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NASA NTRS1990

Thickness and orientational design for a maximum stiff membrane

Recent results from sensitivity analysis for strain energy with anisotropic elasticity are applied to thickness and orientational design of laminated membranes. Primarily, the first order gradients of the total elastic energy are used in an optimality criteria based method. This traditional method is shown to give slow convergence with respect to design parameters, although the convergence of strain energy is very good. To get a deeper insight into this rather general characteristic, second order derivatives are included and it is shown how they can be obtained by first order sensitivity analysis. Examples of only thickness design, only orientational design, and combined thickness--orientational design are presented.

Pedersen, Pauli↗

DOE OSTI2019

WBS 4.1.2.31 Bioproduct Transition System Dynamics

Bioproducts are chemicals derived from a biomass feedstock; they can be produced on their own or as co-products of a biorefinery that also produces biofuels. Bioproducts have historically been difficult to scale up and bring to market, despite a broad understanding developed within BETO of the various conversion processes that can be used to produce bioproducts. Expanding the bioproducts industry by bringing more bioproducts to market would have a variety of positive impacts. Growth in the bioproducts industry would support the biofuels industry by enabling biorefinery co-products that yield additional revenue streams, allowing biofuel selling prices to be reduced and expanding the biofuels market. A larger bioproducts industry also has the potential to reduce carbon and other emissions associated with the U.S. chemical sector and contribute to increased price stability in some areas of the chemical market by shifting portions of the chemical sector away from reliance on fossil feedstocks. The key barrier to realizing these positive impacts is a lack of knowledge around the factors that prevent or enable bioproducts to reach the commercial market. To date, there has been essentially no research done on how successful bioproducts (commercially produced bioproducts that have captured market share) become successful, why failed bioproducts fail, and what the similarities and differences are between successful and failed bioproducts. The current project addresses this knowledge gap with a decision support tool that can be used by investors, technology developers and government agencies to bring more bioproducts to market, thereby simultaneously growing the bioproducts and biofuels industries. Development of the decision support tool was based on research on the technology development process and success rates in analogous industries, data gathered during previous BETO-funded projects, and a series of interviews with subject-matter experts within BETO, the bioproducts industry, and the investment community. This information formed a knowledge base around how bioproducts are developed from applied research to commercial scale was assembled, which was used to build the Bioproduct Transition Dynamics (BTD) model, a system dynamics (SD) model that tracks bioproduct development projects from applied research through the 'valley of death' of piloting and demoing to commercial scale production. The end-of-project goal is to release the BTD, along with supporting documentation, as a transparent open-source model that will inform decisions around bioproduct development and investments and enable more bioproducts to reach the market. The BTD takes as inputs techno-economic data on specific bioproducts, behavioral parameters for developers and investors, expectations around government support, and exogenous market factors. Model outputs include bioproduct technological progress over time, a cash flow statement for the development project, and market share estimates. Following initial model development, a sensitivity analysis was performed on a subset of model inputs to determine, first, if the BTD could be used to answer analysis questions of interest to BETO, and second, which of the inputs considered were most influential on bioproduct success. Results indicate that the BTD can be used to identify scenarios that enable bioproduct development, and that 'soft' or semi-quantitative factors play a large role in determining if a bioproduct will reach the market. A workshop was also held for subject-matter experts and prospective BTD users in July 2018. The workshop covered BTD model logic, input data and assumptions as well as the sensitivity analysis results and a discussion of potential use cases. Workshop feedback was used to identify additional model development tasks and was incorporated into a draft technical report completed in September 2018. BTD model development, validation and application will continue through 2019.

09 BIOMASS FUELS↗

DOE OSTI2019

Integrating the evidence from evidence factors in observational studies

Summary A sensitivity analysis for an observational study assesses how much bias, due to nonrandom assignment of treatment, would be necessary to change the conclusions of an analysis that assumes treatment assignment was effectively random. The evidence for a treatment effect can be strengthened if two different analyses, which could be affected by different types of biases, are both somewhat insensitive to bias. The finding from the observational study is then said to be replicated. Evidence factors allow for two independent analyses to be constructed from the same dataset. When combining the evidence factors, the Type I error rate must be controlled to obtain valid inference. A powerful method is developed for controlling the familywise error rate for sensitivity analyses with evidence factors. It is shown that the Bahadur efficiency of sensitivity analysis for the combined evidence is greater than for either evidence factor alone. The proposed methods are illustrated through a study of the effect of radiation exposure on the risk of cancer. An R package, evidenceFactors, is available from CRAN to implement the methods of the paper.

Karmakar, B.↗

NASA NTRSDate not supplied

Regenerative ECLSS and Logistics Analysis for Sustained Lunar Surface Missions

As NASA begins to develop concepts for sustained crew missions to the lunar surface, it will be essential to evaluate the logistics requirements needed to enable such missions. Lunar surface missions will involve crews of four astronauts living on the surface for periods of 30 days or longer. Astronauts will either live in a surface habitat or transfer between a habitat and a pressurized rover. The amount of logistics that must be delivered to the surface to support the crew, support the surface systems, and conduct science could be substantial. Because NASA plans to conduct these missions on an annual basis, the complexity and cost of logistics delivery will likely drive campaign sustainability. The amount of required logistics is partially a function of the ECLSS system in the habitable elements on the surface. The higher the capability of regenerative ECLSS that can be accommodated, the lower the logistics requirements. However, the increased regenerative ECLSS capabilities will also increase the initial delivery mass of elements and require additional maintenance and spares to maintain the systems. This paper describes an effort to evaluate lunar sustained logistics requirements, including sensitivity analysis for ECLSS architecture options and their impact on requirements. The authors determine logistics requirements using an integrated surface ECLSS model. The model considers different configurations of rover and habitat setups with multiple ECLSS options on both. The tool can also model gas and liquid transfer options between the habitat and the rover. The authors use the model to evaluate several different ECLSS configurations and their logistics requirements. The authors then complete a sensitivity analysis that compares logistic requirements and the initial delivery mass over increasing ECLSS capabilities. Finally, the authors make recommendations for an ECLSS architecture option that balances the tradeoffs between logistics requirements and ECLSS mass.

Environmental Control and Life Support↗

DOE OSTI2021

Coordination and control – limits in standard representations of multi-reservoir operations in hydrological modeling

Abstract. Major multi-reservoir cascades represent a primary mechanism for dealing with hydrologic variability and extremes within institutionally complex river basins worldwide. These coordinated management processes fundamentally reshape water balance dynamics. Yet, multi-reservoir coordination processes have been largely ignored in the increasingly sophisticated representations of reservoir operations within large-scale hydrological models. The aim of this paper is twofold, namely (i) to provide evidence that the common modeling practice of parameterizing each reservoir in a cascade independently from the others is a significant approximation and (ii) to demonstrate potential unintended consequences of this independence approximation when simulating the dynamics of hydrological extremes in complex reservoir cascades. We explore these questions using the Water Balance Model, which features detailed representations of the human infrastructure coupled to the natural processes that shape water balance dynamics. It is applied to the Upper Snake River basin in the western US and its heavily regulated multi-reservoir cascade. We employ a time-varying sensitivity analysis that utilizes the method of Morris factor screening to explicitly track how the dominant release rule parameters evolve both along the cascade and in time according to seasonal high- and low-flow events. This enables us to address aim (i) by demonstrating how the progressive and cumulative dominance of upstream releases significantly dampens the ability of downstream reservoir rules' parameters to influence flow conditions. We address aim (ii) by comparing simulation results with observed reservoir operations during critical low-flow and high-flow events in the basin. Our time-varying parameter sensitivity analysis with the method of Morris clarifies how independent single-reservoir parameterizations and their tacit assumption of independence leads to reservoir release behaviors that generate artificial water shortages and flooding, whereas the observed coordinated cascade operations avoided these outcomes for the same events. To further explore the role of (non-)coordination in the large deviations from the observed operations, we use an offline multi-reservoir water balance model in which adding basic coordination mechanisms drawn from the observed emergency operations is sufficient to correct the deficiencies of the independently parameterized reservoir rules from the hydrological model. These results demonstrate the importance of understanding the state–space context in which reservoir releases occur and where operational coordination plays a crucial role in avoiding or mitigating water-related extremes. Understanding how major infrastructure is coordinated and controlled in major river basins is essential for properly assessing future flood and drought hazards in a changing world.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

On the applicability of surrogate-based Markov chain Monte Carlo-Bayesian inversion to the Community Land Model: Case studies at flux tower sites: SURROGATE-BASED MCMC FOR CLM

The Community Land Model (CLM) has been widely used in climate and Earth system modeling. Accurate estimation of model parameters is needed for reliable model simulations and predictions under current and future conditions, respectively. In our previous work, a subset of hydrological parameters has been identified to have significant impact on surface energy fluxes at selected flux tower sites based on parameter screening and sensitivity analysis, which indicate that the parameters could potentially be estimated from surface flux observations at the towers. To date, such estimates do not exist. In this paper, we assess the feasibility of applying a Bayesian model calibration technique to estimate CLM parameters at selected flux tower sites under various site conditions. The parameters are estimated as a joint probability density function (PDF) that provides estimates of uncertainty of the parameters being inverted, conditional on climatologically-average latent heat fluxes derived from observations. We find that the simulated mean latent heat fluxes from CLM using the calibrated parameters are generally improved at all sites when compared to those obtained with CLM simulations using default parameter sets. Further, our calibration method also results in credibility bounds around the simulated mean fluxes which bracket the measured data. The modes (or maximum a posteriori values) and 95% credibility intervals of the site-specific posterior PDFs are tabulated as suggested parameter values for each site. Analysis of relationships between the posterior PDFs and site conditions suggests that the parameter values are likely correlated with the plant functional type, which needs to be confirmed in future studies by extending the approach to more sites.

Huang, Maoyi↗

DOE OSTI2019

Neutronic Design and Analysis of the Holos-Quad Concept

HolosGen, LLC is proposing a highly innovative micro-reactor concept targeting both civilian and military applications. It consists of an advanced helium-cooled gas reactor using a turbojet-type turbine and compressor to achieve a highly condensed reactor that fits into a commercial ISO container. The Holos-Quad concept being considered for civilian applications will generate 22MWt, using four Subcritical Power Modules (SPMs) that fit into one 40-foot ISO container. It is a high-temperature gas-cooled reactor concept using TRISO fuel distributed in graphite hexagonal blocks, cooled with helium gas at 7MPa and a high outlet temperature. In FY2019, HolosGen, LLC received an ARPA-E MEITNER grant to team up with the Argonne National Laboratory (ANL) design team to demonstrate the feasibility of the Holos-Quad concept in terms of neutronics. In particular, the evaluation study of the Holos design features and alternative options for reactivity control was considered. Through these tasks, the ANL design team has been working on demonstrating the feasibility of the Holos-Quad concept in terms of neutronics to help advance the core design of the Holos-Quad. A rigorous design approach was employed for the Holos-Quad in order to ensure that the input space is fully investigated, and that the best solutions are considered. The first step of this approach consisted of properly defining the Holos-Quad design problem by identifying the competitive design objectives: its economic performance is maximized with longer lifetime and its transportability to remote locations is maximized with reduced weight. The design problem also required to identify the operational constraints (in terms of thermal hydraulics, reactivity feedback and shutdown margins) and the input parameters that could be varied. In the second step, a sensitivity analysis was performed to enable preliminary investigation of the input space to identify the correlations among input and output variables. It allowed, for instance, to find input parameters that have relatively poor impact on the core performance and that could be removed from the optimization problem to accelerate its convergence. This sensitivity analysis showed that the design problem defined is highly constrained since only 117 solutions out of 1,000 simulated cores met all the design constraints. The design optimization was performed in the third step employing a genetic algorithm to effectively explore this highly constrained input space and find global optimal solutions. More than 2,500 cores were fully evaluated to converge to a Pareto Frontier of optimum solutions providing best compromise between the life-time target and the total core weight, as shown in Figure 1. The main benefit of this approach was to reduce the human effort and to be able to automatically re-run the optimization problem when changing the design problem. The multi-objective optimization identified various core solutions that would be optimum solutions for different types of applications.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2017

Surrogate Models for TREAT Transient Calculations

The Transient Reactor Test Facility (TREAT) at Idaho National Laboratory (INL) is currently preparing for resumption of operation after more than 20 years in a long-term standby state. In parallel with preparation for operations and a new transient testing program, the DOE-NE Advanced Modeling and Simulation program (NEAMS) has been supporting the development of three-dimensional transient multi-physics modeling capabilities within the reactor physics application MAMMOTH [1]. Recently, the MAMMOTH reactor physics team has begun development of uncertainty and sensitivity analysis for the TREAT core. This research will be used to support the analysis of reactor operation and experiment planning. Traditional approaches, i.e., Monte Carlo simulations, for such tasks require a large number of model evaluations under both steady state and transient conditions. However, exhaustive sets of sampling runs are simply not practical here since evaluations of each model can take a substantial amount of time. A solution to this problem is to build a surrogate model employing a smaller number of model evaluations. The surrogate model is designed to provide an accurate and fast approximation to the detailed TREAT model. In this manner, the surrogate model can be used in place of the TREAT transient model for uncertainty and sensitivity analysis at a fraction of the computational cost. The high dimensional model representation (HDMR) [2] method is employed here for approximating the responses of interest in terms of functions of lower dimensions. This method has been implemented in RAVEN [3] and all TREAT transient calculations are performed using the multiphysics code MAMMOTH. In addition, a code interface has also been developed in order to couple RAVEN with MAMMOTH. The surrogate model is then tested and compared for the MAMMOTH model of the TREAT startup testing program Transient Test #15 core [4], and its accuracy is measured by its ability to estimate the mean, coefficient of variance, skewness, excess kurtosis and probability density function of the outputs of Transient Test #15 model, as well as root mean square error metric.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Dynamics of Fungal and Bacterial Biomass Carbon in Natural Ecosystems: Site-level Applications of the CLM-Microbe Model

Explicitly representing microbial processes has been recognized as a key improvement to Earth system models for the realistic projections of soil carbon (C) and climate dynamics. The CLM-Microbe model builds upon the CLM4.5 and explicitly represents two major soil microbial groups, fungi and bacteria. Based on the compiled time-series data of fungal (FBC) and bacterial (BBC) biomass C from nine biomes, we parameterized and validated the CLM-Microbe model, and further conducted sensitivity analysis and uncertainty analysis for simulating C cycling. The model performance was evaluated with mean absolute error (MAE), root mean square error (RMSE), and coefficient of determination (R2) for relative change in FBC and BBC. The CLM-Microbe model is able to reasonably capture the seasonal dynamics of FBC and BBC across biomes, particularly for tropical/subtropical forest, temperate broadleaf forest, and grassland, with MAE < 0.49 for FBC and <0.36 for BBC and RMSE <0.52 FBC and <0.39 for BBC, while R2 values are relatively smaller in some biomes (e.g., shrub) due to small sample sizes. We found good consistencies between simulated and observed FBC (R 2 =0.70, P<0.001) and BBC (R 2 =0.26, P<0.05) on average across biomes, but the model is not able to fully capture the large variation in observed FBC and BBC. Sensitivity analysis shows the most critical parameters are turnover rate, carbon-to-nitrogen ratio of fungi and bacteria, and microbial assimilation efficiency. This study confirms that the explicit representation of soil microbial mechanisms enhances model performance in simulating C variables such as heterotrophic respiration and soil organic C density. The further application of the CLM-Microbe model would deepen our understanding of microbial contributions to the global C cycle.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Uncertainty quantification for generalized Langevin dynamics

Here, we present efficient finite difference estimators for goal-oriented sensitivity indices with applications to the generalized Langevin equation (GLE). In particular, we apply these estimators to analyze an extended variable formulation of the GLE where other well known sensitivity analysis techniques such as the likelihood ratio method are not applicable to key parameters of interest. These easily implemented estimators are formed by coupling the nominal and perturbed dynamics appearing in the finite difference through a common driving noise or common random path. After developing a general framework for variance reduction via coupling, we demonstrate the optimality of the common random path coupling in the sense that it produces a minimal variance surrogate for the difference estimator relative to sampling dynamics driven by independent paths. In order to build intuition for the common random path coupling, we evaluate the efficiency of the proposed estimators for a comprehensive set of examples of interest in particle dynamics. These reduced variance difference estimators are also a useful tool for performing global sensitivity analysis and for investigating non-local perturbations of parameters, such as increasing the number of Prony modes active in an extended variable GLE.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Integrated Crewed Mars Mission Analysis, Part II: The Trajectory Strikes Back

Crewed missions to Mars present a challenging problem involving strong interactions between a variety of spacecraft systems. Design and architecture decisions made by one system can have powerful implications for another. Siloed subsystem development and optimization efforts are unlikely to generate optimal results for the integrated system and may lead to counterproductive investments at the mission and system level. Mismatched assumptions between different subsystems can also negatively impact the final result. Integrated systems analysis, trade studies, and sensitivity analysis are a critical element of successful Mars mission design. Previous work examined the linkages between Environmental Control and Life Support System (ECLSS) loop closure, food water content, spares Probability of Sufficiency (POS), and other factors by performing an integrated mass and cost assessment of a variety of Mars habitat and transportation system designs. This paper expands upon that work by evaluating the impact of mission duration, trajectory, and propulsion technology alongside key habitat variables. Transportation system and trajectory design decisions have enormous impacts on overall system mass, and the impacts of those decisions are themselves sensitive to the mass of the habitat that is being transported. This paper examines a variety of mission cases and evaluates total departure mass for each case. An estimate of relative costs for specific cases is also provided. The results are discussed, with an emphasis on the sensitivity of mass, cost, and other figures of merit to key parameters. Interactions and dependencies between various decisions, particularly those that relate to technology investments, are also highlighted. Overall, the various elements, systems, and subsystems required to support human spaceflight should not be optimized and evaluated in isolation, but instead should be analyzed as part of an integrated system. This paper demonstrates how integrated analysis can improve system understanding and lead to more optimal and effective crewed exploration systems.

Human Spaceflight↗

NASA NTRSDate not supplied

Integrated Crewed Mars Mission Analysis, Part II: The Trajectory Strikes Back

Human Spaceflight↗

DOE OSTI2016

DESIGN CHARACTERISTICS OF THE IDAHO NATIONAL LABORATORY HIGH-TEMPERATURE GAS-COOLED TEST REACTOR

Uncertainty and sensitivity analysis is an indispensable element of any substantial attempt in reactor simulation validation. The quantification of uncertainties in nuclear engineering has grown more important and the IAEA Coordinated Research Program (CRP) on High-Temperature Gas Cooled Reactor (HTGR) initiated in 2012 aims to investigate the various uncertainty quantification methodologies for this type of reactors. The first phase of the CRP is dedicated to the estimation of cell and lattice model uncertainties due to the neutron cross sections co-variances. Phase II is oriented towards the investigation of propagated uncertainties from the lattice to the coupled neutronics/thermal hydraulics core calculations. Nominal results for the prismatic single block (Ex.I-2a) and super cell models (Ex.I-2c) have been obtained using the SCALE 6.1.3 two-dimensional lattice code NEWT coupled to the TRITON sequence for cross section generation. In this work, the TRITON/NEWT-flux-weighted cross sections obtained for Ex.I-2a and various models of Ex.I-2c is utilized to perform a sensitivity analysis of the MHTGR-350 core power densities and eigenvalues. The core solutions are obtained with the INL coupled code PHISICS/RELAP5-3D, utilizing a fixed-temperature feedback for Ex. II-1a.. It is observed that the core power density does not vary significantly in shape, but the magnitude of these variations increases as the moderator-to-fuel ratio increases in the super cell lattice models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2008

Uncertainty and Sensitivity Analyses of a Two-Parameter Impedance Prediction Model

This paper presents comparisons of predicted impedance uncertainty limits derived from Monte-Carlo-type simulations with a Two-Parameter (TP) impedance prediction model and measured impedance uncertainty limits based on multiple tests acquired in NASA Langley test rigs. These predicted and measured impedance uncertainty limits are used to evaluate the effects of simultaneous randomization of each input parameter for the impedance prediction and measurement processes. A sensitivity analysis is then used to further evaluate the TP prediction model by varying its input parameters on an individual basis. The variation imposed on the input parameters is based on measurements conducted with multiple tests in the NASA Langley normal incidence and grazing incidence impedance tubes; thus, the input parameters are assigned uncertainties commensurate with those of the measured data. These same measured data are used with the NASA Langley impedance measurement (eduction) processes to determine the corresponding measured impedance uncertainty limits, such that the predicted and measured impedance uncertainty limits (95% confidence intervals) can be compared. The measured reactance 95% confidence intervals encompass the corresponding predicted reactance confidence intervals over the frequency range of interest. The same is true for the confidence intervals of the measured and predicted resistance at near-resonance frequencies, but the predicted resistance confidence intervals are lower than the measured resistance confidence intervals (no overlap) at frequencies away from resonance. A sensitivity analysis indicates the discharge coefficient uncertainty is the major contributor to uncertainty in the predicted impedances for the perforate-over-honeycomb liner used in this study. This insight regarding the relative importance of each input parameter will be used to guide the design of experiments with test rigs currently being brought on-line at NASA Langley.

Jones, M. G.↗

DOE OSTI2019

Parametric Optimization Problem Formulation for Connected Hybrid Electric Vehicles using Neural Network based Equivalent Model

The dynamics of powertrain control systems are complicated and involve both nonlinear plant model and control functionalities, albeit they are well defined and formulated using first principle approaches. This constitutes difficulties in exploring implementable optimal tuning rules for some selected control parameters using vehicle-to-vehicle (V2V) communications. This paper presents a way to use neural networks (NN) to represent the problem of parameter tuning for optimizing fuel consumption. For this purpose, physical modelling and validation have been firstly performed for the closed loop powertrain system of the concerned vehicle for some given driving cycles. This is then followed by the sensitivity analysis that selects most influential control parameters to optimize. Using the data generated from the obtained physical models, an equivalent NN formulation has finally been obtained that gives simple yet unified objectives and constraints ready to be used to solve the optimization problem that produces optimal tuning rules for the selected control parameters to minimize fuel consumption.

Parameter optimization, V2X, Powertrain modeling↗

DOE OSTI2023

Voltage-Based Strategies for Preventing Battery Degradation under Diverse Fast-Charging Conditions

Maintaining safe operating conditions is a key challenge for high-performance lithium-ion battery applications. The lithium-plating reaction remains a risk during charging, but limited studies consider the highly variable charging conditions possible in commercial cells. Here we combine pseudo-2D electrochemical modeling with data visualization methods to reveal important relationships between the measurable cell voltage and difficult-to-predict Li-plating onset criteria. An extensively validated model is used to compute Li plating for thousands of multistep charging conditions spanning diverse rates, temperatures, states-of-charge, and cell aging. Here we observe an empirical cell operating voltage limit below which plating does not occur across all conditions, and this limit varies with the battery state-of-charge and aging. A model sensitivity analysis also indicates that, when comparing two charging voltage profiles, the capacity difference at 4.0 V correlates well with the difference in the plating onset capacity. These results encourage simple strategies for Li-plating prevention that are complementary to existing battery controls.

25 ENERGY STORAGE↗

DOE OSTI2020

Sensitivity and Uncertainty Quantification of Transition Scenario Simulations

This report documents the first collective attempt at developing and applying capabilities to quantify uncertainties, assess parametric sensitivities, and optimize multiple parameters and metrics in fuel cycle simulations generated by the SA&I Campaign. To do this, external codes that were designed to perform sensitivity analysis and uncertainty quantification (SA&UQ) needed to be coupled to the SA&I Campaign’s nuclear fuel cycle simulators (NFCS). In FY20, two approaches were pursued: 1) coupling Cyclus to an ORNL-internal code called MOT (Metaheuristic Optimization Tool) and 2) coupling DYMOND to the opensource SA&UQ tool kit Dakota. The primary objective of having these NFCS/SA&UQ coupled capabilities is to better inform DOE-NE and other stakeholders on the results generated from the NFCS. For a given set of fuel cycle strategies, policies, and technology assumptions that make up a fuel cycle scenario, these NFCS have traditionally been used by the SA&I Campaign to provide quantitative answers in terms of year-by-year mass flows, infrastructure requirements, costs, etc. With these newly developed coupled capabilities, the SA&I Campaign can now efficiently simulate hundreds or thousands of these scenarios, sample large ranges of parameters and assumptions, and use the unique features of the SA&UQ tools to process the data. This enables providing answers with known and propagated uncertainties, determining the sensitivity of important metrics to different parameters and assumptions, quantifying how much fuel cycle and technology parameters impact each other, and producing optimized fuel cycle strategies for single and multiple variables. To demonstrate these new capabilities, the Cyclus/MOT was used to model several scenarios ranging from simple fleet retirements to transitions to advanced reactors. Specifically, for a transition scenario from LWRs to SFRs and advanced LWRs, uncertainty quantification, sensitivity analysis, and optimization studies were applied to cases involving single and multiple parameter (input) and single and multiple metric (output) variations. In addition, a similar transition scenario was modeled to demonstrate how to optimize the reprocessing capacity parameter to minimize two performance metrics while taking into account uncertainties from two other parameters. Lastly, a depletion module based on SCALE/ORIGEN was added in Cyclus to simulate the third scenario that was designed to quantify the impact of the modeling assumption that all LWR used nuclear fuel have the same burnup. The newly developed DYMOND/Dakota capability was also applied to a transition scenario from the existing fleet to small modular reactors and fast reactors. This particular scenario involves not only explicit isotopic depletion via ORIGEN-2, but also includes multirecycling and utilizing the criticality search feature to determine the fresh fuel composition of recycled fuel, a feature unique to the DYMOND NFCS. A large database of simulations were run with 4 main parameters that were sampled: start date of reprocessing, reprocessing capacity, energy demand growth rate, and advanced reactor share of the fleet. The 4 main metrics were uranium consumption, enrichment requirements, waste generation, and levelized cost of electricity using data from the Cost Basis Report. The demonstrated SA&UQ results include those that inform on how to choose parameters to avoid “failed” scenarios, Sobol’ indices that inform on the importance of various parameters individually and synergistically, and Analysis of Variance (ANOVA) studies that decompose parameter ranges into groups and informs on whether variations are statistically significant.

Feng, B.↗

DOE OSTI2015

A new surrogate modeling technique combining Kriging and polynomial chaos expansions – Application to uncertainty analysis in computational dosimetry

In numerical dosimetry, the recent advances in high performance computing led to a strong reduction of the required computational time to assess the specific absorption rate (SAR) characterizing the human exposure to electromagnetic waves. However, this procedure remains time-consuming and a single simulation can request several hours. As a consequence, the influence of uncertain input parameters on the SAR cannot be analyzed using crude Monte Carlo simulation. The solution presented here to perform such an analysis is surrogate modeling. This paper proposes a novel approach to build such a surrogate model from a design of experiments. Considering a sparse representation of the polynomial chaos expansions using least-angle regression as a selection algorithm to retain the most influential polynomials, this paper proposes to use the selected polynomials as regression functions for the universal Kriging model. The leave-one-out cross validation is used to select the optimal number of polynomials in the deterministic part of the Kriging model. The proposed approach, called LARS-Kriging-PC modeling, is applied to three benchmark examples and then to a full-scale metamodeling problem involving the exposure of a numerical fetus model to a femtocell device. The performances of the LARS-Kriging-PC are compared to an ordinary Kriging model and to a classical sparse polynomial chaos expansion. The LARS-Kriging-PC appears to have better performances than the two other approaches. A significant accuracy improvement is observed compared to the ordinary Kriging or to the sparse polynomial chaos depending on the studied case. This approach seems to be an optimal solution between the two other classical approaches. A global sensitivity analysis is finally performed on the LARS-Kriging-PC model of the fetus exposure problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗