utility of these models hinges on the fidelity with which they represent the real systems and their ability to produce novel insights about systems and their interactions. The coupled human-natural systems typically represented are shaped by a multitude of interdependent human and natural processes which, when modeled, translate to highly complex, non-linear, interacting behaviors. This ever-increasing complexity massively expands the uncertainty space of a model and can be found in model inputs, processes and parameters. This is further amplified when several models are combined to answer multisectoral questions, as additional uncertainty regarding coupling relationships and interactions is introduced.

IM3, Uncertainty and Sensitivity Analysis, multise↗

Stastically determined experimental uncertainties in photon Doppler velocimetry (PDV) measurements

Shock-ramp experiments place high demands on the precision, accuracy, and temporal resolution of transformed velocimetry signals. To minimize uncertainty after total propagation of a shockramp experiment, ideally multiple PDV traces are used. However, each trace has some uncertainty that is a function of the PDV system and analysis of the velocimetry data. In order to determine a reasonable experimental estimate of minimum uncertainty, we calculate observed uncertainties in as-fielded PDV systems using multiple channels to sample the velocity on each shot. We also calculate the uncertainty’s sensitivity to choice of analysis methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Sensitivity Analysis of Genome-Scale Metabolic Flux Prediction

TRIMER, Transcription Regulation Integrated with MEtabolic Regulation, is a genome-scale modeling pipeline targeting at metabolic engineering applications. Using TRIMER, regulated metabolic reactions can be effectively predicted by integrative modeling of metabolic reactions with a Transcription Factor (TF)-gene regulatory network (TRN), which is modeled via a Bayesian network (BN). In this paper, we focus on sensitivity analysis of metabolic flux prediction for uncertainty quantification of BN structures for TRN modeling in TRIMER. We propose a computational strategy to construct the uncertainty class of TRN models based on the inferred regulatory order uncertainty given transcriptomic expression data. With that, we analyze the prediction sensitivity of the TRIMER pipeline for the metabolite yields of interest. The obtained sensitivity analyses can guide Optimal Experimental Design (OED) to help acquire new data that can enhance TRN modeling and achieve specific metabolic engineering objectives, including metabolite yield alterations. Here we have performed small- and large-scale simulated experiments, demonstrating the effectiveness of our developed sensitivity analysis strategy for BN structure learning to quantify the edge importance in terms of metabolic flux prediction uncertainty reduction and its potential to effectively guide OED.

59 BASIC BIOLOGICAL SCIENCES↗

Uncertainty analysis of correlated parameters in automated reaction mechanism generation

Abstract Uncertainty analysis is a useful tool for inspecting and improving detailed kinetic mechanisms because it can identify the greatest sources of model output error. Owing to the very nonlinear relationship between kinetic and thermodynamic parameters and computed concentrations, model predictions can be extremely sensitive to uncertainties in some parameters while uncertainties in other parameters can be irrelevant. Error propagation becomes even more convoluted in automatically generated kinetic models, where input uncertainties are correlated through kinetic rate rules and thermodynamic group values. Local and global uncertainty analyses were implemented and used to analyze error propagation in Reaction Mechanism Generator (RMG), an open‐source software for generating kinetic models. A framework for automatically assigning parameter uncertainties to estimated thermodynamics and kinetics was created, enabling tracking of correlated uncertainties. Local first‐order uncertainty propagation was implemented using sensitivities computed natively within RMG. Global uncertainty analysis was implemented using adaptive Smolyak pseudospectral approximations as implemented in the MIT Uncertainty Quantification Library to efficiently compute and construct polynomial chaos expansions to approximate the dependence of outputs on a subset of uncertain inputs. Cantera was used as a backend for simulating the reactor system in the global analysis. Analyses were performed for a phenyldodecane pyrolysis model. Local and global methods demonstrated similar trends; however, many uncertainties were significantly overestimated by the local analysis. Both local and global analyses show that correlated uncertainties based on kinetic rate rules and thermochemical groups drastically reduce a model's degrees of freedom and have a large impact on the determination of the most influential input parameters. These results highlight the necessity of incorporating uncertainty analysis in the mechanism generation workflow.

Gao, Connie W.↗