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At least 415 records · Page 23

Monte-Carlo analysis of rarefied-gas diffusion including variance reduction using the theory of Markov random walks

Molecular diffusion through a rarefied gas is analyzed by using the theory of Markov random walks. The Markov walk is simulated on the computer by using random numbers to find the new states from the appropriate transition probabilities. As the sample molecule during its random walk passes a scoring position, which is a location at which the macroscopic diffusing flow variables such as molecular flux and molecular density are desired, an appropriate payoff is scored. The payoff is a function of the sample molecule velocity. For example, in obtaining the molecular flux across a scoring position, the random walk payoff is the net number of times the scoring position has been crossed in the positive direction. Similarly, when the molecular density is required, the payoff is the sum of the inverse velocity of the sample molecule passing the scoring position. The macroscopic diffusing flow variables are then found from the expected payoff of the random walks.

Perlmutter, M.↗

Sensitivity Analysis for the Component Design App: Analysis of Success Assured Data

A new tool has been developed to perform variance-based global sensitivity analysis (VBGSA) on data from a set-based concurrent engineering software called Success Assured (SA). The tool is part of a digital component design app, which is currently in production as an Accelerated Digital Engineering Pathfinder at Sandia National Laboratories. When working with complex digital models, it is important to understand relationships between inputs and outputs, i.e., how “sensitive” model outputs are to changes in model inputs. After extensive research and trials of various sensitivity analysis methods, it was determined that estimation of Sobol’ indices for VBGSA with Monte Carlo simulation, paired with simple surrogate models, produces the best results for SA data. This tool increases understanding of SA models and streamlines the creation of SA datasets. This report details the methodology and implementation of this sensitivity analysis tool so others can understand it and implement it.

97 MATHEMATICS AND COMPUTING↗

Prospective memory in dynamic environments: effects of load, delay, and phonological rehearsal

A new paradigm was developed to examine prospective memory performance in a visual-spatial task that resembles some aspects of the work of air traffic controllers. Two experiments examined the role of workload (number of aeroplanes that participants directed), delay (between receipt of prospective instructions and execution), and phonological rehearsal. High workload increased prospective memory errors but increasing delay from 1-3 or 5 minutes had no effect. Shadowing aurally presented text reduced prospective memory performance, presumably because it prevented verbal rehearsal of the prospective instructions. However, performance on the foreground task of directing aeroplanes to routine destinations was affected only by workload and not by opportunity for rehearsal. Our results suggest that ability to maintain performance on a routine foreground task while performing a secondary task--perhaps analogous to conversation--does not predict ability to retrieve a prospective intention to deviate from the routine.

Aerospace Medicine↗

Visual HPC Workflows for the Analysis of System Dynamics Models

Visual analytics supported by high performance computing (HPC) accelerates and enhances the discovery, exploration, and analysis of causal patterns in complex system dynamics (SD) models. We present a suite of visualization-assisted ensemble-based techniques for hypothesis generation and testing, and for sensitivity analysis. By employing HPC to provide parallel, on-demand simulation of SD models, one can “steer” an ensemble of simulated scenarios in real time as one first formulates and then informally tests those hypotheses: this provides rapid feedback for analysts to refine their understanding of the causal relationships emergent from a model. Such understandings can be followed and augmented by rigorous application of statistical methods, namely global variance-based sensitivity analysis, Monte-Carlo filtering, adaptive regional sensitivity analysis, and self-organized maps: here timely computation relies on HPC, while effective presentation emphasizes high-dimensional multivariate data visualization. Immersive visualization in virtual 3D environments provides an excellent adjunct to the traditional 2D graphics typically used for SD models, as it generates an embodied understanding of model behavior and facilitates an active, collaborative critique of model structure and output. Finally, we summarize prospects for HPC-enabled visual analytics applied to SD modeling.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Measurement Error Variance Estimation in Gamma-Spectroscopy Data using FRAM

The FRAM gamma-ray isotopic analysis code has recently been applied to four Pu data sets and four U data sets, each with relatively well-characterized standard items, in order to estimate the variances of random errors and of item-specific systematic errors. Assay results are available for Pu238, Pu239, Pu240, Pu241, Pu242 (operator entered, not independently measured), Am241, Specific Power, and Pu240eff. For the four U data sets, results are available for the measurands U234, U235, U236 (operator entered, not independently measured), and U238. For example, in Pu data set 1, there are 33 standard reference Pu items, which have well-known nominal/true values (except for a few items). FRAM was used to make approximately 15 repeat measurements for each of the 33 items, so empirical standard deviations can be calculated. In addition, FRAM internally estimates its random error variance using propagation of variance. This paper applies analysis of variance (ANOVA) to separately estimate the repeatability standard deviation and the standard deviation of the item-specific biases δ s in each of the 8 data sets.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Failure Bounding And Sensitivity Analysis Applied To Monte Carlo Entry, Descent, And Landing Simulations

In the study of entry, descent, and landing, Monte Carlo sampling methods are often employed to study the uncertainty in the designed trajectory. The large number of uncertain inputs and outputs, coupled with complicated non-linear models, can make interpretation of the results difficult. Three methods that provide statistical insights are applied to an entry, descent, and landing simulation. The advantages and disadvantages of each method are discussed in terms of the insights gained versus the computational cost. The first method investigated was failure domain bounding which aims to reduce the computational cost of assessing the failure probability. Next a variance-based sensitivity analysis was studied for the ability to identify which input variable uncertainty has the greatest impact on the uncertainty of an output. Finally, probabilistic sensitivity analysis is used to calculate certain sensitivities at a reduced computational cost. These methods produce valuable information that identifies critical mission parameters and needs for new technology, but generally at a significant computational cost.

Gaebler, John A.↗

Validation of SAS4A/SASSYS-1 for Steady-State Single-Phase Natural Circulation

The development of numerical software for engineering applications requires the validation of the code against experimental benchmark datasets. To support the validation of SAS4A/SASSYS-1 in simulating the single-phase natural circulation within nuclear reactor systems, high-precision steady-state experiments are performed to capture single-phase natural circulation phenomena on an existing scaled facility with comprehensive instrumentation. Forced convection tests are designed precisely capturing the facility’s critical thermal-hydraulic parameters required for one-dimensional modeling, and a comprehensive single-phase natural circulation dataset is obtained with well-documented experimental uncertainty and facility description. Analysis and discussion based on the finalized dataset confirm the dataset’s ability in capturing dominant phenomena and address important physical interpretation of parameters. The dataset reported in this project provides a valuable benchmark resource for the validation of system analysis codes under single-phase natural circulation inside nuclear reactors. Validation of SAS4A/SASSYS-1 is then performed against the obtained benchmark dataset to confirm the capability of its physics model in simulating the steady-state single-phase natural circulation. The experimental facility is modeled in the candidate code. Solution verification is performed using Richardson-extrapolation-based estimators to quantify and restrict numerical errors from discretization. Numerical uncertainty originating from finite maximum pseudo-transient time is also quantified and restricted. Input uncertainty provided by the benchmark dataset is forward propagated through the candidate code, directly quantifying the simulation output in a Monte Carlo approach. The composition of the output uncertainty is further determined by the estimators of Sobol’ indices through a variance-based sensitivity analysis. With uncertainty quantified for each individual condition, detailed comparison between the simulation results and experimental data is performed covering the whole dataset, which shows consistent agreement for all important quantities. The validation activity reported in this project demonstrates that SAS4A/SASSYS-1 can predict the primary parameters with satisfactorily accuracy under steady-state single-phase natural circulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Validation of SAS4A/SASSYS-1 for predicting steady-state single-phase natural circulation

The validation of system analysis codes for nuclear reactor systems is required for the development and application of these computational tools. Designed as a comprehensive system analysis code for advanced nuclear reactors, SAS4A/SASSYS-1 requires validation of its physics model for capturing single-phase natural circulation behavior. To support the validation of SAS4A/SASSYS-1, high-precision experiments are performed capturing steady-state single-phase natural circulation on a scaled facility with comprehensive instrumentation. In this work, dedicated tests are performed quantifying the critical modeling parameters, and a single-phase natural circulation benchmark dataset is obtained with well-documented uncertainty and comprehensive facility description. The validation is then performed against the dataset examining the capability of SAS4A/SASSYS-1 in simulating steady-state single-phase natural circulation. The experimental facility is modeled in the candidate code. Solution verification is performed using Richardson-extrapolation-based estimators which quantify and restrict numerical errors from discretization. Input uncertainty provided by the benchmark dataset is forward propagated through the candidate code, quantifying the output uncertainty in a Monte Carlo approach. The composition of the output uncertainty is also quantified through a variance-based sensitivity analysis. With the uncertainty quantified for each individual condition, a detailed comparison between the simulation results and experimental data is performed covering the whole dataset. The results show consistent agreement for all primary parameters. The current validation activity provides a valuable benchmark dataset for the validation of system analysis codes in capturing single-phase natural circulation and demonstrates satisfactory prediction capability of SAS4A/SASSYS1 for steady-state single-phase natural circulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Cs-137 Body-burdens in Wild Pigs on the Department of Energy's Savannah River Site: Determination of an Appropriate Framework for Spatiotemporal Analysis of Hunter Dose Tracking System Data

The Savannah River Site (SRS) is a U.S. Department of Energy facility with an area of 310 square miles. Since its opening in 1951, SRS has produced and processed nuclear materials for national defense and industrial purposes. These activities have resulted in the release of radiocesium (Cs-137) which has led to contamination of associated streams, floodplains, man-made reservoirs, soil and vegetation. Contamination is spread to wild pigs as they move about SRS, consume vegetation, drink water and wallow in soil. SRS provides annual deer hunts open to the public in which wild pigs may be taken as well. The Cs-137 concentration of each animal is determined before it is released to the hunter for consumption and a cumulative dose is retained for each individual hunter. These tasks are accomplished using the Hunter Dose Tracking System (HDTS). The data collected on SRS by the HDTS for White-Tailed deer has been extensively analyzed. A repeatable method for calculating the background radiocesium body burden for the SRS deer population was established by Gaines and Novak (2009,2016). This model was framed using Cs-137 contamination obtained via gamma over-flight data, the decay rate of radiocesium and the historical behavior observed in the SRS deer population. These parameters were used in a spatiotemporal analysis to estimate background Cs-137 body burdens (from global fallout, etc.), as well as the effect SRS activities may have. The purpose of this project is to modify the framework to represent the behavior of the wild pig population on SRS such that HDTS data collected may be analyzed similarly. The 2018 data were collected via the HDTS in the field to screen wild pigs dispatched by Forest Service - Savannah River. These data will provide insight for an analysis of seasonal variance in the body burdens of the SRS wild pig population. The HDTS quickly provided Cs-137 concentrations in the field, as well as automatically updated the electronic database. Space: Historically, the average home range of wild pigs on the Savannah River Site has been reported at approximately six square miles. This range was confirmed accurate as of July 2018, with the observed minimum and maximum at one and ten square miles respectively. This range was geoprocessed using ArcMap to project buffers based on 1991 gamma over-flight data. The buffers were constructed to originate at all Cs-137 contamination point coordinates and protrude outward in all directions for 1.5, 2.45 and 6 square miles. While the 2.45 mile buffer is theoretically representative of potential hog exposure based on the average home range, it does not consider the possibility of home ranges not uniform in shape. Therefore, the 1.5 and 6 mile buffers were also constructed as visual aids for determining the appropriate hunt compartments for background level considerations. The SRS is divided into numbered hunt compartments of varying size and shape. These compartment numbers are used during sponsored hunts to record the location in which a wild pig was dispatched. Time: The Gaines report determined deer analysis should be carried out at the half-decade level for the best representation of true body burdens. This is due to the impact natural factors, such as drought or flood, can have on the bioaccumulation of Cs-137. To determine the appropriate time scale for hog analysis, all available data was totaled and averaged at 1, 2, 3 and 7 year increments. The annual averages and running average are provided. The appropriate compartments for the determination of the SRS hog population background level should be: 2, 3, 4, 9, 10, 14 and 15. Hogs dispatched within other compartments are most likely exposed to Cs-137 contamination and should not be included in the background level. The current dataset is small, but was still able to demonstrate the relationship between where hogs on SRS and the Cs-137 body burdens they incur. Geoprocessing the data using the average home range of wild pigs highlighted the importance of collecting additional samples from areas surrounding SRS if an accurate background is to be determined. When the average concentration of Cs-137 in pigs from background compartments is compared against that of pigs from contaminated compartments, a significant difference can be seen. A Table provides a summary of the analyzed data from the 15 years processed thus far.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Using Bayesian Networks for Sensitivity Analysis of Complex Biogeochemical Models

Sensitivity analysis is a vital tool in numerical modeling to identify important parameters and processes that contribute to the overall uncertainty in model outputs. We developed a new sensitivity analysis method to quantify the relative importance of uncertain model processes that contain multiple uncertain parameters. The method is based on the concepts of Bayesian networks (BNs) to account for complex hierarchical uncertainty structure of a model system. We derived a new set of sensitivity indices using the methodology of variance-based global sensitivity analysis with the Bayesian inference. The framework is capable of representing the detailed uncertainty information of a complex model system using BNs and affords flexible grouping of different uncertain inputs given their characteristics and dependency structures. We have implemented the method on a real-world biogeochemical model at the groundwater-surface water interface within the Hanford Site’s 300 Area. The uncertainty sources of the model were first grouped into forcing scenario and three different processes based on our understanding of the complex system. The sensitivity analysis results indicate that both the reactive transport and groundwater flow processes are important sources of uncertainty for carbon-consumption predictions. Within the groundwater flow process, the structure of geological formations is more important than the permeability heterogeneity within a given geological formation. Our new sensitivity analysis framework based on BNs offers substantial flexibility for investigating the importance of combinations of interacting uncertainty sources in a hierarchical order, and it is expected to be applicable to a wide range of multi-physics models for complex systems.

Dai, Heng↗

Hierarchical sensitivity analysis for simulating barrier island geomorphologic responses to future storms and sea-level rise

This paper presents a new application of an advanced hierarchical sensitivity analysis of a new climate model of barrier island geomorphological evolution. The implemented sensitivity analysis in this study integrates a hierarchical uncertainty framework with a variance-based global sensitivity analysis to decompose the different model input uncertainties. The analysis can provide quantitative and accurate measurements for the relative importance of uncertain model input factors while considering their dependence relationships. The climate model used in this research was the barrier island profile (BIP) model, which is a new computer code developed to simulate barrier island morphological evolution over periods ranging from years to decades under the impacts of accelerated future sea-level rise and long-term changes in the storm climate. In the application of the model, the BIP model was used to evaluate the responses of a series of barrier island cross-sections derived for Santa Rosa Island, Florida, to random storm events and five potential accelerated rates of sea-level rise projected over the next century. The uncertain model input factors thus include the scenario uncertainty caused by alternative future sea-level rise scenarios and the parametric uncertainties of random storm parameters and dune characteristics. The study results reveal that the occurrence of storms is the most important factor for the evolution of sand dunes on the barrier island and the impact of sea-level rise is essential to the morphological change of the island backshore environment. The analysis can provide helpful insights for coastal management and planning. This hierarchical sensitivity analysis is mathematically general and rigorous and can be applied to a wide range of climate models.

Dai, Heng↗

Uncertainty Quantification Framework for Predicting Material Response with Large Number of Parameters: Application to Creep Prediction in Ferritic-Martensitic Steels Using Combined Crystal Plasticity and Grain Boundary Models

This paper presents an uncertainty quantification (UQ) framework for the physics-based model prediction of material response with a large number of parameters. The application problem presented in this work is that of predicting creep in Grade 91 steel at 600°C. The material response is defined with a physically based microstructural model with constitutive equations emulating several observed phenomena in Grade 91 and embodied into an explicit geometry mesoscale finite element model for prior austenite grains and grain boundaries. Creep within the grains and in grain boundaries are represented by crystal plasticity for dislocation motion and a physics-based model for cavity growth and nucleation, respectively. The creep behavior of this material is influenced by several parameters, some of which have a wide range of variation based on experimental data. UQ combined with microstructural modeling can discover the core microstructural causes of experimental variability, leading to improved materials with lower variability in critical long-term material properties. In this study, we investigate the model's uncertainty to identify material properties that may be modified during production to increase creep life and analyze different components of the crystal plasticity model for improvements. For this purpose, a quantity of interest is defined as time to minimum creep rate, which correlates well to the creep failure of the material. A deep neural network model was trained and validated to be used as a surrogate for the finite element model. Then, a variance-based sensitivity analysis is performed on the surrogate model to find the Sobol indices of the input parameters in respect to the output quantity of interest. The Sobol indices are used to reduce the dimensionality of the model. Generalized polynomial chaos expansion is used on the reduced basis models to propagate the uncertainty from the input parameters to the quantity of interest using the deep neural network surrogate model. These results are benchmarked against uncertainty propagation using Monte Carlo simulations. In conclusion, the UQ performed through the reduced basis model captures almost all the uncertainty in the model with significantly fewer simulations, making it possible to perform the UQ directly via simulations with the finite element model rather than surrogate machine-learned models.

36 MATERIALS SCIENCE↗

Local-scale panmixia in the lichenized fungus Xanthoria parietina contrasts with substantial genetic structure in its Trebouxia photobionts

Microsatellite markers can provide valuable information about gene flow and population history. We developed and tested new microsatellites for the nitrophilic lichenized fungus Xanthoria parietina and studied its genetic diversity and structure within the urban area of Munich, Bavaria. We compared its local genetic pattern with that of its photobiont partner Trebouxia decolorans, for which existing microsatellites were applied. For comparison, a reference site with clean air was included in the sampling. We found support for three genetic clusters in the fungus X. parietina, which occurred intermingled in collecting sites. There was a high degree of admixture within fungal populations and individuals, and analysis of molecular variance revealed a lack of population structure in the mycobiont. The Trebouxia photobiont, in contrast, exhibited structured populations which grouped into two to five genetic clusters, and individuals showed less admixture than in the mycobiont. This indicates that the two lichen partners differ in their ability to move around in the landscape. The microsatellite markers we report are polymorphic and are suitable for population genetic studies.

59 BASIC BIOLOGICAL SCIENCES↗

Modeling of gap conductance for LWR fuel rods applied in the BISON code

A new gap conductance model is proposed in this study as a combination of Toptan’s model and the Ross-Stoute model. A variance-based sensitivity analysis is performed to understand how simulation results depend on all input parameters of the proposed model. Additionally, new modeling options (e.g. fill gas thermal conductivity, temperature jump distance, thermal accommodation coefficient, etc.) are added into the nuclear fuel performance code, BISON. The need for further investigation of the gap heat transfer between fuel and cladding in BISON motivated this study to evaluate its impact on the code’s predictions. New gap conductance modeling is proposed. A series of integral-effects validation tests is performed: (1) to demonstrate the impact of the proposed model on the code’s fuel temperature predictions at the beginning of life and through the reactor’s life; (2) to ensure that the proposed model is capable of accurately modeling gap heat transfer characteristics in real-world problems; and (3) to investigate the impact of the estimation of fission gas release on the fuel temperature predictions with the proposed model. Overall, the results indicate that the proposed gap conductance model improves BISON’s predictions.

42 ENGINEERING↗

A non-parametric distance-based method using all available indicators for integrated environmental assessment – a case study of the Mid-Atlantic Region, USA

The study presents a multivariate measure useful for integrated environmental assessments. It is a weighted distance measure applied to metric data but based on nonparametric statistical procedures. The proposed measure allows all environmental indicators to be used directly without any reduction in dimension (e.g. as in principal component analysis) nor losing variance while being able to tolerate possible non-normality of the indicators, as well as non-linear relationships among them. Finally, results of the hypothetical example and the Mid-Atlantic case study show that the proposed measure is suitable and valuable for integrating multiple indicators into a single index, an important task in integrated environmental assessment.

54 ENVIRONMENTAL SCIENCES↗

Enabling High-Dimensional Hierarchical Uncertainty Quantification by ANOVA and Tensor-Train Decomposition

Hierarchical uncertainty quantification can reduce the computational cost of stochastic circuit simulation by employing spectral methods at different levels. This paper presents an efficient framework to simulate hierarchically some challenging stochastic circuits/systems that include high-dimensional subsystems. Due to the high parameter dimensionality, it is challenging to both extract surrogate models at the low level of the design hierarchy and to handle them in the high-level simulation. In this paper, we develop an efficient analysis of variance-based stochastic circuit/microelectromechanical systems simulator to efficiently extract the surrogate models at the low level. In order to avoid the curse of dimensionality, we employ tensor-train decomposition at the high level to construct the basis functions and Gauss quadrature points. As a demonstration, we verify our algorithm on a stochastic oscillator with four MEMS capacitors and 184 random parameters. This challenging example is efficiently simulated by our simulator at the cost of only 10min in MATLAB on a regular personal computer.

ANOVA↗

Quantifying uncertainty and sensitivity in sea ice models

The Los Alamos Sea Ice model has a number of input parameters for which accurate values are not always well established. We conduct a variance-based sensitivity analysis of hemispheric sea ice properties to 39 input parameters. The method accounts for non-linear and non-additive effects in the model.

54 ENVIRONMENTAL SCIENCES↗

Pyrolysis Molecular Beam Mass Spectrometry_Analysis_of_Natural_Variants_of_Poplulus_Trichocarpa_Leaves

Select leaves from natural variants of Poplar (Populus Trichocarpa) grown in a greenhouse at Oak Ridge National Laboratory were analyzed by Pyrolysis-Molecular Beam Mass Spectrometry (Py-MBMS). Leaves were harvested, cryomilled and kept frozen until analysis. Py-MBMS analysis was conducted using approximately 4 mg of biomass and each sample was analyzed in duplicate. A Frontier PY2020 unit pyrolyzed samples at 500°C for 30 s in 80 µL deactivated stainless steel cups. An Extrel Super-Sonic MBMS Model Max 1000 was used to collect mass spectral data fromm/z30 to 450 at 17 eV and processed using Merlin Automation software (V3). Spectral ion intensities were normalized to the total ion chromatogram signal for each sample for analysis of spectral variance. Lignin content (wt %) was estimated based on relative responses from standards of known Klason lignin content using mean-normalized ion intensities ofm/z120, 124 (G), 137 (G), 138 (G), 150 (G), 152, 154 (S), 164 (G), 167 (S), 168 (S), 178 (G), 180, 181, 182 (S), 194 (S), 208 (S) and 210 (S) where G indicates guaiacyl-derived ions, S indicates syringyl-derived ions, and other ions either derive from other lignin monomers or multiple sources. Ratios of S and G lignin monomer units (S/G) were obtained by dividing the sum of S-based ions by the sum of G-based ions using mean-normalized ion intensities.

CBI↗